#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg5 s ILE 37 N 0.00 3.51 -0.27 -0.39 1.01 -1.26 -5.02 121.20 118.77 3bg5 s ILE 37 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 3bg5 s ILE 37 Cb 0.00 -2.51 -0.12 0.00 0.01 0.00 0.00 42.46 39.85 3bg5 s ILE 37 CO 0.00 0.51 -0.36 0.29 0.00 0.00 0.00 174.94 175.39 3bg5 n LYS 38 N 3.46 0.59 -4.19 2.79 5.02 -1.26 -4.83 118.16 119.73 3bg5 n LYS 38 Ca -0.18 0.26 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 3bg5 n LYS 38 Cb 0.53 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 3bg5 n LYS 38 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3bg5 s LYS 39 N -2.54 0.49 -0.07 1.97 -2.85 -1.26 -1.45 119.74 114.03 3bg5 s LYS 39 Ca -0.38 -0.25 0.03 0.00 -1.00 0.00 0.00 55.97 54.37 3bg5 s LYS 39 Cb 0.14 -0.46 0.01 0.00 -2.06 0.00 0.00 37.83 35.45 3bg5 s LYS 39 CO 0.49 0.13 -0.16 -1.17 0.10 0.00 0.00 175.35 174.73 3bg5 s LEU 40 N -0.23 1.83 -0.11 2.77 0.20 0.12 -2.49 118.68 120.77 3bg5 s LEU 40 Ca 0.02 -0.38 -0.04 0.00 0.69 0.00 0.00 54.13 54.43 3bg5 s LEU 40 Cb -0.03 -1.00 -0.03 0.00 -0.43 0.00 0.00 46.19 44.69 3bg5 s LEU 40 CO -0.00 0.10 0.03 -0.22 -0.29 0.00 0.00 176.35 175.97 3bg5 s LEU 41 N 0.41 3.74 -0.29 -0.68 0.20 -0.08 -0.33 118.68 121.65 3bg5 s LEU 41 Ca -0.13 0.18 -0.14 0.00 0.69 0.00 0.00 54.13 54.73 3bg5 s LEU 41 Cb -0.15 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 3bg5 s LEU 41 CO 0.05 0.35 0.34 -0.69 -0.29 0.00 0.00 176.35 176.11 3bg5 s VAL 42 N -0.70 5.19 -0.03 1.68 1.01 -0.68 -0.79 120.40 126.07 3bg5 s VAL 42 Ca 0.11 0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 3bg5 s VAL 42 Cb -0.12 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.42 3bg5 s VAL 42 CO 0.02 0.11 2.96 0.00 0.00 0.00 0.00 175.10 178.20 3bg5 n ALA 43 N 5.31 5.51 -3.87 5.51 0.00 -0.00 -4.02 120.51 128.95 3bg5 n ALA 43 Ca -0.09 -1.25 -0.06 0.00 0.00 0.00 0.00 53.44 52.03 3bg5 n ALA 43 Cb 0.51 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3bg5 n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bg5 n ASN 44 N 1.99 -1.81 -1.17 0.00 5.15 -1.26 -4.73 115.26 113.43 3bg5 n ASN 44 Ca 0.28 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.60 3bg5 n ASN 44 Cb 0.74 3.13 0.00 0.00 -0.53 0.00 0.00 39.78 43.12 3bg5 n ASN 44 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3bg5 n ARG 45 N -0.53 0.56 0.00 1.20 1.85 -1.26 -4.53 116.66 113.95 3bg5 n ARG 45 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 3bg5 n ARG 45 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 3bg5 n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3bg5 n GLY 46 N 1.31 0.23 0.27 2.89 0.00 -1.26 -3.21 105.19 105.42 3bg5 n GLY 46 Ca 0.00 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.22 3bg5 n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bg5 h GLU 47 N 0.00 0.00 -0.24 1.61 -0.00 -1.86 -1.67 114.58 112.41 3bg5 h GLU 47 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.24 3bg5 h GLU 47 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 3bg5 h GLU 47 CO 0.00 0.01 -0.36 0.97 -0.00 0.00 0.00 179.01 179.63 3bg5 h ILE 48 N 0.00 1.29 -0.07 -1.06 6.09 -1.92 -1.23 117.51 120.61 3bg5 h ILE 48 Ca -0.00 -1.48 -0.01 0.00 -1.37 0.00 0.00 64.86 62.00 3bg5 h ILE 48 Cb 0.01 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 38.79 3bg5 h ILE 48 CO 0.00 0.47 0.02 0.00 -3.07 0.00 0.00 178.15 175.57 3bg5 h ALA 49 N 1.16 0.10 -0.41 0.18 0.00 -1.27 -1.29 119.26 117.74 3bg5 h ALA 49 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3bg5 h ALA 49 Cb 0.83 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 3bg5 h ALA 49 CO 0.07 -0.28 -0.08 0.82 0.00 0.00 0.00 179.25 179.77 3bg5 h ILE 50 N -0.08 0.61 -0.40 0.00 2.04 -1.43 -0.18 117.51 118.06 3bg5 h ILE 50 Ca 0.02 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3bg5 h ILE 50 Cb 0.23 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3bg5 h ILE 50 CO -0.00 0.00 0.12 -0.09 0.00 0.00 0.00 178.15 178.18 3bg5 h ARG 51 N 0.02 0.26 -0.58 2.37 9.65 -1.05 -0.70 114.38 124.35 3bg5 h ARG 51 Ca 0.20 -0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.99 3bg5 h ARG 51 Cb 0.30 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 3bg5 h ARG 51 CO -0.40 0.17 0.09 0.82 2.80 0.00 0.00 179.97 183.44 3bg5 h ILE 52 N 0.27 1.26 -0.61 1.20 2.04 -0.79 -1.06 117.51 119.81 3bg5 h ILE 52 Ca 0.19 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.09 3bg5 h ILE 52 Cb 0.19 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3bg5 h ILE 52 CO -0.21 0.36 0.38 -0.26 0.00 0.00 0.00 178.15 178.41 3bg5 h PHE 53 N 0.85 0.70 -0.46 1.37 0.05 -0.53 0.83 116.94 119.76 3bg5 h PHE 53 Ca 0.17 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 3bg5 h PHE 53 Cb 0.42 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 38.12 3bg5 h PHE 53 CO 0.03 0.40 0.21 0.00 -0.18 0.00 0.00 178.31 178.78 3bg5 h ARG 54 N 0.74 0.67 -0.77 1.51 3.08 -0.96 0.18 114.38 118.84 3bg5 h ARG 54 Ca 0.24 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3bg5 h ARG 54 Cb 0.02 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 3bg5 h ARG 54 CO -0.10 0.58 0.50 0.00 -1.07 0.00 0.00 179.97 179.88 3bg5 h ALA 55 N 1.05 0.97 -0.19 0.04 0.00 -0.73 -1.66 119.26 118.74 3bg5 h ALA 55 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3bg5 h ALA 55 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3bg5 h ALA 55 CO -0.02 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 3bg5 h ALA 56 N 1.28 0.27 -0.62 0.00 0.00 -0.48 -2.70 119.26 117.00 3bg5 h ALA 56 Ca 0.28 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3bg5 h ALA 56 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3bg5 h ALA 56 CO -0.06 0.06 0.42 0.00 0.00 0.00 0.00 179.25 179.67 3bg5 h ALA 57 N 0.72 2.05 0.00 0.00 0.00 -0.49 0.12 119.26 121.65 3bg5 h ALA 57 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3bg5 h ALA 57 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3bg5 h ALA 57 CO 0.02 -0.19 0.00 0.93 0.00 0.00 0.00 179.25 180.01 3bg5 h GLU 58 N 0.39 0.00 -0.32 0.00 5.08 -0.97 -2.50 114.58 116.25 3bg5 h GLU 58 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3bg5 h GLU 58 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3bg5 h GLU 58 CO -0.08 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.21 3bg5 n LEU 59 N -2.38 3.69 -3.90 1.33 4.77 0.27 -4.97 117.00 115.81 3bg5 n LEU 59 Ca 0.02 -2.64 -0.26 0.00 -0.03 0.00 0.00 56.01 53.10 3bg5 n LEU 59 Cb 0.25 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3bg5 n LEU 59 CO 0.22 0.70 -0.12 0.47 -1.33 0.00 0.00 177.39 177.32 3bg5 n ASP 60 N -0.03 -1.37 -4.42 -1.43 9.92 -0.94 -5.00 116.55 113.28 3bg5 n ASP 60 Ca 0.19 -0.92 -0.34 0.00 -0.53 0.00 0.00 54.79 53.18 3bg5 n ASP 60 Cb 0.75 -3.43 -0.13 0.00 -0.64 0.00 0.00 41.12 37.67 3bg5 n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3bg5 s ILE 61 N -3.73 3.60 0.42 0.53 1.01 -0.28 -4.96 121.20 117.78 3bg5 s ILE 61 Ca 0.15 -0.45 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 3bg5 s ILE 61 Cb -0.08 -2.59 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 3bg5 s ILE 61 CO 0.86 0.47 1.36 -0.55 0.00 0.00 0.00 174.94 177.09 3bg5 s SER 62 N 0.72 6.15 0.15 3.58 0.15 -0.53 -3.86 113.70 120.07 3bg5 s SER 62 Ca -0.03 2.78 0.10 0.00 0.70 0.00 0.00 55.95 59.51 3bg5 s SER 62 Cb -0.15 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.48 3bg5 s SER 62 CO 0.02 -0.97 -0.24 0.42 1.20 0.00 0.00 173.24 173.67 3bg5 s THR 63 N -1.23 2.16 -0.05 6.45 -4.23 -1.26 0.15 115.64 117.63 3bg5 s THR 63 Ca 0.58 -1.85 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 3bg5 s THR 63 Cb -0.41 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.49 3bg5 s THR 63 CO 0.53 -0.06 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.82 3bg5 s VAL 64 N -1.43 0.49 -0.11 2.29 1.01 0.55 -1.85 120.40 121.35 3bg5 s VAL 64 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 3bg5 s VAL 64 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3bg5 s VAL 64 CO 0.07 0.23 0.08 0.00 0.00 0.00 0.00 175.10 175.47 3bg5 s ALA 65 N 1.10 3.60 -0.09 5.51 0.00 0.13 -1.69 121.76 130.30 3bg5 s ALA 65 Ca -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 3bg5 s ALA 65 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 3bg5 s ALA 65 CO -0.01 0.58 0.02 0.96 0.00 0.00 0.00 175.76 177.31 3bg5 s ILE 66 N -0.88 4.50 0.03 0.00 -4.36 -1.26 -1.81 121.20 117.43 3bg5 s ILE 66 Ca 0.14 -0.17 0.02 0.00 -0.26 0.00 0.00 60.65 60.37 3bg5 s ILE 66 Cb -0.12 -2.91 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 3bg5 s ILE 66 CO 0.03 0.60 -0.07 -0.72 0.24 0.00 0.00 174.94 175.02 3bg5 s TYR 67 N -0.85 0.61 0.31 1.37 1.13 -0.83 -4.75 117.35 114.34 3bg5 s TYR 67 Ca 0.13 -0.44 -0.05 0.00 -1.41 0.00 0.00 57.07 55.30 3bg5 s TYR 67 Cb -0.11 -0.37 0.07 0.00 -1.10 0.00 0.00 41.96 40.45 3bg5 s TYR 67 CO 0.02 -0.08 0.42 -1.13 -2.51 0.00 0.00 175.55 172.28 3bg5 n SER 68 N 1.69 0.09 0.20 -0.18 3.41 -1.26 -0.55 113.62 117.02 3bg5 n SER 68 Ca -0.21 -1.19 0.09 0.00 -0.26 0.00 0.00 58.87 57.29 3bg5 n SER 68 Cb 0.55 -0.32 0.24 0.00 -0.26 0.00 0.00 64.21 64.42 3bg5 n SER 68 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3bg5 h ASN 69 N -0.52 0.00 0.26 4.04 -0.00 -1.85 -3.15 115.58 114.36 3bg5 h ASN 69 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.16 3bg5 h ASN 69 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.71 3bg5 h ASN 69 CO 0.10 0.22 -1.23 -0.62 -0.00 0.00 0.00 177.43 175.91 3bg5 n GLU 70 N -3.21 0.31 -0.91 6.67 1.02 -1.26 -4.09 120.64 119.17 3bg5 n GLU 70 Ca 0.02 -0.04 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 3bg5 n GLU 70 Cb 0.55 -1.56 0.28 0.00 -0.02 0.00 0.00 31.44 30.69 3bg5 n GLU 70 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3bg5 n ASP 71 N -1.94 4.59 0.32 1.62 8.00 -1.19 -4.30 116.55 123.65 3bg5 n ASP 71 Ca 0.01 -3.06 0.20 0.00 0.71 0.00 0.00 54.79 52.65 3bg5 n ASP 71 Cb 0.44 -0.72 1.08 0.00 -0.02 0.00 0.00 41.12 41.90 3bg5 n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3bg5 h LYS 72 N 2.48 0.00 -0.08 -1.24 1.79 -1.70 -2.76 116.57 115.06 3bg5 h LYS 72 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3bg5 h LYS 72 Cb 2.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.80 3bg5 h LYS 72 CO 0.65 0.01 0.00 0.43 -1.08 0.00 0.00 179.45 179.46 3bg5 n SER 73 N -3.28 1.93 -4.68 0.86 7.64 -1.26 -5.01 113.62 109.82 3bg5 n SER 73 Ca -0.03 -1.66 -0.42 0.00 1.01 0.00 0.00 58.87 57.77 3bg5 n SER 73 Cb 0.11 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3bg5 n SER 73 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3bg5 s SER 74 N -0.73 6.65 0.38 6.43 0.15 -1.04 -4.89 113.70 120.65 3bg5 s SER 74 Ca 0.07 2.39 0.21 0.00 0.70 0.00 0.00 55.95 59.32 3bg5 s SER 74 Cb 0.04 -2.56 1.27 0.00 -1.71 0.00 0.00 66.02 63.07 3bg5 s SER 74 CO 0.05 -0.86 1.63 0.25 1.20 0.00 0.00 173.24 175.51 3bg5 h LEU 75 N 8.78 0.37 -1.76 3.45 6.46 -1.90 -0.94 115.31 129.77 3bg5 h LEU 75 Ca -0.41 0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 3bg5 h LEU 75 Cb 1.19 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 3bg5 h LEU 75 CO 0.93 -0.24 0.23 1.12 -0.62 0.00 0.00 178.44 179.86 3bg5 h HIS 76 N 0.15 0.31 -0.72 1.25 2.07 -1.90 -1.43 115.15 114.87 3bg5 h HIS 76 Ca 0.79 0.01 0.11 0.00 -2.85 0.00 0.00 60.37 58.43 3bg5 h HIS 76 Cb 2.13 -0.10 -0.05 0.00 2.57 0.00 0.00 27.41 31.96 3bg5 h HIS 76 CO -0.01 0.18 0.48 -0.09 -3.07 0.00 0.00 177.93 175.42 3bg5 h ARG 77 N 0.32 0.54 0.00 5.12 2.43 -1.47 -2.92 114.38 118.39 3bg5 h ARG 77 Ca 0.15 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.07 3bg5 h ARG 77 Cb 0.18 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3bg5 h ARG 77 CO -0.03 0.36 -1.47 1.88 -1.51 0.00 0.00 179.97 179.19 3bg5 h TYR 78 N 0.55 0.00 -0.02 2.20 -1.99 -1.42 -3.37 116.97 112.92 3bg5 h TYR 78 Ca 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 3bg5 h TYR 78 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 3bg5 h TYR 78 CO -0.00 0.75 0.01 1.63 -0.00 0.00 0.00 178.16 180.55 3bg5 n LYS 79 N -2.98 1.02 -4.17 4.88 4.76 -1.10 -4.81 118.16 115.76 3bg5 n LYS 79 Ca -0.12 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.17 3bg5 n LYS 79 Cb 0.92 -1.02 -0.10 0.00 -1.84 0.00 0.00 35.03 32.99 3bg5 n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bg5 s ALA 80 N -0.06 0.95 0.17 7.82 0.00 -1.26 -4.84 121.76 124.55 3bg5 s ALA 80 Ca 0.01 -1.47 0.06 0.00 0.00 0.00 0.00 51.96 50.56 3bg5 s ALA 80 Cb 0.01 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3bg5 s ALA 80 CO 0.00 -0.43 1.40 -0.44 0.00 0.00 0.00 175.76 176.29 3bg5 h ASP 81 N 2.85 0.10 -3.90 0.00 3.45 -1.85 -3.45 116.42 113.63 3bg5 h ASP 81 Ca -0.35 -0.09 -0.39 0.00 0.43 0.00 0.00 57.03 56.63 3bg5 h ASP 81 Cb 1.19 -0.03 -0.30 0.00 -0.56 0.00 0.00 39.33 39.63 3bg5 h ASP 81 CO 0.61 0.91 -0.78 -1.61 -1.57 0.00 0.00 179.24 176.81 3bg5 s GLU 82 N -3.12 0.75 -0.09 3.56 2.02 -0.77 -5.00 118.70 116.06 3bg5 s GLU 82 Ca -0.01 -0.27 0.04 0.00 0.02 0.00 0.00 54.97 54.74 3bg5 s GLU 82 Cb 0.11 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.62 3bg5 s GLU 82 CO 0.81 0.13 -0.21 -1.12 0.02 0.00 0.00 175.26 174.89 3bg5 s SER 83 N 0.03 2.74 -0.00 -0.19 0.01 -1.26 0.18 113.70 115.20 3bg5 s SER 83 Ca -0.00 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3bg5 s SER 83 Cb -0.06 -1.26 -0.00 0.00 0.21 0.00 0.00 66.02 64.92 3bg5 s SER 83 CO -0.00 0.13 -0.02 -0.31 0.41 0.00 0.00 173.24 173.45 3bg5 s TYR 84 N 0.43 0.20 0.08 2.43 1.51 -0.75 -4.99 117.35 116.26 3bg5 s TYR 84 Ca -0.18 -0.03 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 3bg5 s TYR 84 Cb -0.17 -0.14 -0.05 0.00 -0.11 0.00 0.00 41.96 41.49 3bg5 s TYR 84 CO 0.08 -0.01 1.07 -1.17 -1.11 0.00 0.00 175.55 174.40 3bg5 s LEU 85 N -0.00 4.42 -0.49 -1.29 2.96 -1.26 -1.96 118.68 121.06 3bg5 s LEU 85 Ca 0.00 1.89 -0.18 0.00 -0.22 0.00 0.00 54.13 55.62 3bg5 s LEU 85 Cb -0.01 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.15 3bg5 s LEU 85 CO -0.00 -0.27 0.57 -0.69 -1.32 0.00 0.00 176.35 174.64 3bg5 s VAL 86 N 0.52 4.95 -0.05 1.68 1.01 0.29 -4.82 120.40 123.98 3bg5 s VAL 86 Ca 0.52 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 3bg5 s VAL 86 Cb -0.26 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.89 3bg5 s VAL 86 CO 0.30 -0.73 0.07 0.61 0.00 0.00 0.00 175.10 175.35 3bg5 n GLY 87 N 5.17 -1.73 0.14 4.51 0.00 -1.26 -4.64 105.19 107.38 3bg5 n GLY 87 Ca -0.07 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.44 3bg5 n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bg5 h SER 88 N 4.65 0.00 -0.01 1.61 4.64 -1.97 -3.15 113.55 119.32 3bg5 h SER 88 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3bg5 h SER 88 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3bg5 h SER 88 CO 0.00 0.55 -0.01 -0.90 -0.87 0.00 0.00 176.83 175.60 3bg5 n ASP 89 N -3.35 1.61 -3.96 4.97 5.68 -1.26 -4.60 116.55 115.64 3bg5 n ASP 89 Ca 0.01 -1.52 -0.31 0.00 -0.50 0.00 0.00 54.79 52.47 3bg5 n ASP 89 Cb 0.70 0.01 -0.15 0.00 -1.14 0.00 0.00 41.12 40.54 3bg5 n ASP 89 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3bg5 s LEU 90 N -2.02 4.32 0.16 -2.12 0.20 -1.19 -5.10 118.68 112.94 3bg5 s LEU 90 Ca 0.37 -2.41 -0.26 0.00 0.69 0.00 0.00 54.13 52.52 3bg5 s LEU 90 Cb 0.21 -1.54 -0.16 0.00 -0.43 0.00 0.00 46.19 44.27 3bg5 s LEU 90 CO 0.34 -0.33 0.52 0.61 -0.29 0.00 0.00 176.35 177.20 3bg5 n GLY 91 N 3.91 -1.44 0.06 7.98 0.00 -1.26 -4.34 105.19 110.09 3bg5 n GLY 91 Ca 0.04 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.42 3bg5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bg5 n PRO 92 N 0.95 0.02 -0.10 1.61 -0.04 -1.26 0.25 135.00 136.43 3bg5 n PRO 92 Ca 0.16 0.30 -0.11 0.00 -0.04 0.00 0.00 63.50 63.81 3bg5 n PRO 92 Cb 0.21 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 3bg5 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bg5 h ALA 93 N 0.63 0.41 0.00 0.55 0.00 -1.98 -3.35 119.26 115.53 3bg5 h ALA 93 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bg5 h ALA 93 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3bg5 h ALA 93 CO 0.00 0.18 -1.38 0.39 0.00 0.00 0.00 179.25 178.44 3bg5 n GLU 94 N -4.54 0.61 -0.10 0.00 1.02 0.14 -4.74 120.64 113.03 3bg5 n GLU 94 Ca -0.03 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 3bg5 n GLU 94 Cb 0.28 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3bg5 n GLU 94 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3bg5 h SER 95 N 0.00 -0.69 0.01 1.62 4.64 -1.64 -1.56 113.55 115.94 3bg5 h SER 95 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3bg5 h SER 95 Cb 0.99 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3bg5 h SER 95 CO 0.00 -0.24 0.00 -1.22 -0.87 0.00 0.00 176.83 174.50 3bg5 n TYR 96 N -5.37 0.00 0.22 4.77 4.02 -1.26 -3.09 117.16 116.44 3bg5 n TYR 96 Ca 0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.93 3bg5 n TYR 96 Cb 0.29 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3bg5 n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3bg5 n LEU 97 N -1.01 0.86 -4.50 7.72 4.77 -0.59 -4.62 117.00 119.63 3bg5 n LEU 97 Ca 0.15 -0.76 -0.42 0.00 -0.03 0.00 0.00 56.01 54.95 3bg5 n LEU 97 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3bg5 n LEU 97 CO 0.12 0.19 1.00 0.21 -1.33 0.00 0.00 177.39 177.57 3bg5 s ASN 98 N -0.91 6.21 0.21 -1.43 3.04 -1.18 -4.92 114.94 115.96 3bg5 s ASN 98 Ca 0.04 -0.83 -0.09 0.00 0.04 0.00 0.00 52.86 52.02 3bg5 s ASN 98 Cb 0.04 -2.49 0.29 0.00 -1.54 0.00 0.00 41.25 37.55 3bg5 s ASN 98 CO 0.13 -1.60 1.75 0.40 -3.04 0.00 0.00 177.10 174.73 3bg5 h ILE 99 N 6.05 0.78 -0.17 -5.21 2.04 -1.92 -3.04 117.51 116.04 3bg5 h ILE 99 Ca -0.23 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.32 3bg5 h ILE 99 Cb 1.06 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3bg5 h ILE 99 CO 1.24 0.08 -0.54 -0.33 0.00 0.00 0.00 178.15 178.60 3bg5 h GLU 100 N 0.45 0.50 0.00 2.37 4.39 -2.00 -2.99 114.58 117.30 3bg5 h GLU 100 Ca 0.32 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 59.53 3bg5 h GLU 100 Cb 0.38 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3bg5 h GLU 100 CO -0.30 0.91 -0.83 -0.09 -1.16 0.00 0.00 179.01 177.54 3bg5 h ARG 101 N 0.38 0.04 -0.35 2.33 9.65 -1.94 -1.89 114.38 122.59 3bg5 h ARG 101 Ca 0.01 -0.04 -0.14 0.00 -1.10 0.00 0.00 59.98 58.71 3bg5 h ARG 101 Cb 1.07 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 3bg5 h ARG 101 CO 0.10 0.84 -0.33 0.82 2.80 0.00 0.00 179.97 184.20 3bg5 h ILE 102 N 0.02 1.28 0.00 1.20 2.04 -1.57 -2.48 117.51 118.01 3bg5 h ILE 102 Ca -0.02 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 3bg5 h ILE 102 Cb 1.46 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3bg5 h ILE 102 CO 0.11 0.50 -0.31 0.40 0.00 0.00 0.00 178.15 178.85 3bg5 h ILE 103 N 0.64 0.98 -0.33 -0.67 2.04 -1.46 -0.36 117.51 118.35 3bg5 h ILE 103 Ca 0.06 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.68 3bg5 h ILE 103 Cb 0.92 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3bg5 h ILE 103 CO 0.08 0.30 -0.17 0.44 0.00 0.00 0.00 178.15 178.81 3bg5 h ASP 104 N 0.00 0.71 -0.56 1.72 3.32 -1.21 -1.21 116.42 119.20 3bg5 h ASP 104 Ca -0.00 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 3bg5 h ASP 104 Cb 0.64 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3bg5 h ASP 104 CO 0.04 0.97 0.21 0.58 -1.72 0.00 0.00 179.24 179.32 3bg5 h VAL 105 N 0.46 1.23 -0.31 -1.35 2.07 -1.18 -2.16 116.25 115.00 3bg5 h VAL 105 Ca 0.07 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3bg5 h VAL 105 Cb 0.70 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3bg5 h VAL 105 CO 0.05 0.28 0.08 0.00 0.02 0.00 0.00 177.57 178.00 3bg5 h ALA 106 N 1.06 0.34 0.29 1.67 0.00 -0.97 -2.61 119.26 119.04 3bg5 h ALA 106 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3bg5 h ALA 106 Cb 0.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3bg5 h ALA 106 CO -0.01 -0.32 -0.14 0.87 0.00 0.00 0.00 179.25 179.64 3bg5 h LYS 107 N 0.20 -0.38 0.00 0.00 1.57 -1.11 0.45 116.57 117.30 3bg5 h LYS 107 Ca 0.14 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3bg5 h LYS 107 Cb 0.14 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3bg5 h LYS 107 CO -0.17 -0.17 0.00 0.94 -0.57 0.00 0.00 179.45 179.48 3bg5 n GLN 108 N -5.21 0.65 0.00 3.15 7.27 -0.82 -1.17 117.38 121.24 3bg5 n GLN 108 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.01 3bg5 n GLN 108 Cb 0.21 -1.49 0.02 0.00 2.41 0.00 0.00 30.24 31.39 3bg5 n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3bg5 n ALA 109 N -0.99 2.51 -3.27 1.69 0.00 -1.00 -5.01 120.51 114.43 3bg5 n ALA 109 Ca 0.15 -0.53 -0.16 0.00 0.00 0.00 0.00 53.44 52.91 3bg5 n ALA 109 Cb 0.07 -0.24 0.08 0.00 0.00 0.00 0.00 19.45 19.36 3bg5 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bg5 n ASN 110 N 0.29 -2.70 -4.69 0.00 4.13 -0.32 -5.01 115.26 106.96 3bg5 n ASN 110 Ca 0.04 -0.52 -0.39 0.00 1.68 0.00 0.00 54.58 55.38 3bg5 n ASN 110 Cb 0.17 -4.49 -0.06 0.00 -1.54 0.00 0.00 39.78 33.86 3bg5 n ASN 110 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bg5 s VAL 111 N -3.31 5.09 -1.01 2.41 1.01 0.13 -4.71 120.40 120.02 3bg5 s VAL 111 Ca 0.09 1.13 0.15 0.00 0.00 0.00 0.00 61.98 63.35 3bg5 s VAL 111 Cb -0.04 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3bg5 s VAL 111 CO 0.63 0.22 0.72 -0.90 0.00 0.00 0.00 175.10 175.77 3bg5 n ASP 112 N 4.28 1.08 -3.76 3.32 5.68 -1.04 -4.71 116.55 121.40 3bg5 n ASP 112 Ca -0.04 -1.04 -0.13 0.00 -0.50 0.00 0.00 54.79 53.09 3bg5 n ASP 112 Cb 0.51 0.77 -0.11 0.00 -1.14 0.00 0.00 41.12 41.15 3bg5 n ASP 112 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bg5 s ALA 113 N -2.16 -0.73 -0.12 2.12 0.00 -1.20 -0.89 121.76 118.77 3bg5 s ALA 113 Ca 0.09 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.96 3bg5 s ALA 113 Cb 0.12 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3bg5 s ALA 113 CO 0.51 -0.15 -0.16 0.42 0.00 0.00 0.00 175.76 176.38 3bg5 s ILE 114 N 0.36 1.58 -0.27 0.00 1.01 -0.70 -0.90 121.20 122.28 3bg5 s ILE 114 Ca -0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 3bg5 s ILE 114 Cb -0.03 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3bg5 s ILE 114 CO -0.01 0.46 0.49 -2.28 0.00 0.00 0.00 174.94 173.59 3bg5 s HIS 115 N 1.10 3.25 -0.06 3.97 2.46 0.03 -1.47 115.29 124.58 3bg5 s HIS 115 Ca -0.04 0.53 0.28 0.00 0.47 0.00 0.00 55.06 56.31 3bg5 s HIS 115 Cb -0.14 -2.72 0.96 0.00 -0.13 0.00 0.00 32.58 30.54 3bg5 s HIS 115 CO -0.04 -0.31 1.83 -1.00 -2.47 0.00 0.00 174.74 172.75 3bg5 h PRO 116 N 8.11 0.00 0.00 2.88 0.13 -1.85 0.03 132.00 141.30 3bg5 h PRO 116 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3bg5 h PRO 116 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3bg5 h PRO 116 CO 0.71 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 3bg5 n GLY 117 N 0.40 2.05 2.92 1.56 0.00 -1.26 -4.47 105.19 106.39 3bg5 n GLY 117 Ca 0.02 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 3bg5 n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bg5 s TYR 118 N 0.00 0.27 -1.19 1.61 -0.85 -1.26 -4.39 117.35 111.54 3bg5 s TYR 118 Ca 0.00 -0.07 -0.01 0.00 -0.52 0.00 0.00 57.07 56.47 3bg5 s TYR 118 Cb 0.00 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 3bg5 s TYR 118 CO 0.00 -0.01 0.94 0.41 -1.52 0.00 0.00 175.55 175.37 3bg5 n GLY 119 N 2.95 -0.49 1.89 5.49 0.00 -1.26 -4.89 105.19 108.88 3bg5 n GLY 119 Ca -0.13 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3bg5 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bg5 n PHE 120 N -4.01 0.00 -0.41 1.61 3.72 -1.26 -4.91 117.46 112.20 3bg5 n PHE 120 Ca -0.25 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.16 3bg5 n PHE 120 Cb 0.66 0.47 0.02 0.00 -0.94 0.00 0.00 39.48 39.69 3bg5 n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3bg5 n LEU 121 N -2.44 1.64 0.21 4.37 4.77 -1.26 -4.81 117.00 119.48 3bg5 n LEU 121 Ca 0.00 -1.80 0.06 0.00 -0.03 0.00 0.00 56.01 54.24 3bg5 n LEU 121 Cb 0.00 -0.07 0.54 0.00 -2.33 0.00 0.00 43.42 41.56 3bg5 n LEU 121 CO 0.00 0.44 0.98 0.77 -1.33 0.00 0.00 177.39 178.25 3bg5 h SER 122 N 0.00 0.06 -0.03 -1.43 4.64 -1.89 -1.19 113.55 113.71 3bg5 h SER 122 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3bg5 h SER 122 Cb 0.70 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3bg5 h SER 122 CO 0.00 0.15 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.48 3bg5 n GLU 123 N -4.41 1.86 -2.46 4.77 1.02 -1.26 -4.83 120.64 115.33 3bg5 n GLU 123 Ca -0.02 -1.72 -0.42 0.00 -0.02 0.00 0.00 57.16 54.98 3bg5 n GLU 123 Cb 0.18 -1.40 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 3bg5 n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3bg5 s ASN 124 N -1.73 6.19 0.24 1.62 3.84 -0.45 -4.91 114.94 119.74 3bg5 s ASN 124 Ca 0.24 0.12 -0.07 0.00 0.21 0.00 0.00 52.86 53.36 3bg5 s ASN 124 Cb 0.17 -2.55 0.42 0.00 -0.55 0.00 0.00 41.25 38.75 3bg5 s ASN 124 CO 0.26 -1.69 1.65 -0.33 -2.79 0.00 0.00 177.10 174.20 3bg5 h GLU 125 N 10.60 0.14 -0.71 0.43 5.08 -1.88 -2.26 114.58 125.97 3bg5 h GLU 125 Ca -0.26 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 3bg5 h GLU 125 Cb 1.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 3bg5 h GLU 125 CO 1.20 0.10 0.18 1.96 -1.00 0.00 0.00 179.01 181.44 3bg5 h GLN 126 N 0.15 1.13 -0.63 2.33 1.08 -1.96 -2.05 115.11 115.15 3bg5 h GLN 126 Ca 0.40 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3bg5 h GLN 126 Cb 0.70 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 3bg5 h GLN 126 CO -0.60 0.99 0.39 0.35 -0.95 0.00 0.00 178.83 179.01 3bg5 h PHE 127 N 1.07 0.83 -0.41 2.96 3.57 -1.75 0.22 116.94 123.43 3bg5 h PHE 127 Ca 0.22 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3bg5 h PHE 127 Cb 0.36 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3bg5 h PHE 127 CO 0.03 0.56 0.18 0.00 -2.23 0.00 0.00 178.31 176.85 3bg5 h ALA 128 N 1.20 0.54 -0.19 2.41 0.00 -1.38 -1.27 119.26 120.56 3bg5 h ALA 128 Ca 0.23 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3bg5 h ALA 128 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3bg5 h ALA 128 CO -0.04 0.12 -0.03 -0.09 0.00 0.00 0.00 179.25 179.20 3bg5 h ARG 129 N 0.53 0.02 0.00 0.00 2.43 -0.90 -2.73 114.38 113.73 3bg5 h ARG 129 Ca 0.14 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3bg5 h ARG 129 Cb 0.15 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3bg5 h ARG 129 CO -0.01 0.01 -0.23 0.00 -1.51 0.00 0.00 179.97 178.22 3bg5 h ARG 130 N 0.02 0.00 0.15 0.20 2.47 -0.40 -2.70 114.38 114.12 3bg5 h ARG 130 Ca 0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3bg5 h ARG 130 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3bg5 h ARG 130 CO -0.19 0.23 -0.07 0.00 0.56 0.00 0.00 179.97 180.50 3bg5 h ALA 132 N 0.08 1.23 0.00 0.00 0.00 -1.26 0.34 119.26 119.65 3bg5 h ALA 132 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3bg5 h ALA 132 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3bg5 h ALA 132 CO 0.03 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.75 3bg5 n GLU 133 N -3.49 0.97 -0.01 0.00 1.02 -1.03 -3.21 120.64 114.89 3bg5 n GLU 133 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3bg5 n GLU 133 Cb 0.18 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 3bg5 n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3bg5 n GLU 134 N -0.68 1.34 -1.13 3.49 -0.58 0.02 -4.98 120.64 118.11 3bg5 n GLU 134 Ca 0.09 -0.98 -0.04 0.00 -0.42 0.00 0.00 57.16 55.80 3bg5 n GLU 134 Cb 0.04 -0.74 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 3bg5 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg5 n GLY 135 N -0.24 0.70 3.89 0.62 0.00 -1.17 -5.02 105.19 103.96 3bg5 n GLY 135 Ca 0.00 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3bg5 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 136 N -2.02 5.46 -0.30 -0.61 1.01 -0.66 -4.80 121.20 119.28 3bg5 s ILE 136 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.60 3bg5 s ILE 136 Cb 0.00 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3bg5 s ILE 136 CO 0.00 0.50 0.16 -0.75 0.00 0.00 0.00 174.94 174.86 3bg5 s LYS 137 N -1.39 3.52 0.07 2.79 2.20 -0.06 -2.66 119.74 124.20 3bg5 s LYS 137 Ca 0.20 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.90 3bg5 s LYS 137 Cb -0.12 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.52 3bg5 s LYS 137 CO 0.10 -0.35 1.62 0.12 -0.36 0.00 0.00 175.35 176.48 3bg5 s PHE 138 N 1.66 2.53 -0.89 4.03 2.19 -1.26 -1.71 117.98 124.52 3bg5 s PHE 138 Ca 0.06 0.40 -0.20 0.00 0.33 0.00 0.00 56.93 57.51 3bg5 s PHE 138 Cb -0.17 -3.93 0.10 0.00 -1.31 0.00 0.00 43.02 37.72 3bg5 s PHE 138 CO 0.08 -3.68 1.16 0.42 1.83 0.00 0.00 175.22 175.02 3bg5 s ILE 139 N 2.47 4.48 -3.84 3.12 1.01 -0.54 -4.82 121.20 123.07 3bg5 s ILE 139 Ca 0.73 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3bg5 s ILE 139 Cb -0.39 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.26 3bg5 s ILE 139 CO 0.32 -1.59 0.00 0.61 0.00 0.00 0.00 174.94 174.28 3bg5 n GLY 140 N 5.72 -0.96 3.45 6.18 0.00 -1.26 -4.50 105.19 113.81 3bg5 n GLY 140 Ca 0.20 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 3bg5 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 141 N -1.54 -1.43 0.95 1.61 0.04 -1.19 -4.67 135.00 128.76 3bg5 s PRO 141 Ca 0.00 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 3bg5 s PRO 141 Cb 0.00 -1.51 0.17 0.00 0.04 0.00 0.00 34.50 33.20 3bg5 s PRO 141 CO 0.00 -4.01 1.20 -1.01 0.04 0.00 0.00 177.00 173.21 3bg5 s HIS 142 N -2.43 2.04 0.14 0.56 3.76 -1.26 -4.88 115.29 113.20 3bg5 s HIS 142 Ca 0.68 0.62 -0.21 0.00 -0.15 0.00 0.00 55.06 56.00 3bg5 s HIS 142 Cb -0.22 -3.64 -0.01 0.00 1.11 0.00 0.00 32.58 29.82 3bg5 s HIS 142 CO 0.63 -2.55 1.67 -0.07 -0.85 0.00 0.00 174.74 173.57 3bg5 h LEU 143 N -1.61 -0.46 0.00 0.89 4.07 -1.96 -1.98 115.31 114.27 3bg5 h LEU 143 Ca -0.47 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.58 3bg5 h LEU 143 Cb 1.30 0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.27 3bg5 h LEU 143 CO 0.52 -0.18 0.00 -1.84 -1.08 0.00 0.00 178.44 175.85 3bg5 n GLU 144 N -5.30 0.85 -0.03 1.13 0.00 -1.26 -1.51 120.64 114.53 3bg5 n GLU 144 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.93 3bg5 n GLU 144 Cb 0.21 -1.31 -0.13 0.00 0.00 0.00 0.00 31.44 30.21 3bg5 n GLU 144 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3bg5 h HIS 145 N 0.00 0.30 -0.41 -1.84 3.86 -1.72 -0.82 115.15 114.52 3bg5 h HIS 145 Ca 0.00 -0.22 -0.07 0.00 -1.16 0.00 0.00 60.37 58.92 3bg5 h HIS 145 Cb 0.00 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3bg5 h HIS 145 CO 0.00 1.52 -0.02 -0.07 0.86 0.00 0.00 177.93 180.21 3bg5 h LEU 146 N -0.49 0.64 -0.10 2.43 3.38 -1.40 -1.39 115.31 118.38 3bg5 h LEU 146 Ca -0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3bg5 h LEU 146 Cb 1.61 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 3bg5 h LEU 146 CO -0.01 0.72 -0.03 -0.78 0.09 0.00 0.00 178.44 178.44 3bg5 h ASP 147 N 0.63 0.20 -0.33 -0.43 -0.00 -1.39 -1.57 116.42 113.53 3bg5 h ASP 147 Ca 0.12 -0.37 0.07 0.00 -0.00 0.00 0.00 57.03 56.85 3bg5 h ASP 147 Cb 0.43 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.33 39.62 3bg5 h ASP 147 CO 0.02 0.53 -0.26 -0.03 -0.00 0.00 0.00 179.24 179.50 3bg5 h MET 148 N -0.13 -0.21 -0.36 0.28 4.05 -0.84 -3.12 114.93 114.60 3bg5 h MET 148 Ca 0.03 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3bg5 h MET 148 Cb 0.44 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 3bg5 h MET 148 CO 0.01 -0.14 0.00 1.19 0.23 0.00 0.00 176.91 178.20 3bg5 n PHE 149 N -5.39 0.47 -0.03 1.39 3.01 -0.55 -1.91 117.46 114.45 3bg5 n PHE 149 Ca 0.01 -0.29 -0.15 0.00 1.01 0.00 0.00 57.45 58.02 3bg5 n PHE 149 Cb 0.31 -0.01 -0.10 0.00 -0.01 0.00 0.00 39.48 39.68 3bg5 n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3bg5 h GLY 150 N 3.64 0.40 -3.61 1.37 0.00 -1.21 -3.45 103.07 100.21 3bg5 h GLY 150 Ca 0.00 -0.58 -0.52 0.00 0.00 0.00 0.00 47.33 46.23 3bg5 h GLY 150 CO 0.00 0.52 0.10 -0.35 0.00 0.00 0.00 176.54 176.81 3bg5 s ASP 151 N -6.47 7.03 0.33 0.19 3.68 -1.26 -4.99 116.67 115.19 3bg5 s ASP 151 Ca -0.14 1.40 0.17 0.00 2.13 0.00 0.00 52.55 56.11 3bg5 s ASP 151 Cb 0.04 -2.41 0.44 0.00 -1.45 0.00 0.00 42.92 39.53 3bg5 s ASP 151 CO 0.78 0.02 1.62 0.11 0.13 0.00 0.00 175.17 177.83 3bg5 h LYS 152 N 3.34 0.00 0.20 4.34 1.57 -1.92 -2.60 116.57 121.49 3bg5 h LYS 152 Ca -0.48 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.04 3bg5 h LYS 152 Cb 1.19 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.53 3bg5 h LYS 152 CO 0.65 0.45 -1.15 0.28 -0.57 0.00 0.00 179.45 179.11 3bg5 h VAL 153 N 0.00 1.39 -0.48 0.50 2.07 -1.95 -3.18 116.25 114.60 3bg5 h VAL 153 Ca -0.00 -2.61 -0.10 0.00 0.82 0.00 0.00 66.70 64.80 3bg5 h VAL 153 Cb 1.10 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.97 3bg5 h VAL 153 CO 0.06 0.76 -0.11 0.50 0.02 0.00 0.00 177.57 178.80 3bg5 h LYS 154 N -0.12 0.89 -0.15 1.57 1.63 -1.81 -1.92 116.57 116.67 3bg5 h LYS 154 Ca -0.20 -0.31 -0.07 0.00 -0.85 0.00 0.00 60.65 59.22 3bg5 h LYS 154 Cb 1.90 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 33.46 3bg5 h LYS 154 CO 0.21 0.95 -0.19 0.00 -3.45 0.00 0.00 179.45 176.97 3bg5 h ALA 155 N 1.08 0.22 -0.73 5.00 0.00 -0.97 -2.64 119.26 121.21 3bg5 h ALA 155 Ca 0.13 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3bg5 h ALA 155 Cb 0.63 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3bg5 h ALA 155 CO 0.04 0.15 0.48 -0.09 0.00 0.00 0.00 179.25 179.83 3bg5 h ARG 156 N 0.01 0.83 -0.63 0.00 1.12 -1.52 -0.98 114.38 113.21 3bg5 h ARG 156 Ca 0.02 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 3bg5 h ARG 156 Cb 0.75 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.49 3bg5 h ARG 156 CO 0.05 0.55 0.30 1.15 -3.11 0.00 0.00 179.97 178.90 3bg5 h THR 157 N 0.85 1.22 -0.09 0.20 2.02 -1.28 -2.85 112.91 112.98 3bg5 h THR 157 Ca 0.30 -0.62 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 3bg5 h THR 157 Cb 0.11 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3bg5 h THR 157 CO -0.09 0.25 -0.56 0.74 0.37 0.00 0.00 175.52 176.23 3bg5 h THR 158 N 0.86 1.36 0.00 3.16 2.02 -0.89 -2.89 112.91 116.53 3bg5 h THR 158 Ca 0.21 -1.88 -0.08 0.00 0.77 0.00 0.00 66.41 65.44 3bg5 h THR 158 Cb 0.13 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3bg5 h THR 158 CO -0.03 0.56 -0.40 0.00 0.37 0.00 0.00 175.52 176.03 3bg5 h ALA 159 N 1.19 0.95 -0.04 6.16 0.00 -1.13 -2.67 119.26 123.72 3bg5 h ALA 159 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3bg5 h ALA 159 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3bg5 h ALA 159 CO 0.09 0.50 -0.14 0.82 0.00 0.00 0.00 179.25 180.52 3bg5 h ILE 160 N 0.00 1.47 0.00 0.00 2.04 -1.42 -1.98 117.51 117.62 3bg5 h ILE 160 Ca -0.00 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.26 3bg5 h ILE 160 Cb 0.97 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 3bg5 h ILE 160 CO 0.05 0.44 0.26 0.50 0.00 0.00 0.00 178.15 179.40 3bg5 h LYS 161 N -0.41 0.00 -1.51 2.37 1.63 -1.43 -1.88 116.57 115.33 3bg5 h LYS 161 Ca -0.01 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.29 3bg5 h LYS 161 Cb 0.78 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.00 3bg5 h LYS 161 CO 0.03 0.00 -0.92 0.00 -3.45 0.00 0.00 179.45 175.11 3bg5 n ALA 162 N -1.63 4.15 -4.18 5.00 0.00 -1.02 -5.05 120.51 117.79 3bg5 n ALA 162 Ca -0.01 -3.89 -0.37 0.00 0.00 0.00 0.00 53.44 49.16 3bg5 n ALA 162 Cb 0.29 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 3bg5 n ALA 162 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3bg5 n ASP 163 N -0.23 -1.34 -3.81 0.00 5.68 -0.71 -4.71 116.55 111.44 3bg5 n ASP 163 Ca 0.27 -1.27 -0.20 0.00 -0.50 0.00 0.00 54.79 53.09 3bg5 n ASP 163 Cb 0.67 -1.75 -0.17 0.00 -1.14 0.00 0.00 41.12 38.73 3bg5 n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3bg5 s LEU 164 N -7.38 0.92 0.47 -2.12 1.43 -0.77 -5.04 118.68 106.20 3bg5 s LEU 164 Ca 0.21 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 3bg5 s LEU 164 Cb -0.12 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.69 3bg5 s LEU 164 CO 0.98 -0.13 0.89 -2.16 0.23 0.00 0.00 176.35 176.15 3bg5 s PRO 165 N 1.42 3.83 0.23 1.29 0.04 -1.26 -4.44 135.00 136.12 3bg5 s PRO 165 Ca -0.04 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.71 3bg5 s PRO 165 Cb -0.13 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3bg5 s PRO 165 CO -0.03 -0.19 0.00 0.28 0.04 0.00 0.00 177.00 177.10 3bg5 n VAL 166 N -1.57 0.06 -1.41 -0.36 0.31 -1.26 -2.11 118.33 111.98 3bg5 n VAL 166 Ca 0.05 0.02 -0.48 0.00 -0.01 0.00 0.00 64.34 63.92 3bg5 n VAL 166 Cb 0.54 -0.46 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 3bg5 n VAL 166 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3bg5 n ILE 167 N -3.30 1.99 -0.92 2.52 5.41 -1.26 -5.01 119.36 118.77 3bg5 n ILE 167 Ca 0.00 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.91 3bg5 n ILE 167 Cb 0.00 -0.08 0.09 0.00 -0.71 0.00 0.00 39.64 38.94 3bg5 n ILE 167 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3bg5 n PRO 168 N 0.98 -0.12 -2.81 0.38 -0.04 -1.26 -5.21 135.00 126.92 3bg5 n PRO 168 Ca 0.17 -0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3bg5 n PRO 168 Cb 0.26 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.18 3bg5 n PRO 168 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3bg5 s ILE 239 N -2.21 -0.41 0.44 0.52 1.01 -1.26 -5.26 121.20 114.04 3bg5 s ILE 239 Ca 0.52 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 3bg5 s ILE 239 Cb -0.22 0.00 -0.05 0.00 0.01 0.00 0.00 42.46 42.20 3bg5 s ILE 239 CO 0.71 0.00 0.78 -0.62 0.00 0.00 0.00 174.94 175.81 3bg5 s ASP 240 N 1.55 6.38 -1.35 3.58 -1.08 -1.26 -4.32 116.67 120.18 3bg5 s ASP 240 Ca 0.19 1.03 -0.04 0.00 -0.52 0.00 0.00 52.55 53.20 3bg5 s ASP 240 Cb 0.05 -2.29 0.02 0.00 -1.46 0.00 0.00 42.92 39.24 3bg5 s ASP 240 CO -0.11 -0.49 0.88 -3.20 0.52 0.00 0.00 175.17 172.76 3bg5 n ASN 241 N -1.80 -2.78 -4.86 -0.34 2.85 -1.26 -4.86 115.26 102.21 3bg5 n ASN 241 Ca 0.01 -0.74 -0.31 0.00 -0.11 0.00 0.00 54.58 53.43 3bg5 n ASN 241 Cb 0.54 -4.33 -0.02 0.00 1.24 0.00 0.00 39.78 37.22 3bg5 n ASN 241 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3bg5 s PRO 242 N -6.06 3.78 -0.02 1.20 0.04 -1.26 -4.77 135.00 127.91 3bg5 s PRO 242 Ca 0.22 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.07 3bg5 s PRO 242 Cb -0.11 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3bg5 s PRO 242 CO 0.79 -0.35 -0.02 0.21 0.04 0.00 0.00 177.00 177.66 3bg5 s LYS 243 N -4.49 0.43 -0.31 4.56 2.20 0.14 -1.80 119.74 120.48 3bg5 s LYS 243 Ca 0.56 -0.04 -0.17 0.00 -0.36 0.00 0.00 55.97 55.96 3bg5 s LYS 243 Cb -0.10 -0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 35.69 3bg5 s LYS 243 CO 0.40 -0.05 0.47 -1.58 -0.36 0.00 0.00 175.35 174.23 3bg5 s HIS 244 N 0.62 3.22 -0.01 4.03 5.65 -1.26 -0.41 115.29 127.12 3bg5 s HIS 244 Ca -0.07 0.33 0.02 0.00 0.25 0.00 0.00 55.06 55.60 3bg5 s HIS 244 Cb -0.10 -2.77 -0.00 0.00 -1.18 0.00 0.00 32.58 28.53 3bg5 s HIS 244 CO -0.01 -0.39 -0.08 0.42 -0.65 0.00 0.00 174.74 174.03 3bg5 s ILE 245 N 2.26 0.70 0.03 0.89 -1.09 -1.25 -1.07 121.20 121.67 3bg5 s ILE 245 Ca 0.18 -0.35 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 3bg5 s ILE 245 Cb -0.16 -0.61 -0.02 0.00 -1.58 0.00 0.00 42.46 40.10 3bg5 s ILE 245 CO 0.11 0.21 -0.09 -1.83 -1.23 0.00 0.00 174.94 172.12 3bg5 s GLU 246 N -0.01 0.61 -0.16 2.79 -1.05 -0.64 -0.86 118.70 119.38 3bg5 s GLU 246 Ca 0.00 -0.56 -0.04 0.00 -0.15 0.00 0.00 54.97 54.22 3bg5 s GLU 246 Cb -0.06 -0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 33.10 3bg5 s GLU 246 CO -0.00 0.12 -0.04 0.08 0.95 0.00 0.00 175.26 176.37 3bg5 s VAL 247 N -0.81 3.85 0.23 1.83 1.01 -0.69 0.20 120.40 126.03 3bg5 s VAL 247 Ca -0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3bg5 s VAL 247 Cb -0.07 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 3bg5 s VAL 247 CO 0.00 0.49 0.95 -1.58 0.00 0.00 0.00 175.10 174.96 3bg5 s GLN 248 N 0.45 4.84 -0.00 2.72 2.00 -0.71 -1.45 119.66 127.51 3bg5 s GLN 248 Ca -0.04 1.50 0.01 0.00 -2.00 0.00 0.00 55.36 54.83 3bg5 s GLN 248 Cb -0.14 -3.28 -0.00 0.00 0.80 0.00 0.00 33.01 30.38 3bg5 s GLN 248 CO 0.03 0.49 -0.03 0.08 -0.50 0.00 0.00 175.29 175.36 3bg5 s VAL 249 N -1.09 0.22 -0.13 1.34 1.01 -0.29 -1.08 120.40 120.38 3bg5 s VAL 249 Ca 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3bg5 s VAL 249 Cb -0.26 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 35.95 3bg5 s VAL 249 CO 0.32 0.06 -0.12 -0.63 0.00 0.00 0.00 175.10 174.74 3bg5 s ILE 250 N -0.02 1.35 0.18 2.22 -1.09 -0.51 -1.15 121.20 122.18 3bg5 s ILE 250 Ca 0.01 -0.50 0.09 0.00 -2.23 0.00 0.00 60.65 58.01 3bg5 s ILE 250 Cb -0.02 -1.29 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 3bg5 s ILE 250 CO -0.00 0.42 -0.09 -0.83 -1.23 0.00 0.00 174.94 173.21 3bg5 s GLY 251 N 1.50 1.73 0.50 6.18 0.00 -0.79 -1.22 107.32 115.22 3bg5 s GLY 251 Ca 0.03 -1.45 0.05 0.00 0.00 0.00 0.00 44.72 43.36 3bg5 s GLY 251 CO -0.09 -1.47 0.45 2.09 0.00 0.00 0.00 173.10 174.09 3bg5 n ASP 252 N 0.06 2.45 0.09 1.64 3.85 0.24 0.10 116.55 124.98 3bg5 n ASP 252 Ca -0.11 -2.65 0.12 0.00 -0.71 0.00 0.00 54.79 51.45 3bg5 n ASP 252 Cb 0.55 -0.11 0.45 0.00 -1.35 0.00 0.00 41.12 40.66 3bg5 n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bg5 n GLU 253 N -1.77 0.17 -0.59 0.11 1.02 -1.26 -3.56 120.64 114.75 3bg5 n GLU 253 Ca 0.02 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3bg5 n GLU 253 Cb 0.56 -1.75 0.22 0.00 -0.02 0.00 0.00 31.44 30.45 3bg5 n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bg5 n HIS 254 N -2.06 1.40 -1.08 -0.32 8.25 -1.26 -4.89 115.22 115.26 3bg5 n HIS 254 Ca 0.04 -0.62 -0.03 0.00 -0.26 0.00 0.00 57.72 56.86 3bg5 n HIS 254 Cb 0.31 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 30.99 3bg5 n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bg5 n GLY 255 N 0.20 0.51 3.70 -1.41 0.00 -1.23 -5.01 105.19 101.96 3bg5 n GLY 255 Ca 0.21 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3bg5 n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 256 N -2.25 6.28 -0.07 1.61 -0.87 -1.26 -4.97 114.94 113.40 3bg5 s ASN 256 Ca 0.00 0.32 0.01 0.00 -1.57 0.00 0.00 52.86 51.62 3bg5 s ASN 256 Cb 0.00 -2.14 0.02 0.00 -0.02 0.00 0.00 41.25 39.11 3bg5 s ASN 256 CO 0.00 0.09 -0.08 -0.63 -2.57 0.00 0.00 177.10 173.91 3bg5 s ILE 257 N 0.71 0.86 0.25 0.60 1.01 -1.26 -0.59 121.20 122.78 3bg5 s ILE 257 Ca 0.12 -0.27 0.10 0.00 0.00 0.00 0.00 60.65 60.61 3bg5 s ILE 257 Cb -0.13 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3bg5 s ILE 257 CO 0.03 0.31 -0.18 0.68 0.00 0.00 0.00 174.94 175.78 3bg5 s VAL 258 N 1.14 2.21 0.08 2.92 -7.23 -0.36 -4.99 120.40 114.17 3bg5 s VAL 258 Ca -0.07 -2.33 0.07 0.00 -1.81 0.00 0.00 61.98 57.84 3bg5 s VAL 258 Cb -0.14 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3bg5 s VAL 258 CO -0.01 -0.47 -0.12 -1.38 -0.31 0.00 0.00 175.10 172.81 3bg5 s HIS 259 N -2.66 2.70 -0.52 2.82 -3.43 -1.26 -1.42 115.29 111.51 3bg5 s HIS 259 Ca 0.27 -0.17 0.03 0.00 -0.80 0.00 0.00 55.06 54.39 3bg5 s HIS 259 Cb -0.04 -1.45 0.42 0.00 -1.43 0.00 0.00 32.58 30.09 3bg5 s HIS 259 CO 0.12 0.38 1.47 1.28 -2.00 0.00 0.00 174.74 176.00 3bg5 n LEU 260 N 0.97 5.84 0.00 5.38 4.77 -0.25 -4.97 117.00 128.74 3bg5 n LEU 260 Ca -0.14 -4.86 0.00 0.00 -0.03 0.00 0.00 56.01 50.97 3bg5 n LEU 260 Cb 0.52 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3bg5 n LEU 260 CO 0.31 1.98 0.00 0.49 -1.33 0.00 0.00 177.39 178.84 3bg5 n PHE 261 N -0.63 -1.02 -4.36 -1.77 3.01 -1.26 -4.60 117.46 106.83 3bg5 n PHE 261 Ca 0.47 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.69 3bg5 n PHE 261 Cb 0.66 0.19 -0.09 0.00 -0.01 0.00 0.00 39.48 40.22 3bg5 n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3bg5 s GLU 262 N 0.00 1.99 -0.08 -1.08 1.03 -1.26 -1.74 118.70 117.56 3bg5 s GLU 262 Ca 0.00 -1.52 0.03 0.00 0.03 0.00 0.00 54.97 53.51 3bg5 s GLU 262 Cb 0.00 -2.01 -0.01 0.00 -0.80 0.00 0.00 34.13 31.31 3bg5 s GLU 262 CO 0.00 0.37 -0.19 1.03 -1.33 0.00 0.00 175.26 175.14 3bg5 s ARG 263 N -3.42 2.86 -0.22 -4.83 0.52 0.13 -4.31 118.95 109.69 3bg5 s ARG 263 Ca 0.29 -0.79 -0.20 0.00 -0.52 0.00 0.00 55.73 54.51 3bg5 s ARG 263 Cb -0.06 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 3bg5 s ARG 263 CO 0.17 0.35 0.60 0.34 0.02 0.00 0.00 175.30 176.78 3bg5 s ASP 264 N -0.05 6.61 -0.24 0.23 3.68 0.18 -1.62 116.67 125.45 3bg5 s ASP 264 Ca -0.05 0.74 0.12 0.00 2.13 0.00 0.00 52.55 55.50 3bg5 s ASP 264 Cb -0.14 -2.33 0.46 0.00 -1.45 0.00 0.00 42.92 39.45 3bg5 s ASP 264 CO 0.04 -0.29 1.18 0.00 0.13 0.00 0.00 175.17 176.23 3bg5 h SER 266 N 1.86 0.00 -1.14 0.00 0.02 -1.77 -3.39 113.55 109.13 3bg5 h SER 266 Ca 0.14 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.66 3bg5 h SER 266 Cb 1.39 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.87 3bg5 h SER 266 CO 0.41 0.43 1.06 -0.69 -1.14 0.00 0.00 176.83 176.90 3bg5 s VAL 267 N -3.19 3.59 0.09 2.27 1.01 -1.25 -3.85 120.40 119.07 3bg5 s VAL 267 Ca 0.03 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 3bg5 s VAL 267 Cb 0.09 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 32.15 3bg5 s VAL 267 CO 0.72 -1.29 0.46 0.00 0.00 0.00 0.00 175.10 174.99 3bg5 s GLN 268 N 6.36 1.06 0.00 2.72 -2.07 -1.26 -1.70 119.66 124.76 3bg5 s GLN 268 Ca 0.60 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.65 3bg5 s GLN 268 Cb -0.06 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 3bg5 s GLN 268 CO 0.01 -0.40 0.00 2.89 -1.32 0.00 0.00 175.29 176.47 3bg5 n ARG 269 N 0.06 1.58 -0.25 9.60 1.85 -0.54 -4.74 116.66 124.21 3bg5 n ARG 269 Ca -0.17 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.64 3bg5 n ARG 269 Cb 0.62 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.04 3bg5 n ARG 269 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bg5 h ARG 270 N 0.00 -0.12 0.00 2.89 3.08 -2.03 -3.16 114.38 115.05 3bg5 h ARG 270 Ca 0.00 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3bg5 h ARG 270 Cb 0.00 0.03 -0.18 0.00 0.08 0.00 0.00 29.97 29.90 3bg5 h ARG 270 CO 0.00 -0.08 -0.70 0.72 -1.07 0.00 0.00 179.97 178.85 3bg5 n HIS 271 N -5.44 0.00 -3.65 3.04 8.25 -1.26 -5.03 115.22 111.13 3bg5 n HIS 271 Ca 0.06 -0.62 -0.28 0.00 -0.26 0.00 0.00 57.72 56.62 3bg5 n HIS 271 Cb 0.37 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 3bg5 n HIS 271 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3bg5 s GLN 272 N -0.92 0.37 0.27 -0.41 0.74 -1.19 -5.12 119.66 113.40 3bg5 s GLN 272 Ca 0.26 -0.42 -0.30 0.00 0.05 0.00 0.00 55.36 54.95 3bg5 s GLN 272 Cb 0.28 -1.79 -0.10 0.00 1.10 0.00 0.00 33.01 32.49 3bg5 s GLN 272 CO -0.09 -0.78 1.48 0.15 -0.55 0.00 0.00 175.29 175.51 3bg5 s LYS 273 N 1.97 4.22 0.03 1.67 1.02 -1.26 -1.47 119.74 125.91 3bg5 s LYS 273 Ca 0.04 2.39 -0.00 0.00 0.02 0.00 0.00 55.97 58.42 3bg5 s LYS 273 Cb -0.17 -3.08 -0.00 0.00 -0.52 0.00 0.00 37.83 34.07 3bg5 s LYS 273 CO -0.17 -0.48 -0.01 0.28 -0.92 0.00 0.00 175.35 174.05 3bg5 n VAL 274 N 2.18 0.41 -4.29 3.17 0.31 -0.69 -4.94 118.33 114.48 3bg5 n VAL 274 Ca 0.07 0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 64.28 3bg5 n VAL 274 Cb 0.39 -1.54 -0.17 0.00 -0.91 0.00 0.00 33.84 31.62 3bg5 n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3bg5 s VAL 275 N -2.01 0.93 0.14 2.52 1.01 -0.79 -2.83 120.40 119.37 3bg5 s VAL 275 Ca -0.01 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3bg5 s VAL 275 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3bg5 s VAL 275 CO 0.01 0.32 0.04 -1.61 0.00 0.00 0.00 175.10 173.87 3bg5 s GLU 276 N 1.02 2.61 -0.03 2.72 8.01 -0.83 -3.89 118.70 128.31 3bg5 s GLU 276 Ca -0.08 -0.95 0.00 0.00 0.01 0.00 0.00 54.97 53.95 3bg5 s GLU 276 Cb -0.15 -2.51 0.03 0.00 -4.31 0.00 0.00 34.13 27.19 3bg5 s GLU 276 CO -0.00 0.49 0.01 0.08 0.01 0.00 0.00 175.26 175.84 3bg5 s VAL 277 N -1.61 0.16 -0.06 2.63 1.01 0.33 -1.61 120.40 121.24 3bg5 s VAL 277 Ca 0.28 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 3bg5 s VAL 277 Cb -0.10 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.03 3bg5 s VAL 277 CO 0.20 0.15 -0.03 0.00 0.00 0.00 0.00 175.10 175.42 3bg5 s ALA 278 N 1.18 0.74 0.94 5.51 0.00 0.35 0.49 121.76 130.96 3bg5 s ALA 278 Ca -0.08 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 3bg5 s ALA 278 Cb -0.13 -0.59 0.20 0.00 0.00 0.00 0.00 23.12 22.60 3bg5 s ALA 278 CO -0.02 -0.22 1.29 -1.25 0.00 0.00 0.00 175.76 175.55 3bg5 s PRO 279 N 1.39 0.68 -0.15 0.00 0.04 -1.26 0.85 135.00 136.55 3bg5 s PRO 279 Ca -0.03 -0.58 -0.29 0.00 0.04 0.00 0.00 61.00 60.13 3bg5 s PRO 279 Cb -0.13 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3bg5 s PRO 279 CO -0.03 -2.34 1.29 0.45 0.04 0.00 0.00 177.00 176.41 3bg5 s SER 280 N -4.90 6.93 -0.06 6.66 0.15 -1.25 -4.83 113.70 116.40 3bg5 s SER 280 Ca 0.74 1.74 -0.21 0.00 0.70 0.00 0.00 55.95 58.93 3bg5 s SER 280 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 3bg5 s SER 280 CO 0.52 -0.76 0.59 -0.69 1.20 0.00 0.00 173.24 174.10 3bg5 s VAL 281 N 3.43 5.04 0.00 4.45 1.01 -1.26 -4.30 120.40 128.76 3bg5 s VAL 281 Ca 0.56 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3bg5 s VAL 281 Cb -0.23 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.23 3bg5 s VAL 281 CO 0.16 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3bg5 n GLY 282 N 2.88 2.66 3.76 4.51 0.00 -1.26 -4.37 105.19 113.36 3bg5 n GLY 282 Ca -0.05 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 3bg5 n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bg5 s LEU 283 N 0.00 3.55 0.61 0.99 1.43 -1.26 -4.92 118.68 119.08 3bg5 s LEU 283 Ca 0.00 2.19 -0.17 0.00 -1.03 0.00 0.00 54.13 55.12 3bg5 s LEU 283 Cb 0.00 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 3bg5 s LEU 283 CO 0.00 -1.59 1.12 -0.94 0.23 0.00 0.00 176.35 175.16 3bg5 s SER 284 N -2.04 5.39 0.12 2.29 1.04 -1.26 -4.98 113.70 114.26 3bg5 s SER 284 Ca 0.72 2.07 -0.20 0.00 0.48 0.00 0.00 55.95 59.02 3bg5 s SER 284 Cb -0.25 -2.56 -0.07 0.00 0.10 0.00 0.00 66.02 63.23 3bg5 s SER 284 CO 0.36 -1.44 1.77 -0.65 0.98 0.00 0.00 173.24 174.25 3bg5 h PRO 285 N 0.55 0.21 0.00 4.02 0.11 -2.01 -2.63 132.00 132.25 3bg5 h PRO 285 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bg5 h PRO 285 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bg5 h PRO 285 CO 0.55 0.14 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 3bg5 n THR 286 N -4.98 0.24 0.01 -1.15 -2.24 -1.26 -3.51 114.28 101.39 3bg5 n THR 286 Ca -0.04 0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 3bg5 n THR 286 Cb 0.04 -0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 67.53 3bg5 n THR 286 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3bg5 h LEU 287 N 0.00 -0.10 -1.78 3.22 6.46 -1.85 -3.21 115.31 118.05 3bg5 h LEU 287 Ca 0.00 -0.49 -0.03 0.00 -0.12 0.00 0.00 57.88 57.24 3bg5 h LEU 287 Cb 0.30 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3bg5 h LEU 287 CO 0.00 0.50 -0.15 0.08 -0.62 0.00 0.00 178.44 178.25 3bg5 h ARG 288 N -0.77 0.00 -0.41 1.25 0.11 -1.60 -1.73 114.38 111.23 3bg5 h ARG 288 Ca -0.01 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.08 3bg5 h ARG 288 Cb 0.58 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.63 3bg5 h ARG 288 CO 0.02 0.15 0.24 1.96 0.10 0.00 0.00 179.97 182.44 3bg5 h GLN 289 N 0.00 0.48 -0.57 0.08 1.08 -1.65 0.50 115.11 115.02 3bg5 h GLN 289 Ca -0.00 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 3bg5 h GLN 289 Cb 0.29 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3bg5 h GLN 289 CO 0.02 0.32 0.10 0.00 -0.95 0.00 0.00 178.83 178.31 3bg5 h ARG 290 N 0.49 0.92 -0.32 1.46 3.08 -1.33 0.19 114.38 118.87 3bg5 h ARG 290 Ca 0.16 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.82 3bg5 h ARG 290 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3bg5 h ARG 290 CO -0.07 0.85 -0.47 0.82 -1.07 0.00 0.00 179.97 180.03 3bg5 h ILE 291 N 0.87 1.28 0.09 2.04 2.04 -1.20 0.18 117.51 122.81 3bg5 h ILE 291 Ca 0.18 -1.65 -0.00 0.00 1.00 0.00 0.00 64.86 64.39 3bg5 h ILE 291 Cb 0.37 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3bg5 h ILE 291 CO 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 178.15 178.65 3bg5 h ASP 293 N -0.30 0.24 -0.61 0.00 5.19 -0.57 0.11 116.42 120.47 3bg5 h ASP 293 Ca -0.01 0.07 0.11 0.00 -0.62 0.00 0.00 57.03 56.57 3bg5 h ASP 293 Cb 0.26 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.72 3bg5 h ASP 293 CO 0.02 0.15 0.18 0.00 -3.12 0.00 0.00 179.24 176.47 3bg5 h ALA 294 N 1.38 0.76 -0.02 3.45 0.00 -0.57 0.23 119.26 124.49 3bg5 h ALA 294 Ca 0.28 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3bg5 h ALA 294 Cb 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3bg5 h ALA 294 CO -0.27 -0.26 0.01 0.00 0.00 0.00 0.00 179.25 178.72 3bg5 h ALA 295 N 1.46 0.02 -1.00 0.00 0.00 -0.51 -2.73 119.26 116.50 3bg5 h ALA 295 Ca 0.32 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3bg5 h ALA 295 Cb 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3bg5 h ALA 295 CO -0.36 -0.39 0.65 0.82 0.00 0.00 0.00 179.25 179.97 3bg5 h ILE 296 N -0.16 1.14 -0.78 0.00 1.08 -0.23 -1.77 117.51 116.80 3bg5 h ILE 296 Ca 0.01 -0.42 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 3bg5 h ILE 296 Cb 0.19 -0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 33.70 3bg5 h ILE 296 CO -0.00 0.22 0.36 -0.61 -0.69 0.00 0.00 178.15 177.44 3bg5 h GLN 297 N 1.23 1.12 0.57 2.37 4.15 -0.47 -0.63 115.11 123.45 3bg5 h GLN 297 Ca 0.41 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 3bg5 h GLN 297 Cb 0.06 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.56 3bg5 h GLN 297 CO -0.14 0.87 -0.27 1.25 -1.93 0.00 0.00 178.83 178.60 3bg5 h LEU 298 N 1.11 -0.65 -1.27 -2.39 5.85 -1.12 -2.92 115.31 113.92 3bg5 h LEU 298 Ca 0.27 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3bg5 h LEU 298 Cb 0.13 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3bg5 h LEU 298 CO -0.03 -0.27 -0.32 0.24 -0.34 0.00 0.00 178.44 177.72 3bg5 h MET 299 N -1.12 0.00 0.00 1.25 2.86 -1.23 -1.74 114.93 114.94 3bg5 h MET 299 Ca -0.08 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.41 3bg5 h MET 299 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3bg5 h MET 299 CO 0.13 0.32 -0.73 1.49 1.06 0.00 0.00 176.91 179.18 3bg5 h GLU 300 N 0.00 0.00 0.00 1.72 4.81 -1.24 -1.63 114.58 118.24 3bg5 h GLU 300 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3bg5 h GLU 300 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3bg5 h GLU 300 CO 0.04 0.73 -0.26 -0.97 -0.73 0.00 0.00 179.01 177.82 3bg5 h ASN 301 N 0.00 0.00 -0.20 1.04 -1.24 -1.12 -3.26 115.58 110.81 3bg5 h ASN 301 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3bg5 h ASN 301 Cb 1.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.59 3bg5 h ASN 301 CO 0.10 0.26 0.00 2.30 -1.29 0.00 0.00 177.43 178.80 3bg5 n ILE 302 N -3.32 0.94 -3.10 2.57 -6.64 -1.07 -5.02 119.36 103.73 3bg5 n ILE 302 Ca 0.01 -0.97 -0.13 0.00 -1.77 0.00 0.00 62.75 59.88 3bg5 n ILE 302 Cb 0.51 0.54 0.07 0.00 -1.44 0.00 0.00 39.64 39.31 3bg5 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3bg5 n LYS 303 N 0.13 -4.46 -2.40 6.28 5.02 -1.13 -4.95 118.16 116.65 3bg5 n LYS 303 Ca 0.07 0.70 -0.41 0.00 -2.02 0.00 0.00 58.31 56.64 3bg5 n LYS 303 Cb 0.34 -5.19 -0.03 0.00 -0.02 0.00 0.00 35.03 30.13 3bg5 n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3bg5 s TYR 304 N -3.30 3.44 -0.06 2.13 6.14 -0.63 -4.97 117.35 120.10 3bg5 s TYR 304 Ca 0.10 1.38 0.02 0.00 0.64 0.00 0.00 57.07 59.21 3bg5 s TYR 304 Cb -0.01 -3.42 -0.03 0.00 0.42 0.00 0.00 41.96 38.92 3bg5 s TYR 304 CO 0.60 -1.21 -0.13 0.08 0.64 0.00 0.00 175.55 175.53 3bg5 s VAL 305 N 0.36 3.20 0.00 3.14 1.01 -1.26 -4.38 120.40 122.47 3bg5 s VAL 305 Ca 0.55 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3bg5 s VAL 305 Cb -0.31 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3bg5 s VAL 305 CO 0.33 0.58 0.00 -3.20 0.00 0.00 0.00 175.10 172.82 3bg5 n ASN 306 N 2.46 -1.77 -4.73 3.32 2.85 0.28 -3.19 115.26 114.49 3bg5 n ASN 306 Ca -0.17 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.89 3bg5 n ASN 306 Cb 0.52 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.50 3bg5 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3bg5 s ALA 307 N -1.33 3.27 -0.04 5.20 0.00 -1.26 -1.88 121.76 125.73 3bg5 s ALA 307 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 3bg5 s ALA 307 Cb 0.00 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.95 3bg5 s ALA 307 CO 0.00 -0.00 0.48 0.20 0.00 0.00 0.00 175.76 176.43 3bg5 s GLY 308 N -0.04 -0.34 -0.08 0.00 0.00 -0.30 -2.93 107.32 103.63 3bg5 s GLY 308 Ca 0.45 0.80 -0.01 0.00 0.00 0.00 0.00 44.72 45.97 3bg5 s GLY 308 CO 0.28 0.53 -0.03 -1.59 0.00 0.00 0.00 173.10 172.29 3bg5 s THR 309 N -1.19 4.01 -0.34 0.90 2.01 -0.61 -1.14 115.64 119.29 3bg5 s THR 309 Ca -0.12 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3bg5 s THR 309 Cb -0.03 -2.67 0.07 0.00 0.01 0.00 0.00 72.50 69.88 3bg5 s THR 309 CO 0.07 0.60 0.08 -0.69 -0.69 0.00 0.00 174.62 173.99 3bg5 s VAL 310 N -0.80 3.23 0.32 3.82 1.01 -0.53 -1.19 120.40 126.26 3bg5 s VAL 310 Ca 0.12 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.34 3bg5 s VAL 310 Cb -0.11 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 3bg5 s VAL 310 CO 0.02 -0.30 0.86 -1.61 0.00 0.00 0.00 175.10 174.07 3bg5 s GLU 311 N 1.25 4.36 0.40 2.72 2.02 0.57 -1.70 118.70 128.32 3bg5 s GLU 311 Ca -0.00 1.09 0.05 0.00 0.02 0.00 0.00 54.97 56.12 3bg5 s GLU 311 Cb -0.21 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 3bg5 s GLU 311 CO -0.01 0.24 0.17 -0.06 0.02 0.00 0.00 175.26 175.61 3bg5 s PHE 312 N -1.74 1.77 -0.04 1.61 0.40 -0.04 -1.76 117.98 118.18 3bg5 s PHE 312 Ca 0.51 -1.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.44 3bg5 s PHE 312 Cb -0.15 -1.06 0.03 0.00 0.51 0.00 0.00 43.02 42.35 3bg5 s PHE 312 CO 0.20 -0.44 0.05 -1.17 0.70 0.00 0.00 175.22 174.57 3bg5 s LEU 313 N -3.56 0.24 -0.13 -0.37 2.96 -0.02 -3.92 118.68 113.87 3bg5 s LEU 313 Ca 0.27 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 3bg5 s LEU 313 Cb 0.02 -0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 3bg5 s LEU 313 CO 0.17 -0.24 0.03 -0.69 -1.32 0.00 0.00 176.35 174.31 3bg5 s VAL 314 N 2.06 4.56 -0.10 1.68 1.01 0.45 -2.63 120.40 127.43 3bg5 s VAL 314 Ca 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 3bg5 s VAL 314 Cb -0.12 -2.99 0.04 0.00 0.00 0.00 0.00 36.38 33.31 3bg5 s VAL 314 CO -0.03 0.54 0.26 -0.55 0.00 0.00 0.00 175.10 175.32 3bg5 s SER 315 N -0.30 -0.28 1.46 3.32 0.15 -1.23 -0.68 113.70 116.15 3bg5 s SER 315 Ca 0.07 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.26 3bg5 s SER 315 Cb -0.12 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 3bg5 s SER 315 CO 0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 3bg5 n GLY 317 N 3.53 1.91 2.52 9.45 0.00 -1.26 -1.97 105.19 119.37 3bg5 n GLY 317 Ca -0.18 0.41 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 3bg5 n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bg5 n ASP 318 N 9.32 3.37 -3.59 1.61 10.43 -1.26 -5.04 116.55 131.39 3bg5 n ASP 318 Ca 0.00 -3.24 -0.21 0.00 2.57 0.00 0.00 54.79 53.91 3bg5 n ASP 318 Cb 0.00 -0.47 -0.15 0.00 1.84 0.00 0.00 41.12 42.33 3bg5 n ASP 318 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3bg5 s GLU 319 N -3.43 0.09 0.53 -1.24 -1.05 -0.83 -5.14 118.70 107.62 3bg5 s GLU 319 Ca 0.40 0.20 -0.22 0.00 -0.15 0.00 0.00 54.97 55.20 3bg5 s GLU 319 Cb 0.41 -1.15 -0.06 0.00 -0.44 0.00 0.00 34.13 32.90 3bg5 s GLU 319 CO -0.07 -0.55 1.22 1.97 0.95 0.00 0.00 175.26 178.78 3bg5 n PHE 320 N 5.31 1.83 -3.49 4.83 1.16 -1.26 -3.51 117.46 122.32 3bg5 n PHE 320 Ca -0.06 0.45 -0.14 0.00 -1.87 0.00 0.00 57.45 55.84 3bg5 n PHE 320 Cb 0.49 -2.30 -0.11 0.00 -1.61 0.00 0.00 39.48 35.95 3bg5 n PHE 320 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3bg5 s PHE 321 N -1.33 -0.49 0.11 2.97 0.40 -1.08 -4.65 117.98 113.91 3bg5 s PHE 321 Ca 0.71 0.62 -0.31 0.00 -0.60 0.00 0.00 56.93 57.35 3bg5 s PHE 321 Cb -0.44 -0.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.84 3bg5 s PHE 321 CO 0.50 -0.58 1.70 0.12 0.70 0.00 0.00 175.22 177.66 3bg5 s PHE 322 N 2.42 2.49 -0.07 0.36 2.19 -0.90 -0.84 117.98 123.63 3bg5 s PHE 322 Ca 0.07 0.27 -0.10 0.00 0.33 0.00 0.00 56.93 57.50 3bg5 s PHE 322 Cb -0.15 -4.04 -0.03 0.00 -1.31 0.00 0.00 43.02 37.49 3bg5 s PHE 322 CO -0.12 -4.12 -0.20 -0.89 1.83 0.00 0.00 175.22 171.72 3bg5 n ILE 323 N 4.53 1.16 -3.96 3.12 2.08 -0.72 -4.76 119.36 120.82 3bg5 n ILE 323 Ca 0.16 0.25 -0.09 0.00 0.56 0.00 0.00 62.75 63.63 3bg5 n ILE 323 Cb 0.39 -1.97 -0.04 0.00 -0.75 0.00 0.00 39.64 37.27 3bg5 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3bg5 s GLU 324 N -2.33 1.62 -0.10 0.38 -1.05 -1.24 -4.98 118.70 111.01 3bg5 s GLU 324 Ca -0.16 -1.19 0.03 0.00 -0.15 0.00 0.00 54.97 53.50 3bg5 s GLU 324 Cb 0.02 0.51 0.01 0.00 -0.44 0.00 0.00 34.13 34.23 3bg5 s GLU 324 CO 0.24 -0.70 -0.20 0.08 0.95 0.00 0.00 175.26 175.63 3bg5 s VAL 325 N -3.97 1.81 -0.47 1.83 1.01 -1.26 -0.31 120.40 119.03 3bg5 s VAL 325 Ca 0.19 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 3bg5 s VAL 325 Cb -0.02 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.85 3bg5 s VAL 325 CO 0.09 0.50 0.38 0.20 0.00 0.00 0.00 175.10 176.27 3bg5 s ASN 326 N 0.53 6.03 -1.37 3.32 0.01 -0.33 -4.91 114.94 118.21 3bg5 s ASN 326 Ca -0.15 -1.45 -0.09 0.00 -0.71 0.00 0.00 52.86 50.46 3bg5 s ASN 326 Cb -0.17 -2.14 -0.07 0.00 0.41 0.00 0.00 41.25 39.28 3bg5 s ASN 326 CO 0.06 -0.66 2.92 -0.81 -1.51 0.00 0.00 177.10 177.10 3bg5 n PRO 327 N 5.14 3.66 -2.42 -0.60 -0.04 -1.26 -1.57 135.00 137.92 3bg5 n PRO 327 Ca -0.12 -2.31 0.01 0.00 -0.04 0.00 0.00 63.50 61.03 3bg5 n PRO 327 Cb 0.43 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 3bg5 n PRO 327 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3bg5 n ARG 328 N 3.04 0.03 -2.68 0.54 -4.01 -1.15 -4.61 116.66 107.84 3bg5 n ARG 328 Ca 0.71 -0.18 -0.33 0.00 -1.04 0.00 0.00 57.85 57.02 3bg5 n ARG 328 Cb 0.31 0.31 -0.06 0.00 -3.04 0.00 0.00 32.46 29.98 3bg5 n ARG 328 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 3bg5 s VAL 329 N -2.09 4.44 0.27 8.89 -7.23 -1.26 -4.08 120.40 119.33 3bg5 s VAL 329 Ca 0.08 1.39 0.07 0.00 -1.81 0.00 0.00 61.98 61.71 3bg5 s VAL 329 Cb -0.00 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 3bg5 s VAL 329 CO -0.00 -0.45 0.25 -1.10 -0.31 0.00 0.00 175.10 173.49 3bg5 s GLN 330 N -3.49 2.97 0.50 4.82 -0.21 -1.26 -4.63 119.66 118.36 3bg5 s GLN 330 Ca 0.61 -1.05 0.18 0.00 0.02 0.00 0.00 55.36 55.11 3bg5 s GLN 330 Cb -0.09 -2.61 1.24 0.00 1.00 0.00 0.00 33.01 32.55 3bg5 s GLN 330 CO 0.19 0.34 2.08 0.28 -2.12 0.00 0.00 175.29 176.07 3bg5 h VAL 331 N 1.38 0.92 -0.57 1.09 2.07 -1.99 -2.58 116.25 116.58 3bg5 h VAL 331 Ca -0.48 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 66.86 3bg5 h VAL 331 Cb 1.24 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 3bg5 h VAL 331 CO 0.60 0.02 0.19 -1.84 0.02 0.00 0.00 177.57 176.55 3bg5 n GLU 332 N -4.48 3.30 -0.31 1.57 0.00 -1.26 -4.48 120.64 114.97 3bg5 n GLU 332 Ca 0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 57.16 54.73 3bg5 n GLU 332 Cb 0.26 -2.04 0.11 0.00 0.00 0.00 0.00 31.44 29.78 3bg5 n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3bg5 h HIS 333 N 2.27 1.19 -0.75 -1.84 2.07 -1.87 -3.19 115.15 113.02 3bg5 h HIS 333 Ca 0.18 -0.02 0.17 0.00 -2.85 0.00 0.00 60.37 57.85 3bg5 h HIS 333 Cb 1.95 -0.38 -0.12 0.00 2.57 0.00 0.00 27.41 31.43 3bg5 h HIS 333 CO 1.00 0.82 0.13 1.15 -3.07 0.00 0.00 177.93 177.95 3bg5 h THR 334 N 1.22 0.44 -1.00 6.12 2.02 -1.86 -1.13 112.91 118.72 3bg5 h THR 334 Ca 0.31 -0.07 0.20 0.00 0.77 0.00 0.00 66.41 67.62 3bg5 h THR 334 Cb 0.01 0.22 -0.10 0.00 -1.74 0.00 0.00 68.15 66.54 3bg5 h THR 334 CO -0.05 0.04 0.61 -0.29 0.37 0.00 0.00 175.52 176.20 3bg5 h ILE 335 N 0.21 0.68 0.11 3.11 2.10 -1.92 0.24 117.51 122.04 3bg5 h ILE 335 Ca 0.42 -0.24 -0.28 0.00 1.08 0.00 0.00 64.86 65.83 3bg5 h ILE 335 Cb 0.75 -0.09 -0.00 0.00 -1.09 0.00 0.00 36.82 36.38 3bg5 h ILE 335 CO -0.57 0.13 -1.36 0.74 -1.08 0.00 0.00 178.15 176.01 3bg5 h THR 336 N 0.71 1.35 0.00 2.19 2.02 -1.41 -3.20 112.91 114.57 3bg5 h THR 336 Ca 0.58 -2.96 -0.01 0.00 0.77 0.00 0.00 66.41 64.78 3bg5 h THR 336 Cb 0.97 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 70.23 3bg5 h THR 336 CO -0.37 0.85 -0.05 -0.33 0.37 0.00 0.00 175.52 176.00 3bg5 h GLU 337 N 0.07 0.00 0.00 6.66 5.08 -0.53 -1.57 114.58 124.28 3bg5 h GLU 337 Ca -0.18 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.99 3bg5 h GLU 337 Cb 1.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 3bg5 h GLU 337 CO 0.18 0.05 -0.94 0.52 -1.00 0.00 0.00 179.01 177.82 3bg5 h MET 338 N 0.00 0.00 0.01 2.33 2.86 -1.01 -2.36 114.93 116.75 3bg5 h MET 338 Ca -0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 3bg5 h MET 338 Cb 0.10 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3bg5 h MET 338 CO 0.01 0.94 -1.97 1.33 1.06 0.00 0.00 176.91 178.27 3bg5 n VAL 339 N -3.41 1.54 0.03 -2.22 0.24 -1.04 -4.37 118.33 109.10 3bg5 n VAL 339 Ca -0.00 -0.81 -0.18 0.00 -2.04 0.00 0.00 64.34 61.31 3bg5 n VAL 339 Cb 0.89 -0.88 -0.14 0.00 -1.47 0.00 0.00 33.84 32.24 3bg5 n VAL 339 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3bg5 h THR 340 N 0.00 0.84 0.00 3.34 1.35 -1.44 0.40 112.91 117.40 3bg5 h THR 340 Ca -0.39 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 62.93 3bg5 h THR 340 Cb 2.09 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 71.11 3bg5 h THR 340 CO 0.06 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 3bg5 n GLY 341 N 1.82 0.87 3.76 5.82 0.00 -0.89 -4.77 105.19 111.79 3bg5 n GLY 341 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3bg5 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 342 N -2.05 5.32 -0.64 -0.61 1.09 -1.23 -5.03 121.20 118.05 3bg5 s ILE 342 Ca 0.00 0.15 -0.28 0.00 -1.10 0.00 0.00 60.65 59.42 3bg5 s ILE 342 Cb 0.00 -3.38 0.03 0.00 -1.06 0.00 0.00 42.46 38.04 3bg5 s ILE 342 CO 0.00 0.51 1.28 -0.62 -0.10 0.00 0.00 174.94 176.01 3bg5 s ASP 343 N -0.13 6.25 0.10 3.58 3.68 -1.26 -4.41 116.67 124.48 3bg5 s ASP 343 Ca 0.10 -0.07 -0.20 0.00 2.13 0.00 0.00 52.55 54.50 3bg5 s ASP 343 Cb -0.11 -2.55 -0.09 0.00 -1.45 0.00 0.00 42.92 38.71 3bg5 s ASP 343 CO 0.00 -1.69 1.66 0.40 0.13 0.00 0.00 175.17 175.68 3bg5 h ILE 344 N 6.16 1.14 0.03 4.11 2.04 -1.95 -2.55 117.51 126.50 3bg5 h ILE 344 Ca -0.26 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 3bg5 h ILE 344 Cb 1.06 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3bg5 h ILE 344 CO 1.22 0.13 -0.01 0.58 0.00 0.00 0.00 178.15 180.07 3bg5 h VAL 345 N 0.17 1.06 -0.59 1.67 2.07 -1.99 -1.88 116.25 116.75 3bg5 h VAL 345 Ca 0.06 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.44 3bg5 h VAL 345 Cb 0.13 1.23 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 3bg5 h VAL 345 CO -0.01 0.07 -0.15 0.50 0.02 0.00 0.00 177.57 178.00 3bg5 h LYS 346 N -0.16 -0.00 -0.80 1.57 1.63 -1.92 -1.87 116.57 115.02 3bg5 h LYS 346 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3bg5 h LYS 346 Cb 0.14 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 3bg5 h LYS 346 CO 0.01 -0.00 0.53 1.15 -3.45 0.00 0.00 179.45 177.69 3bg5 h THR 347 N -0.00 1.11 -0.07 1.00 2.02 -0.99 -2.51 112.91 113.46 3bg5 h THR 347 Ca 0.29 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3bg5 h THR 347 Cb 0.43 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 3bg5 h THR 347 CO -0.61 0.18 -0.19 1.56 0.37 0.00 0.00 175.52 176.82 3bg5 h GLN 348 N 0.97 -0.27 -0.23 6.66 4.20 -0.54 -0.24 115.11 125.66 3bg5 h GLN 348 Ca 0.32 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.07 3bg5 h GLN 348 Cb 0.07 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3bg5 h GLN 348 CO -0.10 -0.18 0.12 0.82 -0.67 0.00 0.00 178.83 178.82 3bg5 h ILE 349 N -0.28 1.00 -0.74 2.54 2.04 -1.39 -0.70 117.51 119.99 3bg5 h ILE 349 Ca 0.08 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3bg5 h ILE 349 Cb 0.39 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3bg5 h ILE 349 CO -0.23 0.04 0.41 -0.07 0.00 0.00 0.00 178.15 178.30 3bg5 h LEU 350 N 0.25 0.92 -0.33 1.44 3.38 -1.32 0.14 115.31 119.79 3bg5 h LEU 350 Ca 0.09 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3bg5 h LEU 350 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3bg5 h LEU 350 CO -0.06 0.75 0.17 0.58 0.09 0.00 0.00 178.44 179.97 3bg5 h VAL 351 N 1.02 1.00 -0.07 1.22 2.07 -0.68 -1.05 116.25 119.76 3bg5 h VAL 351 Ca 0.26 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 3bg5 h VAL 351 Cb 0.03 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3bg5 h VAL 351 CO -0.04 0.07 -0.00 0.00 0.02 0.00 0.00 177.57 177.61 3bg5 h ALA 352 N 1.16 1.87 0.00 1.67 0.00 -0.71 -0.66 119.26 122.60 3bg5 h ALA 352 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3bg5 h ALA 352 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bg5 h ALA 352 CO -0.08 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3bg5 n ALA 353 N -2.52 2.33 -0.57 0.00 0.00 0.44 -4.69 120.51 115.49 3bg5 n ALA 353 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3bg5 n ALA 353 Cb 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3bg5 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 354 N 0.72 0.76 3.77 0.00 0.00 -0.25 -0.54 105.19 109.65 3bg5 n GLY 354 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3bg5 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 s ALA 355 N -2.78 2.93 0.33 4.61 0.00 -0.58 -4.96 121.76 121.32 3bg5 s ALA 355 Ca 0.00 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 3bg5 s ALA 355 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 3bg5 s ALA 355 CO 0.00 -0.67 0.96 0.34 0.00 0.00 0.00 175.76 176.39 3bg5 s ASP 356 N -1.43 7.27 0.43 0.00 -1.08 -1.26 -4.48 116.67 116.12 3bg5 s ASP 356 Ca 0.65 1.86 0.09 0.00 -0.52 0.00 0.00 52.55 54.64 3bg5 s ASP 356 Cb -0.28 -2.58 0.96 0.00 -1.46 0.00 0.00 42.92 39.56 3bg5 s ASP 356 CO 0.33 -0.12 2.07 0.25 0.52 0.00 0.00 175.17 178.22 3bg5 h LEU 357 N 3.08 0.37 -3.27 -1.34 7.12 -1.94 -2.65 115.31 116.67 3bg5 h LEU 357 Ca -0.47 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 57.43 3bg5 h LEU 357 Cb 1.19 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 41.17 3bg5 h LEU 357 CO 0.65 0.26 -0.08 0.49 -0.13 0.00 0.00 178.44 179.63 3bg5 n PHE 357 N -4.49 0.88 -2.70 1.25 3.01 -1.26 -2.95 117.46 111.20 3bg5 n PHE 357 Ca 0.02 -1.34 -0.05 0.00 1.01 0.00 0.00 57.45 57.09 3bg5 n PHE 357 Cb 0.09 -0.40 0.02 0.00 -0.01 0.00 0.00 39.48 39.19 3bg5 n PHE 357 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 357 N -0.99 1.38 0.28 1.37 0.00 -1.00 -4.83 105.19 101.40 3bg5 n GLY 357 Ca 0.28 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.36 3bg5 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bg5 h GLU 358 N 0.00 0.00 0.00 1.61 4.39 -1.96 -1.79 114.58 116.83 3bg5 h GLU 358 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bg5 h GLU 358 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3bg5 h GLU 358 CO 0.09 0.07 0.00 0.39 -1.16 0.00 0.00 179.01 178.40 3bg5 n GLU 359 N -3.74 0.00 -0.02 2.33 4.71 -1.26 -4.50 120.64 118.15 3bg5 n GLU 359 Ca -0.02 0.44 -0.02 0.00 -0.01 0.00 0.00 57.16 57.55 3bg5 n GLU 359 Cb 0.17 -0.94 0.25 0.00 -1.01 0.00 0.00 31.44 29.91 3bg5 n GLU 359 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3bg5 h ILE 360 N 0.00 1.22 -1.24 -3.67 2.04 -1.74 -3.47 117.51 110.65 3bg5 h ILE 360 Ca 0.00 -0.90 -0.41 0.00 1.00 0.00 0.00 64.86 64.55 3bg5 h ILE 360 Cb 0.00 0.98 -0.15 0.00 -0.74 0.00 0.00 36.82 36.91 3bg5 h ILE 360 CO 0.00 0.31 -0.39 0.59 0.00 0.00 0.00 178.15 178.65 3bg5 n ASN 361 N -4.24 -5.39 -4.74 1.72 5.03 -0.67 -4.93 115.26 102.03 3bg5 n ASN 361 Ca 0.02 0.45 -0.42 0.00 0.87 0.00 0.00 54.58 55.50 3bg5 n ASN 361 Cb 0.28 -4.74 -0.02 0.00 -1.02 0.00 0.00 39.78 34.28 3bg5 n ASN 361 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3bg5 s MET 362 N -3.86 4.18 0.58 3.52 1.75 -1.15 -4.99 119.30 119.34 3bg5 s MET 362 Ca 0.00 2.47 -0.18 0.00 -1.25 0.00 0.00 55.69 56.73 3bg5 s MET 362 Cb 0.00 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.56 3bg5 s MET 362 CO 0.00 -0.57 1.11 -2.14 -0.65 0.00 0.00 175.02 172.77 3bg5 s PRO 362 N -0.12 3.19 0.67 4.11 0.02 -1.26 -4.62 135.00 136.98 3bg5 s PRO 362 Ca 0.64 1.48 -0.17 0.00 0.02 0.00 0.00 61.00 62.97 3bg5 s PRO 362 Cb -0.46 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.06 3bg5 s PRO 362 CO 0.43 -0.96 1.00 1.04 -0.33 0.00 0.00 177.00 178.19 3bg5 n GLN 363 N -1.74 0.70 -0.30 5.54 1.13 -1.26 -4.68 117.38 116.77 3bg5 n GLN 363 Ca 0.11 0.29 0.15 0.00 -1.94 0.00 0.00 57.00 55.61 3bg5 n GLN 363 Cb 0.52 -2.24 0.40 0.00 0.11 0.00 0.00 30.24 29.03 3bg5 n GLN 363 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3bg5 h GLN 364 N 0.08 0.60 0.00 -1.09 5.75 -1.95 0.43 115.11 118.93 3bg5 h GLN 364 Ca -0.48 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.98 3bg5 h GLN 364 Cb 1.35 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3bg5 h GLN 364 CO 0.49 0.40 0.00 0.36 -2.65 0.00 0.00 178.83 177.43 3bg5 n LYS 365 N -4.63 0.10 -0.01 1.69 2.85 -1.26 -3.09 118.16 113.81 3bg5 n LYS 365 Ca 0.21 0.31 0.10 0.00 -1.05 0.00 0.00 58.31 57.88 3bg5 n LYS 365 Cb 0.61 -1.68 -0.16 0.00 -0.65 0.00 0.00 35.03 33.16 3bg5 n LYS 365 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3bg5 n ASP 366 N -1.86 0.39 -4.69 -5.58 8.00 0.15 -4.92 116.55 108.03 3bg5 n ASP 366 Ca 0.03 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 3bg5 n ASP 366 Cb 0.22 1.87 -0.03 0.00 -0.02 0.00 0.00 41.12 43.17 3bg5 n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bg5 s ILE 367 N -3.38 4.25 0.02 0.53 1.01 -0.93 -4.95 121.20 117.76 3bg5 s ILE 367 Ca -0.07 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.17 3bg5 s ILE 367 Cb 0.13 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 3bg5 s ILE 367 CO 0.84 0.02 0.02 0.35 0.00 0.00 0.00 174.94 176.18 3bg5 n THR 368 N 4.47 0.00 -4.63 2.92 -2.24 -1.26 -5.01 114.28 108.53 3bg5 n THR 368 Ca 0.10 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 3bg5 n THR 368 Cb 0.46 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 3bg5 n THR 368 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3bg5 s THR 369 N -2.15 2.43 -0.27 4.28 -4.23 -1.26 -4.07 115.64 110.37 3bg5 s THR 369 Ca 0.02 -0.86 -0.13 0.00 -1.18 0.00 0.00 61.69 59.55 3bg5 s THR 369 Cb 0.00 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 3bg5 s THR 369 CO 0.01 0.53 0.28 -0.22 -0.54 0.00 0.00 174.62 174.68 3bg5 s LEU 370 N 0.77 4.04 0.00 4.79 2.96 0.14 -5.00 118.68 126.39 3bg5 s LEU 370 Ca -0.07 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3bg5 s LEU 370 Cb -0.16 -2.28 0.00 0.00 0.50 0.00 0.00 46.19 44.26 3bg5 s LEU 370 CO -0.00 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 3bg5 n GLY 371 N 4.77 0.74 3.09 7.98 0.00 -1.26 -4.49 105.19 116.01 3bg5 n GLY 371 Ca -0.11 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 3bg5 n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bg5 s TYR 372 N 0.00 1.13 0.11 1.61 1.51 0.12 -4.46 117.35 117.37 3bg5 s TYR 372 Ca 0.00 -0.23 0.09 0.00 -1.01 0.00 0.00 57.07 55.92 3bg5 s TYR 372 Cb 0.00 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.10 3bg5 s TYR 372 CO 0.00 -0.01 -0.22 0.00 -1.11 0.00 0.00 175.55 174.21 3bg5 s ALA 373 N -0.37 1.94 0.04 3.71 0.00 0.25 -2.23 121.76 125.09 3bg5 s ALA 373 Ca 0.04 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.74 3bg5 s ALA 373 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3bg5 s ALA 373 CO -0.00 0.38 -0.14 0.42 0.00 0.00 0.00 175.76 176.42 3bg5 s ILE 374 N -1.23 1.10 -0.08 0.00 1.01 -0.97 -0.50 121.20 120.54 3bg5 s ILE 374 Ca 0.09 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3bg5 s ILE 374 Cb -0.10 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.38 3bg5 s ILE 374 CO 0.05 -0.02 -0.16 -1.58 0.00 0.00 0.00 174.94 173.23 3bg5 s GLN 375 N -1.18 2.15 -0.10 2.79 0.74 -0.63 -2.12 119.66 121.31 3bg5 s GLN 375 Ca 0.01 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.85 3bg5 s GLN 375 Cb -0.08 -1.71 -0.03 0.00 1.10 0.00 0.00 33.01 32.29 3bg5 s GLN 375 CO 0.01 0.07 -0.06 0.00 -0.55 0.00 0.00 175.29 174.76 3bg5 s ARG 377 N -0.36 4.22 -0.29 0.00 0.52 -1.13 -1.52 118.95 120.39 3bg5 s ARG 377 Ca 0.05 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 3bg5 s ARG 377 Cb -0.12 -3.45 0.06 0.00 0.52 0.00 0.00 34.95 31.95 3bg5 s ARG 377 CO 0.02 0.18 -0.03 0.42 0.02 0.00 0.00 175.30 175.92 3bg5 s ILE 378 N 0.65 2.68 0.18 1.52 -1.09 -0.45 -4.95 121.20 119.74 3bg5 s ILE 378 Ca 0.15 -1.55 0.07 0.00 -2.23 0.00 0.00 60.65 57.10 3bg5 s ILE 378 Cb -0.13 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3bg5 s ILE 378 CO 0.04 -0.13 -0.15 0.42 -1.23 0.00 0.00 174.94 173.89 3bg5 s THR 379 N 1.18 1.63 0.54 2.92 -4.23 -1.26 -1.53 115.64 114.89 3bg5 s THR 379 Ca -0.05 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 58.67 3bg5 s THR 379 Cb -0.20 -1.89 0.38 0.00 1.34 0.00 0.00 72.50 72.14 3bg5 s THR 379 CO -0.03 -0.51 2.02 0.71 -0.54 0.00 0.00 174.62 176.26 3bg5 h THR 380 N 2.91 0.72 -0.72 3.99 1.35 -1.92 -3.35 112.91 115.89 3bg5 h THR 380 Ca -0.39 0.00 -0.79 0.00 -0.55 0.00 0.00 66.41 64.68 3bg5 h THR 380 Cb 1.21 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3bg5 h THR 380 CO 0.57 0.00 0.76 -0.62 -0.25 0.00 0.00 175.52 175.98 3bg5 n GLU 381 N -4.31 0.00 -2.00 4.72 1.02 -1.26 -4.49 120.64 114.32 3bg5 n GLU 381 Ca 0.08 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3bg5 n GLU 381 Cb 0.53 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 3bg5 n GLU 381 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bg5 s ASP 382 N 3.34 6.67 0.00 1.62 1.01 -1.16 -4.28 116.67 123.86 3bg5 s ASP 382 Ca 0.99 2.32 0.28 0.00 0.71 0.00 0.00 52.55 56.85 3bg5 s ASP 382 Cb -1.38 -2.55 1.14 0.00 1.01 0.00 0.00 42.92 41.15 3bg5 s ASP 382 CO 0.72 -0.88 1.85 -0.81 0.21 0.00 0.00 175.17 176.25 3bg5 n PRO 383 N 6.34 0.14 0.00 8.23 -0.04 -1.26 -0.54 135.00 147.87 3bg5 n PRO 383 Ca 0.16 -0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 3bg5 n PRO 383 Cb 0.42 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.70 3bg5 n PRO 383 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3bg5 n LEU 384 N -1.41 1.62 -3.28 1.53 4.77 -1.26 -4.70 117.00 114.26 3bg5 n LEU 384 Ca 0.09 -0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 55.47 3bg5 n LEU 384 Cb 0.32 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3bg5 n LEU 384 CO 0.28 0.28 -0.03 0.21 -1.33 0.00 0.00 177.39 176.80 3bg5 s ASN 385 N -2.27 -0.18 0.00 -1.43 2.47 -1.19 -5.05 114.94 107.29 3bg5 s ASN 385 Ca 0.28 -1.04 0.00 0.00 0.42 0.00 0.00 52.86 52.52 3bg5 s ASN 385 Cb 0.20 1.27 0.00 0.00 -1.45 0.00 0.00 41.25 41.27 3bg5 s ASN 385 CO 0.44 -0.23 0.00 0.47 -3.72 0.00 0.00 177.10 174.06 3bg5 n ASP 386 N 4.49 0.00 -4.20 -4.21 8.00 -1.25 -2.21 116.55 117.16 3bg5 n ASP 386 Ca 0.10 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.26 3bg5 n ASP 386 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.54 3bg5 n ASP 386 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3bg5 n PHE 387 N -0.11 -1.23 -3.45 1.24 3.72 0.30 -4.94 117.46 113.00 3bg5 n PHE 387 Ca 0.00 0.45 -0.40 0.00 -0.05 0.00 0.00 57.45 57.45 3bg5 n PHE 387 Cb 0.00 -2.67 -0.10 0.00 -0.94 0.00 0.00 39.48 35.78 3bg5 n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3bg5 s MET 388 N -7.25 3.79 0.25 -1.08 -1.94 -0.94 -4.74 119.30 107.39 3bg5 s MET 388 Ca 0.12 -0.26 -0.31 0.00 -1.71 0.00 0.00 55.69 53.52 3bg5 s MET 388 Cb -0.07 -3.72 -0.13 0.00 2.01 0.00 0.00 34.83 32.92 3bg5 s MET 388 CO 0.95 -0.36 1.44 -2.30 -0.01 0.00 0.00 175.02 174.74 3bg5 n PRO 389 N 5.27 2.15 -4.22 2.03 -0.02 -1.26 -3.00 135.00 135.96 3bg5 n PRO 389 Ca -0.10 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 3bg5 n PRO 389 Cb 0.50 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 3bg5 n PRO 389 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bg5 s ASP 390 N 0.31 4.94 0.04 2.55 3.68 -1.26 -4.93 116.67 122.00 3bg5 s ASP 390 Ca 0.67 -0.13 -0.30 0.00 2.13 0.00 0.00 52.55 54.93 3bg5 s ASP 390 Cb -0.62 -1.83 -0.04 0.00 -1.45 0.00 0.00 42.92 38.98 3bg5 s ASP 390 CO 0.50 0.13 0.98 -0.89 0.13 0.00 0.00 175.17 176.02 3bg5 s THR 391 N 0.61 4.71 0.00 1.71 2.01 -1.26 -4.92 115.64 118.50 3bg5 s THR 391 Ca -0.01 2.03 0.00 0.00 0.31 0.00 0.00 61.69 64.02 3bg5 s THR 391 Cb -0.14 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.07 3bg5 s THR 391 CO 0.02 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 3bg5 n GLY 392 N 2.70 -0.97 3.21 4.40 0.00 -1.26 -5.06 105.19 108.20 3bg5 n GLY 392 Ca 0.05 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 3bg5 n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s THR 393 N -2.00 2.26 0.17 2.61 2.01 -1.26 -1.67 115.64 117.76 3bg5 s THR 393 Ca 0.00 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 3bg5 s THR 393 Cb 0.00 -1.91 -0.08 0.00 0.01 0.00 0.00 72.50 70.52 3bg5 s THR 393 CO 0.00 0.54 1.20 -0.63 -0.69 0.00 0.00 174.62 175.04 3bg5 s ILE 394 N 0.76 3.59 -0.16 1.82 1.01 -1.25 -4.84 121.20 122.13 3bg5 s ILE 394 Ca -0.08 1.32 0.22 0.00 0.00 0.00 0.00 60.65 62.11 3bg5 s ILE 394 Cb -0.16 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.35 3bg5 s ILE 394 CO -0.00 0.20 0.83 2.30 0.00 0.00 0.00 174.94 178.26 3bg5 n ILE 395 N 2.66 0.46 -3.63 2.92 -5.35 -1.25 -4.28 119.36 110.90 3bg5 n ILE 395 Ca 0.05 -0.55 -0.13 0.00 -0.27 0.00 0.00 62.75 61.85 3bg5 n ILE 395 Cb 0.45 -0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.02 3bg5 n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bg5 s ALA 396 N -3.37 -1.82 -0.02 -1.28 0.00 -1.26 -4.39 121.76 109.62 3bg5 s ALA 396 Ca -0.03 1.99 0.03 0.00 0.00 0.00 0.00 51.96 53.95 3bg5 s ALA 396 Cb 0.11 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 3bg5 s ALA 396 CO 0.83 -0.32 -0.11 -0.47 0.00 0.00 0.00 175.76 175.69 3bg5 s TYR 397 N 0.33 1.08 -0.13 0.00 6.14 -1.26 -3.34 117.35 120.17 3bg5 s TYR 397 Ca 0.01 -0.25 -0.04 0.00 0.64 0.00 0.00 57.07 57.43 3bg5 s TYR 397 Cb -0.05 -0.73 0.05 0.00 0.42 0.00 0.00 41.96 41.65 3bg5 s TYR 397 CO -0.00 -0.07 0.07 1.03 0.64 0.00 0.00 175.55 177.21 3bg5 s ARG 398 N -0.02 0.16 0.00 4.97 0.52 -1.00 -5.00 118.95 118.58 3bg5 s ARG 398 Ca 0.00 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 3bg5 s ARG 398 Cb -0.07 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 33.95 3bg5 s ARG 398 CO 0.00 -0.54 0.00 0.43 0.02 0.00 0.00 175.30 175.21 3bg5 n SER 399 N 5.24 -0.69 0.00 0.23 7.64 -1.26 -3.54 113.62 121.23 3bg5 n SER 399 Ca -0.06 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.23 3bg5 n SER 399 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 3bg5 n SER 399 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3bg5 n SER 400 N -2.80 0.00 0.00 6.43 7.64 -1.26 -4.67 113.62 118.95 3bg5 n SER 400 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bg5 n SER 400 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3bg5 n SER 400 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bg5 n GLY 401 N 3.45 2.83 0.00 0.23 0.00 -1.26 -5.18 105.19 105.26 3bg5 n GLY 401 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3bg5 n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 402 N -0.64 1.25 3.66 -0.02 0.00 -1.26 -4.93 105.19 103.25 3bg5 n GLY 402 Ca 0.00 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 3bg5 n GLY 402 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bg5 s PHE 403 N -1.14 1.30 -0.97 1.61 2.19 -1.26 -3.23 117.98 116.48 3bg5 s PHE 403 Ca 0.00 -0.46 -0.11 0.00 0.33 0.00 0.00 56.93 56.69 3bg5 s PHE 403 Cb 0.00 -4.25 0.00 0.00 -1.31 0.00 0.00 43.02 37.46 3bg5 s PHE 403 CO 0.00 -5.59 0.71 0.41 1.83 0.00 0.00 175.22 172.58 3bg5 n GLY 404 N 4.54 -1.13 2.70 13.12 0.00 -1.26 -4.64 105.19 118.51 3bg5 n GLY 404 Ca 0.20 0.50 -0.30 0.00 0.00 0.00 0.00 46.02 46.42 3bg5 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bg5 s VAL 405 N -3.23 1.08 0.07 1.61 1.01 -1.20 -1.88 120.40 117.87 3bg5 s VAL 405 Ca 0.23 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 59.90 3bg5 s VAL 405 Cb -0.09 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3bg5 s VAL 405 CO 0.86 -0.82 1.07 -0.60 0.00 0.00 0.00 175.10 175.62 3bg5 s ARG 406 N 0.93 4.54 -0.53 2.72 6.06 0.44 -4.67 118.95 128.43 3bg5 s ARG 406 Ca 0.15 1.60 0.07 0.00 -2.50 0.00 0.00 55.73 55.05 3bg5 s ARG 406 Cb -0.21 -3.37 0.30 0.00 0.06 0.00 0.00 34.95 31.73 3bg5 s ARG 406 CO -0.09 -0.05 0.79 1.28 -2.50 0.00 0.00 175.30 174.73 3bg5 n LEU 407 N 3.43 3.04 -4.57 -0.88 4.77 -1.26 -2.04 117.00 119.50 3bg5 n LEU 407 Ca 0.06 -5.36 -0.16 0.00 -0.03 0.00 0.00 56.01 50.51 3bg5 n LEU 407 Cb 0.48 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 3bg5 n LEU 407 CO 0.53 2.22 1.21 -1.81 -1.33 0.00 0.00 177.39 178.21 3bg5 s ASP 408 N -2.69 3.96 -0.15 -1.43 1.01 -1.20 -4.92 116.67 111.25 3bg5 s ASP 408 Ca 0.43 -0.44 -0.23 0.00 0.71 0.00 0.00 52.55 53.02 3bg5 s ASP 408 Cb 0.24 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 3bg5 s ASP 408 CO -0.09 -3.98 0.70 0.00 0.21 0.00 0.00 175.17 172.01 3bg5 s ALA 409 N 14.73 3.47 0.00 5.23 0.00 -1.26 -2.63 121.76 141.30 3bg5 s ALA 409 Ca 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3bg5 s ALA 409 Cb -0.09 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3bg5 s ALA 409 CO 0.10 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3bg5 n GLY 410 N 3.47 -0.07 0.15 0.00 0.00 -1.08 -3.94 105.19 103.71 3bg5 n GLY 410 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3bg5 n GLY 410 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3bg5 h ASP 411 N 0.00 0.00 -3.42 1.61 3.32 -1.37 -3.44 116.42 113.12 3bg5 h ASP 411 Ca 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 3bg5 h ASP 411 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.31 3bg5 h ASP 411 CO 0.00 0.40 -0.41 -0.83 -1.72 0.00 0.00 179.24 176.67 3bg5 s GLY 412 N -4.44 2.00 0.11 2.75 0.00 -1.20 -4.85 107.32 101.69 3bg5 s GLY 412 Ca 0.04 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.74 3bg5 s GLY 412 CO 0.74 0.98 0.00 1.97 0.00 0.00 0.00 173.10 176.79 3bg5 n PHE 413 N 5.07 -1.35 0.00 1.90 1.16 -1.26 -4.94 117.46 118.04 3bg5 n PHE 413 Ca -0.11 0.23 0.00 0.00 -1.87 0.00 0.00 57.45 55.70 3bg5 n PHE 413 Cb 0.44 0.78 0.00 0.00 -1.61 0.00 0.00 39.48 39.09 3bg5 n PHE 413 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3bg5 n GLN 414 N -2.81 0.63 -2.27 3.97 1.13 -1.26 -4.56 117.38 112.21 3bg5 n GLN 414 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 3bg5 n GLN 414 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 3bg5 n GLN 414 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bg5 n GLY 415 N 5.00 5.77 3.69 1.08 0.00 -1.26 -4.61 105.19 114.86 3bg5 n GLY 415 Ca 0.00 -2.62 -0.37 0.00 0.00 0.00 0.00 46.02 43.03 3bg5 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 s ALA 416 N -3.86 3.56 0.34 4.61 0.00 -1.26 -4.75 121.76 120.41 3bg5 s ALA 416 Ca 0.49 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 3bg5 s ALA 416 Cb 0.39 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.88 3bg5 s ALA 416 CO -0.29 -0.14 1.31 -1.83 0.00 0.00 0.00 175.76 174.81 3bg5 s GLU 417 N 0.96 4.29 0.07 0.00 1.03 -1.26 -3.96 118.70 119.83 3bg5 s GLU 417 Ca 0.18 2.22 0.04 0.00 0.03 0.00 0.00 54.97 57.43 3bg5 s GLU 417 Cb -0.14 -3.02 -0.04 0.00 -0.80 0.00 0.00 34.13 30.13 3bg5 s GLU 417 CO 0.06 -0.24 0.03 0.96 -1.33 0.00 0.00 175.26 174.74 3bg5 s ILE 418 N -1.16 4.22 -0.02 1.83 -4.36 -0.67 -5.00 121.20 116.04 3bg5 s ILE 418 Ca 0.50 -0.84 -0.12 0.00 -0.26 0.00 0.00 60.65 59.93 3bg5 s ILE 418 Cb -0.40 -2.99 -0.05 0.00 1.25 0.00 0.00 42.46 40.27 3bg5 s ILE 418 CO 0.53 0.17 0.34 -0.55 0.24 0.00 0.00 174.94 175.67 3bg5 s SER 419 N -2.19 6.69 0.24 4.36 0.15 -1.26 -4.10 113.70 117.59 3bg5 s SER 419 Ca 0.26 0.82 0.22 0.00 0.70 0.00 0.00 55.95 57.95 3bg5 s SER 419 Cb -0.12 -2.20 0.96 0.00 -1.71 0.00 0.00 66.02 62.96 3bg5 s SER 419 CO 0.18 0.33 1.67 -0.81 1.20 0.00 0.00 173.24 175.80 3bg5 n PRO 420 N 1.73 0.17 0.19 5.44 -0.04 -1.26 -3.30 135.00 137.93 3bg5 n PRO 420 Ca -0.15 0.45 0.06 0.00 -0.04 0.00 0.00 63.50 63.82 3bg5 n PRO 420 Cb 0.53 -1.85 0.35 0.00 -0.04 0.00 0.00 33.50 32.49 3bg5 n PRO 420 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3bg5 h TYR 421 N 0.00 0.00 -3.04 0.54 -1.99 -1.98 -3.45 116.97 107.05 3bg5 h TYR 421 Ca 0.00 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.10 3bg5 h TYR 421 Cb 0.28 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.95 3bg5 h TYR 421 CO 0.00 0.36 -0.55 0.71 -0.00 0.00 0.00 178.16 178.68 3bg5 s TYR 422 N -3.67 3.36 -0.34 4.88 1.51 -1.21 -5.03 117.35 116.85 3bg5 s TYR 422 Ca -0.00 0.18 -0.37 0.00 -1.01 0.00 0.00 57.07 55.87 3bg5 s TYR 422 Cb 0.11 -1.70 -0.13 0.00 -0.11 0.00 0.00 41.96 40.14 3bg5 s TYR 422 CO 0.68 0.56 2.11 -0.25 -1.11 0.00 0.00 175.55 177.55 3bg5 n ASP 423 N 0.47 2.12 -2.33 2.29 8.00 -1.26 -4.78 116.55 121.06 3bg5 n ASP 423 Ca -0.08 0.55 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 3bg5 n ASP 423 Cb 0.51 -1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 40.29 3bg5 n ASP 423 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3bg5 n SER 424 N 8.91 4.17 -4.58 -2.24 3.41 -1.26 -4.85 113.62 117.17 3bg5 n SER 424 Ca 0.39 -2.23 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 3bg5 n SER 424 Cb 0.20 -1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 3bg5 n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3bg5 s LEU 425 N 0.02 3.42 -0.02 1.04 2.96 -1.26 -3.28 118.68 121.57 3bg5 s LEU 425 Ca 0.48 0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 55.19 3bg5 s LEU 425 Cb 0.21 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3bg5 s LEU 425 CO -0.01 -1.97 0.38 -0.07 -1.32 0.00 0.00 176.35 173.37 3bg5 h LEU 426 N 14.70 -0.14 -7.59 -0.68 3.38 -1.61 -2.74 115.31 120.64 3bg5 h LEU 426 Ca -0.30 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.47 3bg5 h LEU 426 Cb 1.16 0.04 -0.28 0.00 0.09 0.00 0.00 40.66 41.67 3bg5 h LEU 426 CO 1.12 0.03 -0.60 -0.69 0.09 0.00 0.00 178.44 178.39 3bg5 s VAL 427 N -2.12 -0.01 0.06 1.22 1.01 -0.76 -2.65 120.40 117.15 3bg5 s VAL 427 Ca -0.02 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 3bg5 s VAL 427 Cb 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 3bg5 s VAL 427 CO 0.07 0.01 0.64 -0.54 0.00 0.00 0.00 175.10 175.28 3bg5 s LYS 428 N 0.26 4.34 -0.17 2.72 1.02 -1.08 -1.34 119.74 125.50 3bg5 s LYS 428 Ca -0.02 0.85 -0.01 0.00 0.02 0.00 0.00 55.97 56.81 3bg5 s LYS 428 Cb -0.03 -3.29 0.05 0.00 -0.52 0.00 0.00 37.83 34.04 3bg5 s LYS 428 CO -0.01 0.49 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.73 3bg5 s LEU 429 N -0.66 1.33 -0.04 3.17 2.96 -0.57 -3.22 118.68 121.64 3bg5 s LEU 429 Ca 0.32 -0.66 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3bg5 s LEU 429 Cb -0.20 -0.72 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 3bg5 s LEU 429 CO 0.20 -0.24 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.36 3bg5 s SER 430 N 1.76 2.40 0.23 3.68 0.01 -0.86 -0.53 113.70 120.40 3bg5 s SER 430 Ca 0.00 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 56.94 3bg5 s SER 430 Cb -0.16 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 3bg5 s SER 430 CO -0.07 0.18 -0.10 0.42 0.41 0.00 0.00 173.24 174.08 3bg5 s THR 431 N -0.05 1.62 -0.16 1.44 -4.23 -0.90 -0.42 115.64 112.93 3bg5 s THR 431 Ca -0.03 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.22 3bg5 s THR 431 Cb -0.12 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.57 3bg5 s THR 431 CO 0.02 -0.47 0.40 -2.28 -0.54 0.00 0.00 174.62 171.76 3bg5 s HIS 432 N -3.04 -0.57 0.02 3.99 5.04 -0.79 -2.28 115.29 117.66 3bg5 s HIS 432 Ca 0.25 1.24 -0.27 0.00 -1.54 0.00 0.00 55.06 54.74 3bg5 s HIS 432 Cb 0.02 0.24 0.09 0.00 0.04 0.00 0.00 32.58 32.97 3bg5 s HIS 432 CO 0.09 -0.32 0.78 0.00 -2.34 0.00 0.00 174.74 172.95 3bg5 s ALA 433 N 1.20 -1.76 0.48 1.58 0.00 -0.95 -4.62 121.76 117.69 3bg5 s ALA 433 Ca -0.08 0.97 0.15 0.00 0.00 0.00 0.00 51.96 53.00 3bg5 s ALA 433 Cb -0.08 0.35 1.14 0.00 0.00 0.00 0.00 23.12 24.54 3bg5 s ALA 433 CO -0.10 -0.62 2.08 -0.84 0.00 0.00 0.00 175.76 176.28 3bg5 h ILE 434 N 2.22 1.06 -2.81 0.00 -0.00 -1.90 0.33 117.51 116.42 3bg5 h ILE 434 Ca -0.26 -0.29 -0.65 0.00 -0.00 0.00 0.00 64.86 63.66 3bg5 h ILE 434 Cb 1.24 1.15 -0.07 0.00 -0.00 0.00 0.00 36.82 39.13 3bg5 h ILE 434 CO 0.34 0.08 -0.51 -0.55 -0.00 0.00 0.00 178.15 177.52 3bg5 s SER 435 N -7.03 6.23 0.15 2.16 0.15 -1.26 -4.27 113.70 109.82 3bg5 s SER 435 Ca -0.05 0.36 -0.12 0.00 0.70 0.00 0.00 55.95 56.84 3bg5 s SER 435 Cb 0.16 -1.95 0.02 0.00 -1.71 0.00 0.00 66.02 62.54 3bg5 s SER 435 CO 0.68 0.33 1.60 0.15 1.20 0.00 0.00 173.24 177.20 3bg5 h PHE 436 N 4.36 0.98 -0.96 3.44 3.57 -1.90 -0.68 116.94 125.74 3bg5 h PHE 436 Ca -0.51 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 60.84 3bg5 h PHE 436 Cb 1.20 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 3bg5 h PHE 436 CO 0.70 0.92 0.63 0.87 -2.23 0.00 0.00 178.31 179.20 3bg5 h LYS 437 N 0.76 1.20 -0.03 1.11 6.56 -1.95 0.33 116.57 124.56 3bg5 h LYS 437 Ca 0.14 -0.07 -0.17 0.00 -1.06 0.00 0.00 60.65 59.49 3bg5 h LYS 437 Cb 0.53 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 3bg5 h LYS 437 CO 0.03 0.80 -0.74 1.96 -2.06 0.00 0.00 179.45 179.43 3bg5 h GLN 438 N 1.24 0.19 0.00 3.15 4.20 -1.88 -2.09 115.11 119.92 3bg5 h GLN 438 Ca 0.38 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 3bg5 h GLN 438 Cb -0.03 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3bg5 h GLN 438 CO -0.11 0.85 -0.40 0.00 -0.67 0.00 0.00 178.83 178.50 3bg5 h ALA 439 N 1.10 0.92 0.60 3.87 0.00 -0.85 -2.72 119.26 122.18 3bg5 h ALA 439 Ca -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3bg5 h ALA 439 Cb 1.31 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3bg5 h ALA 439 CO 0.11 0.50 -0.29 1.49 0.00 0.00 0.00 179.25 181.06 3bg5 h GLU 440 N 0.00 -0.78 0.00 0.00 4.81 -0.69 -2.66 114.58 115.26 3bg5 h GLU 440 Ca -0.00 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3bg5 h GLU 440 Cb 1.00 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3bg5 h GLU 440 CO 0.05 -0.49 -0.03 1.05 -0.73 0.00 0.00 179.01 178.86 3bg5 h GLU 441 N -1.16 0.00 -0.30 1.92 4.11 -1.45 0.27 114.58 117.97 3bg5 h GLU 441 Ca -0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.17 3bg5 h GLU 441 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 3bg5 h GLU 441 CO 0.14 0.03 -0.51 -0.22 0.07 0.00 0.00 179.01 178.52 3bg5 h LYS 442 N 0.00 0.87 -0.25 1.06 3.64 -1.52 -2.60 116.57 117.78 3bg5 h LYS 442 Ca -0.00 -0.54 -0.17 0.00 -1.27 0.00 0.00 60.65 58.67 3bg5 h LYS 442 Cb 0.27 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3bg5 h LYS 442 CO 0.00 1.18 -0.51 1.98 -2.27 0.00 0.00 179.45 179.83 3bg5 h MET 443 N 0.66 0.79 0.02 1.90 4.05 -0.73 -2.96 114.93 118.65 3bg5 h MET 443 Ca 0.02 -0.52 0.01 0.00 -0.28 0.00 0.00 59.70 58.94 3bg5 h MET 443 Cb 1.12 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.96 3bg5 h MET 443 CO 0.12 1.14 -0.09 0.28 0.23 0.00 0.00 176.91 178.58 3bg5 h VAL 444 N 0.54 0.77 -0.54 -5.77 2.07 -1.04 0.46 116.25 112.74 3bg5 h VAL 444 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3bg5 h VAL 444 Cb 1.12 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3bg5 h VAL 444 CO 0.11 0.00 0.25 -0.09 0.02 0.00 0.00 177.57 177.86 3bg5 h ARG 445 N -0.17 0.78 -0.74 1.57 1.12 -1.54 -0.15 114.38 115.25 3bg5 h ARG 445 Ca 0.03 -0.12 0.01 0.00 -1.11 0.00 0.00 59.98 58.79 3bg5 h ARG 445 Cb 0.20 -0.14 -0.04 0.00 -0.01 0.00 0.00 29.97 29.99 3bg5 h ARG 445 CO -0.08 0.66 0.49 0.77 -3.11 0.00 0.00 179.97 178.69 3bg5 h SER 446 N 0.73 0.84 -0.16 -3.80 0.02 -1.39 -0.17 113.55 109.61 3bg5 h SER 446 Ca 0.18 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3bg5 h SER 446 Cb 0.14 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3bg5 h SER 446 CO -0.02 0.61 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.12 3bg5 h LEU 447 N 0.99 0.47 -0.03 5.07 3.38 -0.32 -2.56 115.31 122.31 3bg5 h LEU 447 Ca 0.28 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 3bg5 h LEU 447 Cb -0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3bg5 h LEU 447 CO -0.07 0.59 -0.57 0.03 0.09 0.00 0.00 178.44 178.52 3bg5 h ARG 448 N 0.46 0.00 0.00 1.13 3.08 -0.64 -3.21 114.38 115.20 3bg5 h ARG 448 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3bg5 h ARG 448 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3bg5 h ARG 448 CO 0.02 0.57 -0.02 0.93 -1.07 0.00 0.00 179.97 180.40 3bg5 h GLU 449 N 0.00 0.00 -7.00 0.04 5.08 -0.82 -3.46 114.58 108.42 3bg5 h GLU 449 Ca -0.01 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3bg5 h GLU 449 Cb 1.43 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.78 3bg5 h GLU 449 CO 0.07 0.00 0.62 -1.64 -1.00 0.00 0.00 179.01 177.06 3bg5 s MET 450 N -3.15 3.59 -0.21 2.33 -1.94 -0.98 -4.81 119.30 114.12 3bg5 s MET 450 Ca 0.09 2.20 -0.04 0.00 -1.71 0.00 0.00 55.69 56.23 3bg5 s MET 450 Cb 0.09 -2.52 0.09 0.00 2.01 0.00 0.00 34.83 34.51 3bg5 s MET 450 CO 0.63 -0.82 0.20 1.03 -0.01 0.00 0.00 175.02 176.06 3bg5 s ARG 451 N -2.58 0.18 -0.12 2.03 0.52 -1.23 -5.01 118.95 112.75 3bg5 s ARG 451 Ca 0.64 0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.95 3bg5 s ARG 451 Cb -0.39 -1.25 0.02 0.00 0.52 0.00 0.00 34.95 33.85 3bg5 s ARG 451 CO 0.49 -0.71 -0.15 0.42 0.02 0.00 0.00 175.30 175.36 3bg5 s ILE 452 N 2.29 1.50 0.45 1.52 1.01 -1.26 -2.38 121.20 124.33 3bg5 s ILE 452 Ca 0.07 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3bg5 s ILE 452 Cb -0.16 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 3bg5 s ILE 452 CO -0.15 0.44 0.01 -0.13 0.00 0.00 0.00 174.94 175.12 3bg5 s ARG 453 N 1.09 2.05 0.00 2.79 0.52 -1.21 -4.75 118.95 119.43 3bg5 s ARG 453 Ca -0.04 -2.23 0.00 0.00 -0.52 0.00 0.00 55.73 52.93 3bg5 s ARG 453 Cb -0.14 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.79 3bg5 s ARG 453 CO -0.03 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.50 3bg5 n GLY 454 N -1.09 2.05 3.91 -3.53 0.00 -1.26 -3.80 105.19 101.47 3bg5 n GLY 454 Ca -0.11 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3bg5 n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bg5 s VAL 455 N 0.00 5.11 -0.36 1.61 -7.23 -1.26 -5.08 120.40 113.19 3bg5 s VAL 455 Ca 0.00 -0.03 -0.07 0.00 -1.81 0.00 0.00 61.98 60.06 3bg5 s VAL 455 Cb 0.00 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.30 3bg5 s VAL 455 CO 0.00 -0.13 0.15 -0.54 -0.31 0.00 0.00 175.10 174.27 3bg5 s LYS 456 N -3.11 2.61 0.63 4.82 3.01 -1.26 -4.93 119.74 121.51 3bg5 s LYS 456 Ca 0.42 -1.25 0.02 0.00 -1.01 0.00 0.00 55.97 54.14 3bg5 s LYS 456 Cb -0.11 -3.56 0.09 0.00 -1.01 0.00 0.00 37.83 33.23 3bg5 s LYS 456 CO 0.27 -0.74 0.88 0.95 0.51 0.00 0.00 175.35 177.21 3bg5 s THR 457 N 1.41 2.35 -2.00 2.17 -4.23 -1.26 -4.42 115.64 109.66 3bg5 s THR 457 Ca 0.00 -0.68 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 3bg5 s THR 457 Cb -0.20 -2.67 0.22 0.00 1.34 0.00 0.00 72.50 71.18 3bg5 s THR 457 CO 0.03 0.00 1.19 -0.46 -0.54 0.00 0.00 174.62 174.84 3bg5 n ASN 458 N -2.56 0.00 0.11 3.99 0.23 -1.26 -4.47 115.26 111.31 3bg5 n ASN 458 Ca 0.12 -1.51 -0.15 0.00 -0.53 0.00 0.00 54.58 52.51 3bg5 n ASN 458 Cb 0.60 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.21 3bg5 n ASN 458 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3bg5 h ILE 459 N 0.00 0.00 -0.82 1.53 2.04 -1.93 -2.55 117.51 115.78 3bg5 h ILE 459 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3bg5 h ILE 459 Cb 0.00 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.03 3bg5 h ILE 459 CO 0.00 0.00 0.53 1.55 0.00 0.00 0.00 178.15 180.23 3bg5 h PRO 460 N -0.70 0.83 0.08 2.37 0.13 -1.95 0.13 132.00 132.88 3bg5 h PRO 460 Ca -0.01 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3bg5 h PRO 460 Cb 0.70 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 3bg5 h PRO 460 CO -0.25 0.55 -0.30 0.35 -0.23 0.00 0.00 178.00 178.11 3bg5 h PHE 461 N 0.85 -0.82 -0.16 1.56 3.57 -1.78 -3.09 116.94 117.06 3bg5 h PHE 461 Ca 0.36 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 3bg5 h PHE 461 Cb 0.31 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3bg5 h PHE 461 CO -0.00 -0.40 0.10 -0.07 -2.23 0.00 0.00 178.31 175.70 3bg5 h LEU 462 N -0.50 0.19 -0.69 0.59 3.38 -0.34 -2.10 115.31 115.84 3bg5 h LEU 462 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3bg5 h LEU 462 Cb 0.55 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3bg5 h LEU 462 CO -0.21 0.15 0.17 0.40 0.09 0.00 0.00 178.44 179.04 3bg5 h ILE 463 N 0.22 1.26 -0.50 1.22 2.04 -1.33 -2.78 117.51 117.64 3bg5 h ILE 463 Ca 0.06 -0.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3bg5 h ILE 463 Cb -0.01 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3bg5 h ILE 463 CO -0.01 0.37 0.15 0.78 0.00 0.00 0.00 178.15 179.43 3bg5 h ASN 464 N 1.04 0.68 -0.01 1.72 4.21 -1.37 -2.03 115.58 119.83 3bg5 h ASN 464 Ca 0.22 -0.10 -0.08 0.00 1.21 0.00 0.00 56.30 57.55 3bg5 h ASN 464 Cb 0.37 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 3bg5 h ASN 464 CO 0.00 0.66 -0.21 0.58 -1.29 0.00 0.00 177.43 177.17 3bg5 h VAL 465 N 0.72 1.24 0.00 2.81 2.07 -1.40 -2.84 116.25 118.84 3bg5 h VAL 465 Ca 0.17 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 3bg5 h VAL 465 Cb 0.23 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3bg5 h VAL 465 CO -0.01 0.35 -0.41 0.24 0.02 0.00 0.00 177.57 177.76 3bg5 h MET 466 N 0.34 0.00 -1.30 1.57 2.86 -1.18 -3.21 114.93 114.01 3bg5 h MET 466 Ca 0.06 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 57.00 3bg5 h MET 466 Cb 0.56 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.92 3bg5 h MET 466 CO 0.04 0.41 0.78 1.63 1.06 0.00 0.00 176.91 180.82 3bg5 n LYS 467 N -3.22 2.79 -4.04 1.72 4.76 -0.81 -4.90 118.16 114.47 3bg5 n LYS 467 Ca 0.02 -3.45 -0.34 0.00 -2.87 0.00 0.00 58.31 51.67 3bg5 n LYS 467 Cb 0.69 -2.28 -0.15 0.00 -1.84 0.00 0.00 35.03 31.44 3bg5 n LYS 467 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3bg5 s ASN 468 N -1.77 3.62 0.51 4.39 3.84 -1.19 -4.97 114.94 119.37 3bg5 s ASN 468 Ca 0.60 -0.59 0.16 0.00 0.21 0.00 0.00 52.86 53.24 3bg5 s ASN 468 Cb 0.48 -1.58 1.24 0.00 -0.55 0.00 0.00 41.25 40.84 3bg5 s ASN 468 CO -0.14 -0.02 2.14 0.11 -2.79 0.00 0.00 177.10 176.40 3bg5 h LYS 469 N 8.00 0.02 0.00 0.43 1.57 -1.92 0.10 116.57 124.77 3bg5 h LYS 469 Ca -0.43 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3bg5 h LYS 469 Cb 1.14 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3bg5 h LYS 469 CO 0.62 0.02 -0.44 1.63 -0.57 0.00 0.00 179.45 180.71 3bg5 n LYS 470 N -4.52 0.26 0.03 3.15 5.02 -1.26 -1.42 118.16 119.42 3bg5 n LYS 470 Ca -0.03 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.16 3bg5 n LYS 470 Cb 0.10 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 33.27 3bg5 n LYS 470 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3bg5 h PHE 471 N 0.00 0.52 -0.66 2.13 3.04 -1.43 -3.33 116.94 117.22 3bg5 h PHE 471 Ca 0.00 -0.38 -0.04 0.00 3.98 0.00 0.00 57.97 61.53 3bg5 h PHE 471 Cb 0.72 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 3bg5 h PHE 471 CO 0.00 1.52 0.26 1.15 -2.02 0.00 0.00 178.31 179.22 3bg5 h THR 472 N -0.25 1.24 -0.70 4.41 2.02 -0.93 -3.09 112.91 115.61 3bg5 h THR 472 Ca -0.27 -0.76 0.13 0.00 0.77 0.00 0.00 66.41 66.28 3bg5 h THR 472 Cb 1.80 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 68.61 3bg5 h THR 472 CO 0.10 0.30 0.24 0.77 0.37 0.00 0.00 175.52 177.30 3bg5 h SER 473 N 0.94 0.17 0.00 4.18 4.64 -1.39 -3.47 113.55 118.62 3bg5 h SER 473 Ca 0.22 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3bg5 h SER 473 Cb 0.21 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3bg5 h SER 473 CO -0.02 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3bg5 n GLY 474 N -1.32 3.15 3.49 -0.77 0.00 -1.17 -4.62 105.19 103.95 3bg5 n GLY 474 Ca 0.12 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3bg5 n GLY 474 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bg5 s ASP 475 N 0.00 6.22 0.00 1.61 1.11 -1.26 -4.63 116.67 119.73 3bg5 s ASP 475 Ca 0.00 -0.93 0.02 0.00 0.18 0.00 0.00 52.55 51.82 3bg5 s ASP 475 Cb 0.00 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 3bg5 s ASP 475 CO 0.00 -1.54 -0.07 -0.72 1.18 0.00 0.00 175.17 174.02 3bg5 s TYR 476 N 4.54 0.59 0.78 4.23 1.13 -1.26 -4.89 117.35 122.48 3bg5 s TYR 476 Ca 0.28 -0.17 -0.08 0.00 -1.41 0.00 0.00 57.07 55.70 3bg5 s TYR 476 Cb -0.12 -0.37 0.12 0.00 -1.10 0.00 0.00 41.96 40.49 3bg5 s TYR 476 CO 0.09 -0.02 1.10 0.95 -2.51 0.00 0.00 175.55 175.16 3bg5 s THR 477 N -0.34 2.16 -2.00 -3.49 -4.23 -1.26 -4.83 115.64 101.64 3bg5 s THR 477 Ca 0.01 -0.29 0.21 0.00 -1.18 0.00 0.00 61.69 60.44 3bg5 s THR 477 Cb -0.04 -2.87 0.60 0.00 1.34 0.00 0.00 72.50 71.53 3bg5 s THR 477 CO -0.00 0.00 1.64 0.35 -0.54 0.00 0.00 174.62 176.07 3bg5 n THR 478 N -3.14 0.00 0.71 3.99 -2.24 -0.75 -2.14 114.28 110.71 3bg5 n THR 478 Ca 0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 3bg5 n THR 478 Cb 0.60 -0.64 0.10 0.00 -2.10 0.00 0.00 70.33 68.29 3bg5 n THR 478 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bg5 n LYS 479 N -0.98 1.79 -0.31 -0.78 4.76 -1.26 -4.64 118.16 116.74 3bg5 n LYS 479 Ca 0.16 -1.73 0.17 0.00 -2.87 0.00 0.00 58.31 54.03 3bg5 n LYS 479 Cb 0.07 -1.38 0.36 0.00 -1.84 0.00 0.00 35.03 32.24 3bg5 n LYS 479 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3bg5 h PHE 480 N 3.79 0.61 0.53 2.13 3.57 -1.72 -2.73 116.94 123.11 3bg5 h PHE 480 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3bg5 h PHE 480 Cb 0.82 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.44 3bg5 h PHE 480 CO 0.04 -0.16 -0.25 0.82 -2.23 0.00 0.00 178.31 176.52 3bg5 h ILE 481 N 0.29 0.12 -0.91 1.41 2.04 -1.85 -3.01 117.51 115.60 3bg5 h ILE 481 Ca 0.62 -0.49 0.14 0.00 1.00 0.00 0.00 64.86 66.13 3bg5 h ILE 481 Cb 1.30 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 3bg5 h ILE 481 CO -0.62 0.02 0.52 -0.33 0.00 0.00 0.00 178.15 177.75 3bg5 h GLU 482 N -1.14 0.76 -0.05 2.37 5.08 -1.85 -0.14 114.58 119.60 3bg5 h GLU 482 Ca -0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3bg5 h GLU 482 Cb 0.58 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3bg5 h GLU 482 CO 0.12 0.50 0.00 -0.85 -1.00 0.00 0.00 179.01 177.78 3bg5 n GLU 483 N -4.76 1.35 -3.88 2.33 0.28 -1.05 -4.23 120.64 110.68 3bg5 n GLU 483 Ca 0.18 -0.52 -0.29 0.00 -0.16 0.00 0.00 57.16 56.37 3bg5 n GLU 483 Cb 0.41 -1.41 -0.12 0.00 1.43 0.00 0.00 31.44 31.74 3bg5 n GLU 483 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3bg5 s THR 484 N -1.94 2.65 0.19 3.84 2.01 -0.06 -4.97 115.64 117.34 3bg5 s THR 484 Ca 0.36 -3.90 0.23 0.00 0.31 0.00 0.00 61.69 58.69 3bg5 s THR 484 Cb 0.18 -2.77 0.22 0.00 0.01 0.00 0.00 72.50 70.15 3bg5 s THR 484 CO 0.29 -0.96 1.85 1.55 -0.69 0.00 0.00 174.62 176.66 3bg5 h PRO 485 N 5.73 0.00 0.00 4.92 0.13 -1.74 -3.10 132.00 137.95 3bg5 h PRO 485 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3bg5 h PRO 485 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3bg5 h PRO 485 CO 0.69 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.84 3bg5 n GLU 486 N -3.46 0.55 0.04 0.86 0.00 -1.26 -1.96 120.64 115.41 3bg5 n GLU 486 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3bg5 n GLU 486 Cb 0.41 -1.50 0.53 0.00 0.00 0.00 0.00 31.44 30.89 3bg5 n GLU 486 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3bg5 n LEU 487 N -1.00 0.29 -1.22 -1.84 4.32 -1.17 -2.82 117.00 113.55 3bg5 n LEU 487 Ca 0.13 0.51 0.05 0.00 -0.02 0.00 0.00 56.01 56.68 3bg5 n LEU 487 Cb 0.06 -0.43 0.24 0.00 -1.62 0.00 0.00 43.42 41.67 3bg5 n LEU 487 CO 0.10 -0.06 0.64 0.49 -1.22 0.00 0.00 177.39 177.35 3bg5 n PHE 488 N -1.76 1.11 -2.94 -1.77 3.01 -0.83 -4.60 117.46 109.68 3bg5 n PHE 488 Ca 0.06 -0.41 -0.43 0.00 1.01 0.00 0.00 57.45 57.69 3bg5 n PHE 488 Cb 0.37 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 3bg5 n PHE 488 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3bg5 s ASP 489 N -0.61 6.43 -0.13 4.37 3.68 -1.13 -5.04 116.67 124.24 3bg5 s ASP 489 Ca 0.33 -0.07 -0.07 0.00 2.13 0.00 0.00 52.55 54.86 3bg5 s ASP 489 Cb 0.23 -2.40 -0.04 0.00 -1.45 0.00 0.00 42.92 39.26 3bg5 s ASP 489 CO 0.13 -0.94 0.14 -0.63 0.13 0.00 0.00 175.17 174.00 3bg5 s ILE 490 N 3.36 5.50 -0.16 4.11 1.09 -1.26 -4.78 121.20 129.06 3bg5 s ILE 490 Ca 0.31 0.21 -0.08 0.00 -1.10 0.00 0.00 60.65 59.99 3bg5 s ILE 490 Cb -0.12 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.83 3bg5 s ILE 490 CO 0.23 0.60 0.11 -1.58 -0.10 0.00 0.00 174.94 174.20 3bg5 s GLN 491 N -0.90 3.79 -1.03 2.79 2.00 -1.26 -5.02 119.66 120.03 3bg5 s GLN 491 Ca 0.14 -0.23 -0.20 0.00 -2.00 0.00 0.00 55.36 53.07 3bg5 s GLN 491 Cb -0.12 -3.25 -0.08 0.00 0.80 0.00 0.00 33.01 30.36 3bg5 s GLN 491 CO 0.03 0.49 2.00 -0.35 -0.50 0.00 0.00 175.29 176.96 3bg5 n PRO 492 N 2.89 1.97 -2.35 1.67 -0.04 -1.26 -4.92 135.00 132.97 3bg5 n PRO 492 Ca -0.18 -2.20 -0.41 0.00 -0.04 0.00 0.00 63.50 60.67 3bg5 n PRO 492 Cb 0.53 -3.14 -0.03 0.00 -0.04 0.00 0.00 33.50 30.83 3bg5 n PRO 492 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3bg5 s SER 493 N 4.63 6.01 0.35 3.54 1.04 -1.26 -4.99 113.70 123.02 3bg5 s SER 493 Ca 0.56 0.23 -0.27 0.00 0.48 0.00 0.00 55.95 56.95 3bg5 s SER 493 Cb 0.12 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.60 3bg5 s SER 493 CO 0.06 -1.81 1.11 -0.76 0.98 0.00 0.00 173.24 172.82 3bg5 s LEU 494 N 6.45 4.34 -0.86 2.42 1.02 -1.26 -5.01 118.68 125.78 3bg5 s LEU 494 Ca 0.53 2.24 -0.05 0.00 0.02 0.00 0.00 54.13 56.87 3bg5 s LEU 494 Cb -0.11 -3.89 0.22 0.00 0.02 0.00 0.00 46.19 42.43 3bg5 s LEU 494 CO 0.23 -0.39 0.76 -0.62 0.02 0.00 0.00 176.35 176.35 3bg5 s ASP 495 N -1.13 6.16 0.40 2.29 -1.08 -1.26 -4.94 116.67 117.12 3bg5 s ASP 495 Ca 0.52 -3.36 0.07 0.00 -0.52 0.00 0.00 52.55 49.25 3bg5 s ASP 495 Cb -0.29 -1.99 0.83 0.00 -1.46 0.00 0.00 42.92 40.01 3bg5 s ASP 495 CO 0.37 -0.30 2.04 0.03 0.52 0.00 0.00 175.17 177.83 3bg5 h ARG 496 N 6.61 0.58 0.06 4.34 -0.00 -1.97 -2.15 114.38 121.86 3bg5 h ARG 496 Ca 0.12 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.56 3bg5 h ARG 496 Cb 0.89 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.73 3bg5 h ARG 496 CO 0.83 0.39 -0.03 0.78 0.00 0.00 0.00 179.97 181.94 3bg5 h GLY 497 N 0.60 -0.08 0.72 0.04 0.00 -1.97 -1.07 103.07 101.31 3bg5 h GLY 497 Ca 0.18 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.63 3bg5 h GLY 497 CO -0.04 -0.03 0.60 -0.84 0.00 0.00 0.00 176.54 176.23 3bg5 h THR 498 N -0.13 1.00 -0.34 4.70 2.02 -1.87 -1.32 112.91 116.98 3bg5 h THR 498 Ca -0.01 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.70 3bg5 h THR 498 Cb 0.11 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 3bg5 h THR 498 CO 0.01 0.18 -0.35 0.11 0.37 0.00 0.00 175.52 175.85 3bg5 h LYS 499 N 0.98 0.76 0.03 6.66 1.57 -0.92 -0.94 116.57 124.70 3bg5 h LYS 499 Ca 0.42 -0.37 -0.22 0.00 -1.87 0.00 0.00 60.65 58.61 3bg5 h LYS 499 Cb 0.34 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3bg5 h LYS 499 CO -0.18 0.99 -1.03 1.79 -0.57 0.00 0.00 179.45 180.44 3bg5 h THR 500 N 0.64 1.65 -0.88 -0.16 1.35 -0.78 -1.17 112.91 113.55 3bg5 h THR 500 Ca 0.06 -3.26 -0.00 0.00 -0.55 0.00 0.00 66.41 62.66 3bg5 h THR 500 Cb 0.88 2.83 -0.04 0.00 -1.73 0.00 0.00 68.15 70.09 3bg5 h THR 500 CO 0.08 0.94 0.54 -0.07 -0.25 0.00 0.00 175.52 176.76 3bg5 h LEU 501 N 0.02 1.05 -0.56 3.87 3.38 -1.20 -1.16 115.31 120.72 3bg5 h LEU 501 Ca -0.04 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 3bg5 h LEU 501 Cb 1.78 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3bg5 h LEU 501 CO 0.15 0.80 -0.32 -0.33 0.09 0.00 0.00 178.44 178.83 3bg5 h GLU 502 N 1.22 0.81 0.31 1.13 5.08 -1.01 -1.57 114.58 120.55 3bg5 h GLU 502 Ca 0.32 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3bg5 h GLU 502 Cb -0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3bg5 h GLU 502 CO -0.06 1.02 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.90 3bg5 h TYR 503 N 0.69 -0.38 -0.50 4.33 5.03 -1.00 -1.77 116.97 123.36 3bg5 h TYR 503 Ca 0.07 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.43 3bg5 h TYR 503 Cb 0.87 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 39.22 3bg5 h TYR 503 CO 0.05 -0.09 0.20 0.82 -1.32 0.00 0.00 178.16 177.82 3bg5 h ILE 504 N -0.66 0.87 -0.51 1.81 2.04 -1.27 -1.42 117.51 118.37 3bg5 h ILE 504 Ca -0.04 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3bg5 h ILE 504 Cb 0.46 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3bg5 h ILE 504 CO 0.07 0.07 0.28 1.23 0.00 0.00 0.00 178.15 179.81 3bg5 h GLY 505 N 0.40 0.72 0.96 5.37 0.00 -1.28 0.16 103.07 109.40 3bg5 h GLY 505 Ca 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3bg5 h GLY 505 CO -0.22 0.16 0.18 -0.57 0.00 0.00 0.00 176.54 176.09 3bg5 h ASN 506 N 0.56 0.61 -0.19 0.19 -0.00 -0.81 -2.26 115.58 113.69 3bg5 h ASN 506 Ca 0.22 -0.17 -0.19 0.00 -0.00 0.00 0.00 56.30 56.16 3bg5 h ASN 506 Cb 0.07 -0.16 0.01 0.00 -0.00 0.00 0.00 38.32 38.24 3bg5 h ASN 506 CO -0.12 0.61 -0.61 0.58 -0.00 0.00 0.00 177.43 177.89 3bg5 h VAL 507 N 0.58 1.30 -0.30 2.57 2.07 -1.05 0.20 116.25 121.62 3bg5 h VAL 507 Ca 0.15 -1.83 0.06 0.00 0.82 0.00 0.00 66.70 65.90 3bg5 h VAL 507 Cb 0.19 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 3bg5 h VAL 507 CO -0.01 0.58 -0.08 0.74 0.02 0.00 0.00 177.57 178.82 3bg5 h THR 508 N 0.46 0.70 0.03 2.57 2.02 -0.94 0.32 112.91 118.06 3bg5 h THR 508 Ca -0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3bg5 h THR 508 Cb 1.23 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3bg5 h THR 508 CO 0.13 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 176.11 3bg5 h ILE 509 N -0.00 1.62 -0.01 3.11 2.04 -1.38 -3.38 117.51 119.50 3bg5 h ILE 509 Ca 0.14 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.79 3bg5 h ILE 509 Cb 0.22 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 3bg5 h ILE 509 CO -0.31 0.60 -0.52 0.59 0.00 0.00 0.00 178.15 178.51 3bg5 n ASN 510 N -4.45 1.85 -0.04 1.72 3.02 0.70 -4.96 115.26 113.11 3bg5 n ASN 510 Ca -0.11 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 3bg5 n ASN 510 Cb 0.57 0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 40.26 3bg5 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 511 N 1.43 -2.08 3.04 7.41 0.00 0.11 -4.97 105.19 110.12 3bg5 n GLY 511 Ca 0.09 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 3bg5 n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bg5 s PHE 512 N -0.12 0.88 0.16 1.61 5.36 -1.26 -4.46 117.98 120.15 3bg5 s PHE 512 Ca 0.00 -0.17 -0.34 0.00 -0.96 0.00 0.00 56.93 55.46 3bg5 s PHE 512 Cb 0.00 -0.57 -0.14 0.00 -0.34 0.00 0.00 43.02 41.97 3bg5 s PHE 512 CO 0.00 -0.01 1.54 -2.30 -1.46 0.00 0.00 175.22 172.99 3bg5 n PRO 513 N 2.81 2.07 -0.95 10.12 -0.02 -1.26 -1.93 135.00 145.83 3bg5 n PRO 513 Ca -0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3bg5 n PRO 513 Cb 0.57 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3bg5 n PRO 513 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bg5 n ASN 515 N 3.23 -3.78 -4.30 2.55 3.02 -1.26 -4.99 115.26 109.73 3bg5 n ASN 515 Ca 0.16 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.37 3bg5 n ASN 515 Cb 0.28 -1.94 -0.14 0.00 -0.61 0.00 0.00 39.78 37.37 3bg5 n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bg5 s VAL 516 N -1.64 3.32 -0.05 2.41 1.01 -0.81 -4.83 120.40 119.81 3bg5 s VAL 516 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3bg5 s VAL 516 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3bg5 s VAL 516 CO 0.00 0.42 1.50 -0.70 0.00 0.00 0.00 175.10 176.32 3bg5 s GLU 517 N 1.47 4.23 -0.56 2.72 -6.30 -1.26 -4.54 118.70 114.45 3bg5 s GLU 517 Ca 0.06 2.03 -0.27 0.00 -2.50 0.00 0.00 54.97 54.29 3bg5 s GLU 517 Cb -0.14 -3.78 -0.10 0.00 0.00 0.00 0.00 34.13 30.12 3bg5 s GLU 517 CO -0.04 -0.72 2.45 1.63 0.02 0.00 0.00 175.26 178.60 3bg5 n LYS 518 N 6.32 0.91 -3.90 4.30 4.76 -1.26 -4.89 118.16 124.40 3bg5 n LYS 518 Ca 0.15 0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 3bg5 n LYS 518 Cb 0.43 -3.08 -0.03 0.00 -1.84 0.00 0.00 35.03 30.51 3bg5 n LYS 518 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3bg5 n ARG 519 N 8.88 0.67 -2.37 1.97 1.85 -1.26 -5.14 116.66 121.26 3bg5 n ARG 519 Ca 0.42 -2.72 -0.42 0.00 -1.00 0.00 0.00 57.85 54.13 3bg5 n ARG 519 Cb 0.44 2.61 -0.03 0.00 -1.05 0.00 0.00 32.46 34.43 3bg5 n ARG 519 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3bg5 s PRO 520 N -2.79 4.43 -0.04 2.89 0.04 -1.26 -4.94 135.00 133.33 3bg5 s PRO 520 Ca 0.28 1.85 -0.38 0.00 0.04 0.00 0.00 61.00 62.79 3bg5 s PRO 520 Cb -0.01 -3.30 -0.16 0.00 0.04 0.00 0.00 34.50 31.07 3bg5 s PRO 520 CO 0.20 -0.24 1.53 1.17 0.04 0.00 0.00 177.00 179.70 3bg5 n LYS 521 N 3.57 1.29 0.00 4.56 4.81 -1.26 -5.01 118.16 126.12 3bg5 n LYS 521 Ca 0.08 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3bg5 n LYS 521 Cb 0.45 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3bg5 n LYS 521 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3bg5 n PRO 522 N 3.82 2.54 -3.77 1.64 -0.02 -1.26 -4.57 135.00 133.39 3bg5 n PRO 522 Ca 0.21 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.41 3bg5 n PRO 522 Cb 0.18 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.71 3bg5 n PRO 522 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3bg5 n ASP 523 N 0.00 -5.36 -0.02 2.55 9.92 -1.26 -4.95 116.55 117.43 3bg5 n ASP 523 Ca 0.00 -0.67 -0.13 0.00 -0.53 0.00 0.00 54.79 53.46 3bg5 n ASP 523 Cb 0.00 -4.26 -0.10 0.00 -0.64 0.00 0.00 41.12 36.12 3bg5 n ASP 523 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 3bg5 h TYR 524 N -2.22 0.01 -3.31 1.24 3.20 -1.97 -3.41 116.97 110.50 3bg5 h TYR 524 Ca -0.57 -0.00 -0.72 0.00 3.14 0.00 0.00 58.73 60.58 3bg5 h TYR 524 Cb 1.37 -0.00 -0.21 0.00 1.54 0.00 0.00 36.73 39.43 3bg5 h TYR 524 CO 0.55 0.53 -0.20 -2.00 -1.64 0.00 0.00 178.16 175.40 3bg5 s GLU 525 N -4.09 3.03 -1.13 1.82 2.56 -1.26 -4.98 118.70 114.66 3bg5 s GLU 525 Ca -0.16 -1.15 -0.07 0.00 0.00 0.00 0.00 54.97 53.59 3bg5 s GLU 525 Cb 0.01 -4.10 -0.06 0.00 2.00 0.00 0.00 34.13 31.98 3bg5 s GLU 525 CO 0.68 -1.07 2.93 1.28 -0.56 0.00 0.00 175.26 178.52 3bg5 n LEU 526 N 5.54 7.70 -4.51 2.70 4.77 -1.26 -4.91 117.00 127.04 3bg5 n LEU 526 Ca -0.10 -4.24 -0.42 0.00 -0.03 0.00 0.00 56.01 51.22 3bg5 n LEU 526 Cb 0.45 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 3bg5 n LEU 526 CO 0.49 1.97 1.13 0.00 -1.33 0.00 0.00 177.39 179.65 3bg5 s ALA 527 N 0.75 2.95 0.59 -1.18 0.00 -1.26 -5.00 121.76 118.61 3bg5 s ALA 527 Ca 0.64 -2.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.37 3bg5 s ALA 527 Cb 0.23 -4.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 3bg5 s ALA 527 CO -0.07 -3.21 1.26 -1.54 0.00 0.00 0.00 175.76 172.20 3bg5 s SER 528 N 4.08 5.06 -0.21 0.00 1.04 -1.26 -4.93 113.70 117.48 3bg5 s SER 528 Ca 0.35 2.54 -0.23 0.00 0.48 0.00 0.00 55.95 59.08 3bg5 s SER 528 Cb -0.07 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 3bg5 s SER 528 CO 0.01 -1.69 0.75 -0.63 0.98 0.00 0.00 173.24 172.66 3bg5 s ILE 529 N -1.47 4.92 0.36 -1.02 1.01 -1.26 -5.03 121.20 118.72 3bg5 s ILE 529 Ca 0.77 1.42 -0.28 0.00 0.00 0.00 0.00 60.65 62.56 3bg5 s ILE 529 Cb -0.35 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 37.96 3bg5 s ILE 529 CO 0.38 0.02 1.50 -2.84 0.00 0.00 0.00 174.94 174.00 3bg5 s PRO 530 N 2.33 4.12 0.05 2.79 0.02 -1.26 -5.02 135.00 138.02 3bg5 s PRO 530 Ca 0.33 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3bg5 s PRO 530 Cb -0.16 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 3bg5 s PRO 530 CO 0.10 -0.54 -0.04 -0.08 -0.33 0.00 0.00 177.00 176.11 3bg5 s THR 531 N -0.94 0.29 -0.01 0.99 -1.32 -1.26 -4.59 115.64 108.81 3bg5 s THR 531 Ca 0.54 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 59.56 3bg5 s THR 531 Cb -0.46 -1.07 -0.01 0.00 -1.51 0.00 0.00 72.50 69.45 3bg5 s THR 531 CO 0.60 -0.77 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.47 3bg5 s VAL 532 N -2.87 0.68 0.67 5.08 1.01 -1.26 -4.92 120.40 118.79 3bg5 s VAL 532 Ca -0.01 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 3bg5 s VAL 532 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.81 3bg5 s VAL 532 CO -0.05 0.20 1.22 -0.94 0.00 0.00 0.00 175.10 175.53 3bg5 s SER 533 N -0.17 4.59 0.18 3.32 1.04 -1.26 -4.78 113.70 116.62 3bg5 s SER 533 Ca 0.03 2.41 -0.11 0.00 0.48 0.00 0.00 55.95 58.76 3bg5 s SER 533 Cb -0.04 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.57 3bg5 s SER 533 CO -0.00 -2.00 1.70 0.28 0.98 0.00 0.00 173.24 174.20 3bg5 h SER 534 N 0.22 0.92 0.12 7.02 0.02 -1.99 -2.94 113.55 116.92 3bg5 h SER 534 Ca -0.49 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.25 3bg5 h SER 534 Cb 1.30 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 3bg5 h SER 534 CO 0.52 0.89 -0.51 0.28 -1.14 0.00 0.00 176.83 176.87 3bg5 h SER 535 N 0.90 -1.54 -0.49 3.07 0.02 -1.98 0.37 113.55 113.89 3bg5 h SER 535 Ca 0.20 0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.41 3bg5 h SER 535 Cb 0.31 0.57 -0.10 0.00 0.14 0.00 0.00 62.40 63.32 3bg5 h SER 535 CO -0.00 -0.54 -0.24 0.11 -1.14 0.00 0.00 176.83 175.01 3bg5 h LYS 536 N -0.74 -0.12 -0.76 3.45 1.57 -1.94 -1.60 116.57 116.43 3bg5 h LYS 536 Ca -0.01 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3bg5 h LYS 536 Cb 0.74 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3bg5 h LYS 536 CO -0.27 -0.08 0.37 0.82 -0.57 0.00 0.00 179.45 179.71 3bg5 h ILE 537 N -0.13 1.24 -0.23 1.86 2.04 -1.29 -1.68 117.51 119.32 3bg5 h ILE 537 Ca 0.23 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.49 3bg5 h ILE 537 Cb 0.49 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3bg5 h ILE 537 CO -0.57 0.28 0.26 0.00 0.00 0.00 0.00 178.15 178.12 3bg5 h ALA 538 N 1.19 1.88 0.00 1.87 0.00 0.71 -1.27 119.26 123.64 3bg5 h ALA 538 Ca 0.26 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 3bg5 h ALA 538 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3bg5 h ALA 538 CO -0.03 -0.38 -1.30 0.66 0.00 0.00 0.00 179.25 178.20 3bg5 h SER 538 N 0.00 0.00 -3.20 0.00 4.64 -0.89 -3.48 113.55 110.62 3bg5 h SER 538 Ca 0.11 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.86 3bg5 h SER 538 Cb 0.62 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.82 3bg5 h SER 538 CO -0.00 0.75 0.49 0.49 -0.87 0.00 0.00 176.83 177.69 3bg5 n PHE 538 N -3.06 2.20 -3.78 4.77 0.99 -0.48 -4.99 117.46 113.12 3bg5 n PHE 538 Ca -0.09 0.55 -0.28 0.00 -0.00 0.00 0.00 57.45 57.63 3bg5 n PHE 538 Cb 0.90 -2.41 -0.16 0.00 -1.00 0.00 0.00 39.48 36.81 3bg5 n PHE 538 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3bg5 s SER 539 N -0.27 3.22 0.00 4.37 0.15 -1.26 -4.79 113.70 115.12 3bg5 s SER 539 Ca 0.57 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3bg5 s SER 539 Cb -0.58 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 3bg5 s SER 539 CO 0.61 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.36 3bg5 n GLY 540 N 4.95 5.36 0.27 9.45 0.00 -1.20 -4.99 105.19 119.03 3bg5 n GLY 540 Ca -0.09 -1.40 0.18 0.00 0.00 0.00 0.00 46.02 44.72 3bg5 n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bg5 h THR 541 N 0.00 0.00 0.28 2.61 1.35 -1.76 -1.17 112.91 114.23 3bg5 h THR 541 Ca 0.00 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 3bg5 h THR 541 Cb 0.00 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3bg5 h THR 541 CO 0.00 0.00 -0.14 0.50 -0.25 0.00 0.00 175.52 175.63 3bg5 h LYS 542 N 0.00 -0.37 -0.79 4.72 3.11 -1.71 -2.37 116.57 119.16 3bg5 h LYS 542 Ca 0.00 0.03 0.04 0.00 -2.81 0.00 0.00 60.65 57.91 3bg5 h LYS 542 Cb 0.21 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.48 3bg5 h LYS 542 CO 0.00 -0.04 0.52 1.96 -2.81 0.00 0.00 179.45 179.08 3bg5 h GLN 543 N -0.74 0.92 -0.03 1.90 7.50 -1.54 -2.21 115.11 120.92 3bg5 h GLN 543 Ca -0.04 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 59.07 3bg5 h GLN 543 Cb 0.50 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 3bg5 h GLN 543 CO 0.06 0.61 -0.03 1.25 -1.50 0.00 0.00 178.83 179.22 3bg5 h LEU 544 N 0.95 -0.10 -0.90 1.46 5.85 -1.22 -1.44 115.31 119.91 3bg5 h LEU 544 Ca 0.32 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.19 3bg5 h LEU 544 Cb 0.08 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 3bg5 h LEU 544 CO -0.10 -0.05 0.52 0.25 -0.34 0.00 0.00 178.44 178.72 3bg5 h LEU 545 N -0.05 0.71 -1.83 2.25 5.85 -0.93 0.18 115.31 121.49 3bg5 h LEU 545 Ca 0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3bg5 h LEU 545 Cb 0.08 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3bg5 h LEU 545 CO -0.06 0.36 -0.11 0.44 -0.34 0.00 0.00 178.44 178.73 3bg5 h ASP 546 N 0.80 0.00 0.00 1.25 3.32 -0.78 -1.73 116.42 119.28 3bg5 h ASP 546 Ca 0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.46 3bg5 h ASP 546 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3bg5 h ASP 546 CO -0.30 0.11 -0.81 -0.62 -1.72 0.00 0.00 179.24 175.90 3bg5 n GLU 547 N -3.45 0.49 -0.02 3.56 -0.58 -0.32 -4.79 120.64 115.54 3bg5 n GLU 547 Ca -0.01 0.45 0.02 0.00 -0.42 0.00 0.00 57.16 57.20 3bg5 n GLU 547 Cb 0.26 -1.64 -0.13 0.00 -0.57 0.00 0.00 31.44 29.36 3bg5 n GLU 547 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3bg5 n VAL 548 N -4.54 0.79 0.00 2.62 0.24 -0.10 -5.10 118.33 112.23 3bg5 n VAL 548 Ca -0.14 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 3bg5 n VAL 548 Cb 0.40 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3bg5 n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bg5 n GLY 549 N 1.44 -0.33 0.22 7.63 0.00 -0.65 -3.76 105.19 109.75 3bg5 n GLY 549 Ca -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 3bg5 n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bg5 h PRO 550 N 0.00 0.39 -0.52 1.61 0.13 -1.81 -0.17 132.00 131.63 3bg5 h PRO 550 Ca 0.00 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 3bg5 h PRO 550 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 3bg5 h PRO 550 CO 0.00 0.26 0.17 0.87 -0.23 0.00 0.00 178.00 179.06 3bg5 h LYS 551 N 0.40 0.76 -0.04 0.86 1.57 -1.96 -2.55 116.57 115.62 3bg5 h LYS 551 Ca 0.28 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3bg5 h LYS 551 Cb 0.31 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3bg5 h LYS 551 CO -0.27 0.66 0.02 0.78 -0.57 0.00 0.00 179.45 180.07 3bg5 h GLY 552 N 0.91 0.06 0.74 3.86 0.00 -1.19 -2.22 103.07 105.24 3bg5 h GLY 552 Ca 0.17 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.52 3bg5 h GLY 552 CO -0.01 0.02 0.24 -2.08 0.00 0.00 0.00 176.54 174.71 3bg5 h VAL 553 N 0.01 0.96 -0.48 4.60 2.07 -0.91 0.17 116.25 122.68 3bg5 h VAL 553 Ca 0.01 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.42 3bg5 h VAL 553 Cb 0.04 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3bg5 h VAL 553 CO -0.00 0.09 0.22 0.00 0.02 0.00 0.00 177.57 177.89 3bg5 h ALA 554 N 1.26 0.60 -0.58 1.67 0.00 -1.40 0.21 119.26 121.01 3bg5 h ALA 554 Ca 0.21 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3bg5 h ALA 554 Cb 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3bg5 h ALA 554 CO -0.15 -0.14 0.32 0.93 0.00 0.00 0.00 179.25 180.20 3bg5 h GLU 555 N 0.43 0.59 -0.56 0.00 4.39 -0.72 -2.62 114.58 116.09 3bg5 h GLU 555 Ca 0.21 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3bg5 h GLU 555 Cb 0.15 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3bg5 h GLU 555 CO -0.17 0.39 0.13 2.35 -1.16 0.00 0.00 179.01 180.55 3bg5 h TRP 556 N 0.61 0.90 0.31 4.33 7.01 0.27 -3.06 115.95 126.31 3bg5 h TRP 556 Ca 0.26 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 3bg5 h TRP 556 Cb 0.14 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 3bg5 h TRP 556 CO -0.09 0.75 -0.15 0.28 -2.79 0.00 0.00 178.44 176.45 3bg5 h VAL 557 N 0.84 0.70 0.00 2.65 2.07 -0.25 -2.63 116.25 119.63 3bg5 h VAL 557 Ca 0.18 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3bg5 h VAL 557 Cb 0.31 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3bg5 h VAL 557 CO -0.00 0.00 0.00 0.07 0.02 0.00 0.00 177.57 177.66 3bg5 h LYS 558 N -0.41 0.00 0.00 1.57 2.10 -1.58 -1.70 116.57 116.55 3bg5 h LYS 558 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3bg5 h LYS 558 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3bg5 h LYS 558 CO 0.07 0.00 0.00 -0.22 -2.00 0.00 0.00 179.45 177.30 3bg5 h LYS 559 N 0.00 0.00 -6.06 0.07 3.64 -1.36 -3.44 116.57 109.42 3bg5 h LYS 559 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3bg5 h LYS 559 Cb 0.41 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 3bg5 h LYS 559 CO 0.00 0.00 0.19 -0.65 -2.27 0.00 0.00 179.45 176.72 3bg5 s GLN 560 N -3.32 4.42 0.04 1.90 -1.52 -0.64 -4.98 119.66 115.57 3bg5 s GLN 560 Ca 0.06 0.98 -0.13 0.00 -1.95 0.00 0.00 55.36 54.32 3bg5 s GLN 560 Cb 0.09 -3.48 -0.34 0.00 -0.22 0.00 0.00 33.01 29.06 3bg5 s GLN 560 CO 0.54 -0.04 1.04 0.22 -0.25 0.00 0.00 175.29 176.80 3bg5 h ASP 561 N 6.90 0.74 -4.21 5.90 3.58 -1.86 -3.46 116.42 124.01 3bg5 h ASP 561 Ca -0.38 -0.79 -0.53 0.00 0.42 0.00 0.00 57.03 55.75 3bg5 h ASP 561 Cb 1.19 -0.24 0.16 0.00 1.72 0.00 0.00 39.33 42.16 3bg5 h ASP 561 CO 0.77 1.62 0.35 -1.81 -2.88 0.00 0.00 179.24 177.29 3bg5 s ASP 562 N -7.48 3.98 -0.15 2.28 1.01 -1.26 -4.83 116.67 110.23 3bg5 s ASP 562 Ca -0.08 2.25 -0.29 0.00 0.71 0.00 0.00 52.55 55.14 3bg5 s ASP 562 Cb 0.05 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 3bg5 s ASP 562 CO 0.93 -2.40 1.16 -0.69 0.21 0.00 0.00 175.17 174.38 3bg5 s VAL 563 N -2.24 4.44 0.35 -1.27 1.01 -0.44 -4.90 120.40 117.35 3bg5 s VAL 563 Ca 0.71 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 64.32 3bg5 s VAL 563 Cb -0.26 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 3bg5 s VAL 563 CO 0.49 -0.10 0.72 -0.76 0.00 0.00 0.00 175.10 175.46 3bg5 s LEU 564 N 2.93 3.96 0.06 3.92 1.43 -0.76 -1.61 118.68 128.60 3bg5 s LEU 564 Ca 0.51 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.82 3bg5 s LEU 564 Cb -0.20 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 3bg5 s LEU 564 CO 0.15 -0.28 -0.16 -1.48 0.23 0.00 0.00 176.35 174.80 3bg5 s LEU 565 N -3.41 2.22 -0.18 1.79 0.05 -1.26 -1.89 118.68 116.00 3bg5 s LEU 565 Ca 0.52 -0.54 -0.02 0.00 0.05 0.00 0.00 54.13 54.13 3bg5 s LEU 565 Cb -0.10 -0.68 -0.01 0.00 -2.05 0.00 0.00 46.19 43.35 3bg5 s LEU 565 CO 0.25 0.03 -0.09 -0.89 -0.55 0.00 0.00 176.35 175.10 3bg5 s THR 566 N -1.00 3.10 -0.05 5.48 2.01 -0.45 -0.95 115.64 123.78 3bg5 s THR 566 Ca 0.02 -0.61 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 3bg5 s THR 566 Cb -0.09 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3bg5 s THR 566 CO 0.02 0.48 0.80 -0.62 -0.69 0.00 0.00 174.62 174.60 3bg5 s ASP 567 N 1.04 7.10 0.00 3.53 2.15 -1.02 -0.34 116.67 129.13 3bg5 s ASP 567 Ca -0.00 1.33 0.14 0.00 0.43 0.00 0.00 52.55 54.45 3bg5 s ASP 567 Cb -0.15 -2.46 0.30 0.00 -0.30 0.00 0.00 42.92 40.31 3bg5 s ASP 567 CO -0.01 -0.19 1.20 0.35 -0.17 0.00 0.00 175.17 176.35 3bg5 n THR 568 N 3.90 0.68 -0.27 1.71 -2.24 0.15 -0.70 114.28 117.52 3bg5 n THR 568 Ca 0.02 -0.84 0.08 0.00 -2.27 0.00 0.00 64.05 61.03 3bg5 n THR 568 Cb 0.51 0.75 0.22 0.00 -2.10 0.00 0.00 70.33 69.71 3bg5 n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3bg5 h THR 569 N 2.61 0.54 0.00 4.28 2.02 -1.80 0.12 112.91 120.69 3bg5 h THR 569 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3bg5 h THR 569 Cb 0.72 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3bg5 h THR 569 CO 0.00 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.45 3bg5 n PHE 570 N -5.08 0.00 0.00 3.16 3.72 -1.26 -4.25 117.46 113.75 3bg5 n PHE 570 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3bg5 n PHE 570 Cb 0.50 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3bg5 n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3bg5 n ARG 571 N -1.37 0.00 0.09 -1.08 0.00 0.30 -4.68 116.66 109.92 3bg5 n ARG 571 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.90 3bg5 n ARG 571 Cb 0.19 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.85 3bg5 n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3bg5 h ASP 572 N 0.00 0.26 -0.19 6.15 -0.00 -1.48 -2.29 116.42 118.87 3bg5 h ASP 572 Ca 0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 57.03 56.95 3bg5 h ASP 572 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.23 3bg5 h ASP 572 CO 0.00 0.67 -0.02 0.00 -0.00 0.00 0.00 179.24 179.89 3bg5 h ALA 573 N 1.34 0.14 0.00 -0.78 0.00 -1.59 -1.09 119.26 117.29 3bg5 h ALA 573 Ca 0.01 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3bg5 h ALA 573 Cb 0.86 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3bg5 h ALA 573 CO 0.07 -0.46 -0.66 1.12 0.00 0.00 0.00 179.25 179.32 3bg5 h HIS 574 N 0.03 0.00 -0.97 0.00 2.07 -1.72 -1.77 115.15 112.79 3bg5 h HIS 574 Ca 0.09 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.69 3bg5 h HIS 574 Cb 0.12 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.03 3bg5 h HIS 574 CO -0.19 0.55 0.61 0.37 -3.07 0.00 0.00 177.93 176.20 3bg5 h GLN 575 N 0.00 1.03 -0.00 5.12 4.15 -1.01 0.33 115.11 124.73 3bg5 h GLN 575 Ca -0.03 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 3bg5 h GLN 575 Cb 1.44 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 28.91 3bg5 h GLN 575 CO 0.07 0.68 -0.56 0.77 -1.93 0.00 0.00 178.83 177.86 3bg5 h SER 576 N 1.06 0.49 0.18 -0.69 0.02 -1.10 -3.35 113.55 110.16 3bg5 h SER 576 Ca 0.44 -0.76 -0.30 0.00 -0.84 0.00 0.00 61.79 60.33 3bg5 h SER 576 Cb 0.27 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 3bg5 h SER 576 CO -0.20 1.19 -2.10 0.18 -1.14 0.00 0.00 176.83 174.75 3bg5 n LEU 577 N -4.25 0.29 -2.37 5.07 4.77 -0.68 -4.56 117.00 115.27 3bg5 n LEU 577 Ca -0.10 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 3bg5 n LEU 577 Cb 0.65 0.34 0.05 0.00 -2.33 0.00 0.00 43.42 42.13 3bg5 n LEU 577 CO 0.46 0.40 0.06 0.18 -1.33 0.00 0.00 177.39 177.16 3bg5 n LEU 578 N -2.79 2.29 -2.90 2.23 4.77 0.11 -2.88 117.00 117.83 3bg5 n LEU 578 Ca -0.25 -3.31 -0.15 0.00 -0.03 0.00 0.00 56.01 52.27 3bg5 n LEU 578 Cb 1.06 0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 42.32 3bg5 n LEU 578 CO 0.44 1.22 -0.08 0.00 -1.33 0.00 0.00 177.39 177.64 3bg5 n ALA 579 N -0.50 -0.96 -1.76 -1.18 0.00 -1.05 -1.33 120.51 113.73 3bg5 n ALA 579 Ca 0.16 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 3bg5 n ALA 579 Cb 0.88 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 3bg5 n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3bg5 n THR 580 N -3.40 -0.26 1.24 0.00 -1.04 -0.60 -4.89 114.28 105.33 3bg5 n THR 580 Ca -0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.09 3bg5 n THR 580 Cb 0.55 -1.99 0.41 0.00 -1.82 0.00 0.00 70.33 67.48 3bg5 n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3bg5 n ARG 581 N -2.55 0.70 -1.68 -2.82 5.12 -0.44 -4.80 116.66 110.19 3bg5 n ARG 581 Ca -0.18 -0.38 -0.43 0.00 -1.93 0.00 0.00 57.85 54.93 3bg5 n ARG 581 Cb 0.59 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.37 3bg5 n ARG 581 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3bg5 n VAL 582 N -0.82 0.48 -2.15 1.55 0.31 -1.26 -4.93 118.33 111.50 3bg5 n VAL 582 Ca 0.12 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 64.04 3bg5 n VAL 582 Cb 0.33 -2.13 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 3bg5 n VAL 582 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3bg5 s ARG 583 N 3.22 3.70 0.18 5.55 0.52 -1.26 -4.98 118.95 125.88 3bg5 s ARG 583 Ca 0.85 0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 56.83 3bg5 s ARG 583 Cb -0.50 -2.10 0.14 0.00 0.52 0.00 0.00 34.95 33.02 3bg5 s ARG 583 CO 0.40 -0.48 1.67 1.15 0.02 0.00 0.00 175.30 178.06 3bg5 h THR 584 N 0.40 0.60 -0.84 0.02 2.02 -1.92 -2.97 112.91 110.23 3bg5 h THR 584 Ca -0.46 -0.02 0.16 0.00 0.77 0.00 0.00 66.41 66.87 3bg5 h THR 584 Cb 1.19 0.54 -0.16 0.00 -1.74 0.00 0.00 68.15 67.99 3bg5 h THR 584 CO 0.61 0.01 -0.23 0.50 0.37 0.00 0.00 175.52 176.77 3bg5 h LYS 585 N 0.05 -0.01 0.00 6.66 1.63 -1.88 0.68 116.57 123.69 3bg5 h LYS 585 Ca 0.22 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 3bg5 h LYS 585 Cb 0.33 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 3bg5 h LYS 585 CO -0.42 -0.01 -0.31 -0.44 -3.45 0.00 0.00 179.45 174.82 3bg5 h ASP 586 N -0.01 0.00 0.04 4.20 3.45 -1.90 -0.34 116.42 121.86 3bg5 h ASP 586 Ca 0.39 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.67 3bg5 h ASP 586 Cb 0.61 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.40 3bg5 h ASP 586 CO -0.86 0.31 -0.70 0.24 -1.57 0.00 0.00 179.24 176.65 3bg5 h MET 587 N 0.00 0.41 -0.21 3.56 2.86 0.25 -3.28 114.93 118.51 3bg5 h MET 587 Ca -0.00 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.14 3bg5 h MET 587 Cb 0.65 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3bg5 h MET 587 CO 0.04 1.16 0.10 0.82 1.06 0.00 0.00 176.91 180.09 3bg5 h ILE 588 N -0.13 1.13 -1.01 -1.22 1.08 -0.23 -1.62 117.51 115.51 3bg5 h ILE 588 Ca -0.10 -0.38 0.24 0.00 -0.39 0.00 0.00 64.86 64.23 3bg5 h ILE 588 Cb 1.44 1.00 -0.12 0.00 -3.07 0.00 0.00 36.82 36.07 3bg5 h ILE 588 CO 0.14 0.13 0.61 0.78 -0.69 0.00 0.00 178.15 179.12 3bg5 h ASN 589 N 0.21 0.64 0.00 1.72 -0.26 -1.17 -1.60 115.58 115.13 3bg5 h ASN 589 Ca 0.07 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3bg5 h ASN 589 Cb 0.11 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3bg5 h ASN 589 CO -0.01 0.12 -0.42 0.00 -1.06 0.00 0.00 177.43 176.06 3bg5 n ILE 590 N -4.82 0.00 -0.17 2.81 0.13 -1.11 -4.63 119.36 111.58 3bg5 n ILE 590 Ca 0.26 -0.27 -0.02 0.00 -1.10 0.00 0.00 62.75 61.62 3bg5 n ILE 590 Cb 0.76 1.20 0.07 0.00 -0.84 0.00 0.00 39.64 40.83 3bg5 n ILE 590 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3bg5 h ALA 591 N 3.94 0.61 -0.03 1.51 0.00 -0.28 -0.32 119.26 124.70 3bg5 h ALA 591 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3bg5 h ALA 591 Cb 0.76 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3bg5 h ALA 591 CO 0.00 -0.27 -0.44 0.66 0.00 0.00 0.00 179.25 179.19 3bg5 h SER 592 N 0.29 0.06 0.03 0.00 4.64 -1.80 -0.04 113.55 116.72 3bg5 h SER 592 Ca 0.26 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.34 3bg5 h SER 592 Cb 0.33 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3bg5 h SER 592 CO -0.31 0.50 -0.80 0.50 -0.87 0.00 0.00 176.83 175.86 3bg5 h LYS 593 N 0.05 0.64 -0.77 4.77 1.63 -1.68 -3.10 116.57 118.11 3bg5 h LYS 593 Ca 0.00 -0.54 0.03 0.00 -0.85 0.00 0.00 60.65 59.29 3bg5 h LYS 593 Cb 0.81 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 32.51 3bg5 h LYS 593 CO 0.06 1.16 0.48 1.15 -3.45 0.00 0.00 179.45 178.86 3bg5 h THR 594 N 0.43 1.10 -0.79 1.00 2.02 -0.43 0.13 112.91 116.36 3bg5 h THR 594 Ca -0.05 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 66.87 3bg5 h THR 594 Cb 1.41 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3bg5 h THR 594 CO 0.15 0.17 0.52 0.00 0.37 0.00 0.00 175.52 176.73 3bg5 h ALA 595 N 1.33 1.64 0.03 6.16 0.00 -1.00 -0.27 119.26 127.15 3bg5 h ALA 595 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3bg5 h ALA 595 Cb 0.03 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3bg5 h ALA 595 CO -0.12 0.23 -0.25 0.22 0.00 0.00 0.00 179.25 179.34 3bg5 h ASP 596 N 0.85 0.17 -0.71 0.00 3.58 -1.22 -2.96 116.42 116.12 3bg5 h ASP 596 Ca 0.34 -0.90 0.01 0.00 0.42 0.00 0.00 57.03 56.91 3bg5 h ASP 596 Cb 0.26 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 3bg5 h ASP 596 CO -0.12 1.05 0.47 0.58 -2.88 0.00 0.00 179.24 178.34 3bg5 h VAL 597 N -0.69 1.18 -0.64 2.25 2.07 -0.55 -2.94 116.25 116.93 3bg5 h VAL 597 Ca -0.04 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 3bg5 h VAL 597 Cb 1.11 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 3bg5 h VAL 597 CO 0.05 0.18 0.20 0.49 0.02 0.00 0.00 177.57 178.50 3bg5 n PHE 598 N -4.59 2.17 -0.06 1.57 3.01 -0.13 -4.18 117.46 115.24 3bg5 n PHE 598 Ca 0.06 -1.00 0.25 0.00 1.01 0.00 0.00 57.45 57.78 3bg5 n PHE 598 Cb 0.02 -0.61 0.71 0.00 -0.01 0.00 0.00 39.48 39.59 3bg5 n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3bg5 h LYS 599 N 2.69 0.00 -0.16 -1.08 2.10 -1.33 0.17 116.57 118.96 3bg5 h LYS 599 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 3bg5 h LYS 599 Cb 2.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 3bg5 h LYS 599 CO 0.63 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.83 3bg5 n ASP 600 N -3.85 2.78 -4.78 7.07 8.00 -1.26 -4.57 116.55 119.94 3bg5 n ASP 600 Ca 0.14 -2.47 -0.35 0.00 0.71 0.00 0.00 54.79 52.82 3bg5 n ASP 600 Cb 0.89 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.12 41.70 3bg5 n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bg5 s GLY 601 N -1.62 2.63 0.04 0.44 0.00 0.60 -4.74 107.32 104.67 3bg5 s GLY 601 Ca 0.23 0.80 -0.25 0.00 0.00 0.00 0.00 44.72 45.50 3bg5 s GLY 601 CO 0.07 1.17 1.47 -2.75 0.00 0.00 0.00 173.10 173.06 3bg5 h PHE 602 N 1.38 -0.17 -3.48 1.90 3.57 -1.35 -3.43 116.94 115.37 3bg5 h PHE 602 Ca -0.50 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 60.96 3bg5 h PHE 602 Cb 1.25 0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.95 3bg5 h PHE 602 CO 0.52 0.08 -0.05 -1.54 -2.23 0.00 0.00 178.31 175.09 3bg5 s SER 603 N -5.24 -0.16 -0.21 0.41 1.04 -1.23 -3.79 113.70 104.52 3bg5 s SER 603 Ca -0.15 -0.70 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 3bg5 s SER 603 Cb 0.04 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.74 3bg5 s SER 603 CO 0.63 -1.08 -0.11 -0.76 0.98 0.00 0.00 173.24 172.90 3bg5 s LEU 604 N -2.94 2.66 -0.31 2.42 1.43 0.69 -2.43 118.68 120.22 3bg5 s LEU 604 Ca 0.15 -0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 3bg5 s LEU 604 Cb -0.01 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3bg5 s LEU 604 CO 0.02 -0.04 0.88 -0.70 0.23 0.00 0.00 176.35 176.74 3bg5 s GLU 605 N 1.36 4.00 0.00 1.70 2.12 0.12 -0.71 118.70 127.30 3bg5 s GLU 605 Ca 0.04 0.75 0.01 0.00 0.36 0.00 0.00 54.97 56.13 3bg5 s GLU 605 Cb -0.14 -3.73 0.01 0.00 0.26 0.00 0.00 34.13 30.53 3bg5 s GLU 605 CO -0.07 -0.74 0.80 0.00 -0.54 0.00 0.00 175.26 174.71 3bg5 n MET 606 N 6.40 0.00 -3.83 4.30 0.00 -0.91 -3.18 117.12 119.91 3bg5 n MET 606 Ca 0.06 -0.62 -0.06 0.00 0.00 0.00 0.00 57.70 57.09 3bg5 n MET 606 Cb 0.48 -0.26 -0.01 0.00 0.00 0.00 0.00 33.22 33.43 3bg5 n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3bg5 s TRP 607 N 0.00 -0.11 0.00 3.17 -0.00 -1.25 -4.83 118.94 115.92 3bg5 s TRP 607 Ca 0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 56.10 55.77 3bg5 s TRP 607 Cb 0.01 0.71 0.00 0.00 -0.00 0.00 0.00 33.47 34.19 3bg5 s TRP 607 CO -0.00 -1.17 0.00 0.41 -0.00 0.00 0.00 176.95 176.19 3bg5 n GLY 608 N -0.49 -1.56 7.00 5.86 0.00 -1.26 -2.87 105.19 111.87 3bg5 n GLY 608 Ca -0.05 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3bg5 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 609 N 0.00 2.21 0.16 -0.02 0.00 -1.16 -2.74 105.19 103.64 3bg5 n GLY 609 Ca 0.00 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.65 3bg5 n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 n ALA 610 N 8.22 2.78 -0.17 4.61 0.00 -1.26 -4.31 120.51 130.38 3bg5 n ALA 610 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.10 3bg5 n ALA 610 Cb 0.00 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.29 3bg5 n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bg5 h THR 611 N 0.78 1.24 -0.09 0.00 1.35 -1.85 -1.00 112.91 113.33 3bg5 h THR 611 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3bg5 h THR 611 Cb 0.36 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 3bg5 h THR 611 CO 0.00 0.33 0.06 0.15 -0.25 0.00 0.00 175.52 175.80 3bg5 h PHE 612 N 0.89 0.11 0.14 4.73 3.57 -1.76 0.98 116.94 125.59 3bg5 h PHE 612 Ca 0.19 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3bg5 h PHE 612 Cb 0.32 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3bg5 h PHE 612 CO 0.02 0.07 -0.07 0.22 -2.23 0.00 0.00 178.31 176.32 3bg5 h ASP 613 N 0.12 -0.16 -0.85 0.41 -0.00 -1.83 -2.99 116.42 111.11 3bg5 h ASP 613 Ca 0.04 -0.35 -0.03 0.00 -0.00 0.00 0.00 57.03 56.69 3bg5 h ASP 613 Cb -0.01 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.33 3bg5 h ASP 613 CO -0.01 0.30 0.41 0.58 -0.00 0.00 0.00 179.24 180.52 3bg5 h VAL 614 N -0.68 1.26 0.52 2.25 2.07 -1.11 0.30 116.25 120.87 3bg5 h VAL 614 Ca -0.02 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 3bg5 h VAL 614 Cb 0.50 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3bg5 h VAL 614 CO 0.03 0.31 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 3bg5 h ALA 615 N 1.24 -0.75 -0.83 1.67 0.00 -0.89 -0.44 119.26 119.27 3bg5 h ALA 615 Ca 0.29 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3bg5 h ALA 615 Cb 0.11 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3bg5 h ALA 615 CO -0.04 -0.93 0.55 1.88 0.00 0.00 0.00 179.25 180.71 3bg5 h TYR 616 N -0.75 1.04 0.00 0.00 0.99 -1.31 0.19 116.97 117.13 3bg5 h TYR 616 Ca -0.07 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3bg5 h TYR 616 Cb 0.59 -0.35 0.00 0.00 1.00 0.00 0.00 36.73 37.97 3bg5 h TYR 616 CO -0.06 0.64 0.00 -1.71 -0.00 0.00 0.00 178.16 177.02 3bg5 n ASN 617 N -4.52 0.00 -0.03 3.88 4.05 0.10 -3.77 115.26 114.97 3bg5 n ASN 617 Ca 0.09 0.26 -0.13 0.00 0.45 0.00 0.00 54.58 55.25 3bg5 n ASN 617 Cb 0.03 -0.31 -0.11 0.00 1.23 0.00 0.00 39.78 40.63 3bg5 n ASN 617 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 3bg5 h PHE 618 N 0.00 0.03 0.00 1.20 -1.00 -1.30 -3.31 116.94 112.56 3bg5 h PHE 618 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3bg5 h PHE 618 Cb 0.00 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.55 3bg5 h PHE 618 CO 0.00 0.65 0.00 1.28 -1.61 0.00 0.00 178.31 178.63 3bg5 n LEU 619 N -4.76 0.72 -3.85 1.54 4.77 -0.68 -4.95 117.00 109.79 3bg5 n LEU 619 Ca -0.09 0.57 -0.26 0.00 -0.03 0.00 0.00 56.01 56.20 3bg5 n LEU 619 Cb 0.33 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3bg5 n LEU 619 CO 0.34 -0.18 -0.17 0.29 -1.33 0.00 0.00 177.39 176.34 3bg5 n LYS 620 N -2.18 -3.09 -3.94 3.23 4.76 0.50 -4.84 118.16 112.60 3bg5 n LYS 620 Ca 0.06 0.45 -0.10 0.00 -2.87 0.00 0.00 58.31 55.85 3bg5 n LYS 620 Cb 0.41 -4.53 -0.10 0.00 -1.84 0.00 0.00 35.03 28.97 3bg5 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3bg5 s GLU 621 N -6.34 0.42 -0.35 1.97 -1.05 -0.19 -4.59 118.70 108.56 3bg5 s GLU 621 Ca 0.11 -0.58 -0.29 0.00 -0.15 0.00 0.00 54.97 54.06 3bg5 s GLU 621 Cb -0.04 0.16 0.01 0.00 -0.44 0.00 0.00 34.13 33.83 3bg5 s GLU 621 CO 0.87 -0.09 1.17 1.21 0.95 0.00 0.00 175.26 179.38 3bg5 s ASN 622 N -1.58 6.77 0.51 0.83 3.04 -1.26 -2.87 114.94 120.39 3bg5 s ASN 622 Ca -0.13 0.98 0.18 0.00 0.04 0.00 0.00 52.86 53.93 3bg5 s ASN 622 Cb -0.07 -2.54 1.27 0.00 -1.54 0.00 0.00 41.25 38.36 3bg5 s ASN 622 CO -0.01 -1.04 2.09 1.55 -3.04 0.00 0.00 177.10 176.65 3bg5 h PRO 623 N 8.79 0.06 -0.40 0.43 0.13 -1.91 -2.01 132.00 137.10 3bg5 h PRO 623 Ca -0.23 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3bg5 h PRO 623 Cb 1.07 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3bg5 h PRO 623 CO 1.05 0.04 0.23 -1.49 -0.23 0.00 0.00 178.00 177.60 3bg5 h TRP 624 N 0.06 0.53 -0.52 1.56 4.06 -1.97 -1.50 115.95 118.16 3bg5 h TRP 624 Ca 0.10 -0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.00 3bg5 h TRP 624 Cb 0.32 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3bg5 h TRP 624 CO -0.00 0.39 0.13 0.93 -3.56 0.00 0.00 178.44 176.33 3bg5 h GLU 625 N 0.51 0.79 -0.41 0.49 5.08 -1.79 -0.05 114.58 119.21 3bg5 h GLU 625 Ca 0.14 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3bg5 h GLU 625 Cb 0.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3bg5 h GLU 625 CO -0.02 0.71 0.17 -0.09 -1.00 0.00 0.00 179.01 178.78 3bg5 h ARG 626 N 0.76 0.35 -0.21 2.33 2.43 -1.03 0.16 114.38 119.17 3bg5 h ARG 626 Ca 0.17 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3bg5 h ARG 626 Cb 0.28 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3bg5 h ARG 626 CO -0.00 0.23 0.06 1.25 -1.51 0.00 0.00 179.97 179.99 3bg5 h LEU 627 N 0.36 0.31 -0.13 3.80 5.85 -0.62 -2.21 115.31 122.66 3bg5 h LEU 627 Ca 0.18 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3bg5 h LEU 627 Cb 0.13 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3bg5 h LEU 627 CO -0.16 0.45 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.05 3bg5 h GLU 628 N 0.16 0.24 -0.12 1.25 5.08 -0.83 0.30 114.58 120.65 3bg5 h GLU 628 Ca 0.07 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3bg5 h GLU 628 Cb 0.26 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3bg5 h GLU 628 CO -0.00 0.50 -0.04 0.00 -1.00 0.00 0.00 179.01 178.47 3bg5 h ARG 629 N -0.05 -0.01 -0.41 2.33 2.47 -0.74 -1.28 114.38 116.69 3bg5 h ARG 629 Ca 0.04 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3bg5 h ARG 629 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 3bg5 h ARG 629 CO 0.01 -0.01 0.14 -0.07 0.56 0.00 0.00 179.97 180.60 3bg5 h LEU 630 N -0.01 0.53 -0.35 3.04 3.38 -1.42 -2.60 115.31 117.88 3bg5 h LEU 630 Ca 0.06 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3bg5 h LEU 630 Cb 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3bg5 h LEU 630 CO -0.13 0.50 0.15 -0.09 0.09 0.00 0.00 178.44 178.96 3bg5 h ARG 631 N 0.58 0.31 -0.39 1.13 1.12 0.18 0.93 114.38 118.24 3bg5 h ARG 631 Ca 0.14 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 3bg5 h ARG 631 Cb 0.16 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 3bg5 h ARG 631 CO -0.01 0.21 0.20 0.87 -3.11 0.00 0.00 179.97 178.13 3bg5 h LYS 632 N 0.32 0.55 -0.14 0.20 1.57 -1.20 -3.21 116.57 114.66 3bg5 h LYS 632 Ca 0.15 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3bg5 h LYS 632 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3bg5 h LYS 632 CO -0.13 0.46 -0.40 0.00 -0.57 0.00 0.00 179.45 178.81 3bg5 h ALA 633 N 1.06 1.07 -2.93 3.86 0.00 -1.04 -3.35 119.26 117.92 3bg5 h ALA 633 Ca 0.13 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 54.02 3bg5 h ALA 633 Cb 0.08 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.37 3bg5 h ALA 633 CO -0.02 0.60 -0.70 0.42 0.00 0.00 0.00 179.25 179.55 3bg5 s ILE 634 N -4.18 2.04 -2.05 0.00 1.01 0.27 -4.57 121.20 113.73 3bg5 s ILE 634 Ca -0.05 -3.55 0.16 0.00 0.00 0.00 0.00 60.65 57.21 3bg5 s ILE 634 Cb 0.13 -2.37 0.42 0.00 0.01 0.00 0.00 42.46 40.66 3bg5 s ILE 634 CO 0.78 -1.02 1.37 -0.81 0.00 0.00 0.00 174.94 175.26 3bg5 n PRO 635 N 2.53 2.08 -0.01 2.79 -0.04 -1.22 -4.29 135.00 136.84 3bg5 n PRO 635 Ca 0.19 -1.68 0.04 0.00 -0.04 0.00 0.00 63.50 62.00 3bg5 n PRO 635 Cb 0.38 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3bg5 n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3bg5 n ASN 636 N 0.87 2.57 -4.50 3.54 6.94 -1.26 -4.66 115.26 118.76 3bg5 n ASN 636 Ca 0.16 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.42 3bg5 n ASN 636 Cb 0.40 1.35 -0.11 0.00 -2.36 0.00 0.00 39.78 39.06 3bg5 n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3bg5 s VAL 637 N -2.65 2.91 0.44 3.53 1.01 -1.26 -2.34 120.40 122.04 3bg5 s VAL 637 Ca -0.04 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.28 3bg5 s VAL 637 Cb 0.06 -2.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.04 3bg5 s VAL 637 CO 0.44 0.14 1.31 -0.76 0.00 0.00 0.00 175.10 176.23 3bg5 s LEU 638 N -2.02 4.11 -0.25 3.92 1.43 -1.25 -4.58 118.68 120.03 3bg5 s LEU 638 Ca 0.18 2.67 -0.07 0.00 -1.03 0.00 0.00 54.13 55.88 3bg5 s LEU 638 Cb -0.11 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.07 3bg5 s LEU 638 CO 0.10 -1.04 0.06 -0.36 0.23 0.00 0.00 176.35 175.34 3bg5 s PHE 639 N -1.30 3.08 -0.12 0.29 0.40 -1.26 -0.22 117.98 118.85 3bg5 s PHE 639 Ca 0.61 -0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 3bg5 s PHE 639 Cb -0.38 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 3bg5 s PHE 639 CO 0.48 -0.40 -0.07 -1.14 0.70 0.00 0.00 175.22 174.79 3bg5 s GLN 640 N 1.59 3.32 0.20 0.44 0.74 0.11 -0.32 119.66 125.75 3bg5 s GLN 640 Ca 0.06 -0.57 0.10 0.00 0.05 0.00 0.00 55.36 55.00 3bg5 s GLN 640 Cb -0.15 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.17 3bg5 s GLN 640 CO 0.03 0.36 -0.21 0.00 -0.55 0.00 0.00 175.29 174.93 3bg5 s MET 641 N 0.01 1.45 -0.22 1.67 0.23 -0.53 -2.13 119.30 119.78 3bg5 s MET 641 Ca -0.01 -1.54 -0.13 0.00 -1.03 0.00 0.00 55.69 52.99 3bg5 s MET 641 Cb -0.14 -1.60 -0.05 0.00 -1.53 0.00 0.00 34.83 31.52 3bg5 s MET 641 CO 0.03 0.33 0.25 -1.17 -2.03 0.00 0.00 175.02 172.43 3bg5 s LEU 642 N -2.88 4.13 -0.17 0.18 2.96 -1.14 -0.93 118.68 120.83 3bg5 s LEU 642 Ca 0.21 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 3bg5 s LEU 642 Cb -0.06 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.39 3bg5 s LEU 642 CO 0.10 0.01 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.73 3bg5 s LEU 643 N 1.14 2.03 0.10 -0.68 2.96 0.62 -3.01 118.68 121.84 3bg5 s LEU 643 Ca 0.12 -0.62 -0.31 0.00 -0.22 0.00 0.00 54.13 53.11 3bg5 s LEU 643 Cb -0.14 -1.40 -0.08 0.00 0.50 0.00 0.00 46.19 45.07 3bg5 s LEU 643 CO 0.06 -0.02 1.42 -0.60 -1.32 0.00 0.00 176.35 175.89 3bg5 s ARG 644 N 1.34 4.30 0.11 1.98 3.52 0.61 -2.60 118.95 128.20 3bg5 s ARG 644 Ca 0.05 2.09 -0.24 0.00 -0.13 0.00 0.00 55.73 57.50 3bg5 s ARG 644 Cb -0.13 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 29.86 3bg5 s ARG 644 CO -0.12 -0.49 1.68 0.00 -0.81 0.00 0.00 175.30 175.56 3bg5 h ALA 645 N 7.08 -0.16 -0.27 6.12 0.00 -1.65 0.25 119.26 130.64 3bg5 h ALA 645 Ca -0.41 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 3bg5 h ALA 645 Cb 1.20 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3bg5 h ALA 645 CO 0.88 -0.62 -0.56 0.66 0.00 0.00 0.00 179.25 179.60 3bg5 h SER 646 N -0.22 0.94 0.00 0.00 4.64 -1.86 -3.38 113.55 113.67 3bg5 h SER 646 Ca 0.04 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3bg5 h SER 646 Cb 0.27 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bg5 h SER 646 CO -0.12 1.30 0.00 -0.46 -0.87 0.00 0.00 176.83 176.68 3bg5 n ASN 647 N -4.00 0.79 0.00 4.97 0.23 -1.22 -4.30 115.26 111.73 3bg5 n ASN 647 Ca -0.04 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 3bg5 n ASN 647 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 3bg5 n ASN 647 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bg5 n ALA 648 N -0.00 0.00 -1.57 -2.53 0.00 0.89 -0.81 120.51 116.49 3bg5 n ALA 648 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bg5 n ALA 648 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3bg5 n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3bg5 n VAL 649 N 0.00 0.00 -0.44 0.00 3.14 -1.26 -0.28 118.33 119.48 3bg5 n VAL 649 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3bg5 n VAL 649 Cb 0.00 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 33.57 3bg5 n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3bg5 n GLY 650 N 0.00 -1.09 0.00 7.55 0.00 0.01 -4.75 105.19 106.91 3bg5 n GLY 650 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3bg5 n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3bg5 n TYR 651 N -1.00 0.00 -3.14 1.61 0.18 -1.26 -4.96 117.16 108.58 3bg5 n TYR 651 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3bg5 n TYR 651 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3bg5 n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3bg5 n LYS 652 N -1.09 3.24 -3.60 -3.48 2.85 -1.26 -5.14 118.16 109.68 3bg5 n LYS 652 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 3bg5 n LYS 652 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 3bg5 n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3bg5 s ASN 653 N 0.72 6.68 0.03 -5.58 0.01 -1.26 -4.65 114.94 110.88 3bg5 s ASN 653 Ca 0.00 0.81 0.04 0.00 -0.71 0.00 0.00 52.86 53.00 3bg5 s ASN 653 Cb 0.00 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 3bg5 s ASN 653 CO 0.00 0.29 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.46 3bg5 s TYR 654 N -1.17 1.01 0.51 2.20 1.51 -1.26 -5.09 117.35 115.05 3bg5 s TYR 654 Ca 0.25 -0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 3bg5 s TYR 654 Cb -0.15 -0.61 -0.06 0.00 -0.11 0.00 0.00 41.96 41.03 3bg5 s TYR 654 CO 0.13 0.00 1.27 -2.14 -1.11 0.00 0.00 175.55 173.71 3bg5 s PRO 655 N -0.95 3.41 0.26 -1.71 0.02 -1.26 -4.66 135.00 130.12 3bg5 s PRO 655 Ca 0.00 2.03 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 3bg5 s PRO 655 Cb -0.07 -2.32 0.51 0.00 0.02 0.00 0.00 34.50 32.64 3bg5 s PRO 655 CO 0.01 -0.91 1.41 -0.25 -0.33 0.00 0.00 177.00 176.93 3bg5 n ASP 656 N -0.79 -0.25 0.30 2.53 9.92 -1.26 -0.41 116.55 126.58 3bg5 n ASP 656 Ca 0.09 1.55 0.15 0.00 -0.53 0.00 0.00 54.79 56.05 3bg5 n ASP 656 Cb 0.46 -0.50 0.91 0.00 -0.64 0.00 0.00 41.12 41.36 3bg5 n ASP 656 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3bg5 h ASN 657 N 0.00 0.00 -0.27 -2.24 -1.07 -1.96 -1.39 115.58 108.66 3bg5 h ASN 657 Ca 0.47 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.76 3bg5 h ASN 657 Cb 0.82 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.07 3bg5 h ASN 657 CO -0.90 0.00 -0.18 0.58 0.07 0.00 0.00 177.43 177.00 3bg5 h VAL 658 N 0.00 1.30 -0.19 6.14 2.07 -1.09 -1.47 116.25 123.02 3bg5 h VAL 658 Ca -0.00 -1.30 -0.11 0.00 0.82 0.00 0.00 66.70 66.11 3bg5 h VAL 658 Cb 0.01 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3bg5 h VAL 658 CO 0.00 0.41 -0.36 0.40 0.02 0.00 0.00 177.57 178.04 3bg5 h ILE 659 N 0.32 1.29 -0.11 4.57 2.04 -1.35 -2.29 117.51 121.97 3bg5 h ILE 659 Ca 0.05 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.43 3bg5 h ILE 659 Cb 0.71 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3bg5 h ILE 659 CO 0.05 0.45 -0.02 -0.74 0.00 0.00 0.00 178.15 177.89 3bg5 h HIS 660 N 0.35 0.24 -0.53 1.37 2.76 -1.23 -2.46 115.15 115.64 3bg5 h HIS 660 Ca 0.04 -0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.04 3bg5 h HIS 660 Cb 0.80 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 3bg5 h HIS 660 CO 0.02 0.51 -0.14 -0.22 -1.30 0.00 0.00 177.93 176.81 3bg5 h LYS 661 N -0.10 1.04 -0.10 5.26 3.64 -1.25 -0.68 116.57 124.38 3bg5 h LYS 661 Ca 0.03 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 3bg5 h LYS 661 Cb 0.43 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3bg5 h LYS 661 CO 0.01 1.09 -0.02 0.35 -2.27 0.00 0.00 179.45 178.61 3bg5 h PHE 662 N 0.91 -0.04 -0.55 1.91 3.57 -1.42 -0.09 116.94 121.23 3bg5 h PHE 662 Ca 0.13 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3bg5 h PHE 662 Cb 0.71 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3bg5 h PHE 662 CO 0.05 -0.04 0.34 0.28 -2.23 0.00 0.00 178.31 176.72 3bg5 h VAL 663 N 0.01 1.09 -0.70 1.41 2.07 -1.27 0.85 116.25 119.71 3bg5 h VAL 663 Ca 0.05 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3bg5 h VAL 663 Cb 0.07 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 3bg5 h VAL 663 CO -0.10 0.13 0.43 1.56 0.02 0.00 0.00 177.57 179.61 3bg5 h GLN 664 N 0.69 0.81 0.06 1.57 7.50 -0.78 0.17 115.11 125.13 3bg5 h GLN 664 Ca 0.21 -0.05 -0.23 0.00 0.50 0.00 0.00 58.65 59.08 3bg5 h GLN 664 Cb -0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.32 3bg5 h GLN 664 CO -0.08 0.54 -1.07 0.93 -1.50 0.00 0.00 178.83 177.65 3bg5 h GLU 665 N 0.84 0.16 -0.10 1.46 4.39 -0.73 -2.58 114.58 118.03 3bg5 h GLU 665 Ca 0.29 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 3bg5 h GLU 665 Cb 0.05 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3bg5 h GLU 665 CO -0.12 1.08 -0.28 0.77 -1.16 0.00 0.00 179.01 179.30 3bg5 h SER 666 N 0.06 0.18 -0.20 1.42 0.02 -0.65 -1.55 113.55 112.83 3bg5 h SER 666 Ca -0.07 -0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.65 3bg5 h SER 666 Cb 1.79 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.29 3bg5 h SER 666 CO 0.16 0.46 -0.57 0.00 -1.14 0.00 0.00 176.83 175.75 3bg5 h ALA 667 N 1.55 0.34 -0.31 3.77 0.00 -0.87 -1.02 119.26 122.72 3bg5 h ALA 667 Ca 0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3bg5 h ALA 667 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3bg5 h ALA 667 CO 0.04 0.56 0.17 0.87 0.00 0.00 0.00 179.25 180.89 3bg5 h LYS 668 N 0.45 0.43 0.00 0.00 1.57 -1.28 -2.98 116.57 114.77 3bg5 h LYS 668 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3bg5 h LYS 668 Cb 1.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3bg5 h LYS 668 CO 0.12 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 3bg5 h ALA 669 N 1.03 1.00 0.00 3.86 0.00 -1.31 -3.46 119.26 120.39 3bg5 h ALA 669 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bg5 h ALA 669 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3bg5 h ALA 669 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3bg5 n GLY 670 N 0.08 -0.49 3.73 0.00 0.00 -1.05 -4.35 105.19 103.11 3bg5 n GLY 670 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3bg5 n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 671 N -0.50 4.03 -0.05 -0.61 -1.09 -0.41 -4.50 121.20 118.07 3bg5 s ILE 671 Ca 0.00 1.67 -0.02 0.00 -2.23 0.00 0.00 60.65 60.07 3bg5 s ILE 671 Cb 0.00 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 3bg5 s ILE 671 CO 0.00 0.25 -0.06 0.47 -1.23 0.00 0.00 174.94 174.36 3bg5 n ASP 672 N 2.78 0.57 -4.69 3.58 10.43 0.56 -4.47 116.55 125.31 3bg5 n ASP 672 Ca 0.04 0.06 -0.36 0.00 2.57 0.00 0.00 54.79 57.10 3bg5 n ASP 672 Cb 0.47 -0.15 -0.09 0.00 1.84 0.00 0.00 41.12 43.19 3bg5 n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3bg5 s VAL 673 N -2.09 5.37 -0.35 2.53 1.01 -0.38 -0.15 120.40 126.34 3bg5 s VAL 673 Ca -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3bg5 s VAL 673 Cb 0.03 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.99 3bg5 s VAL 673 CO 0.09 0.38 0.09 -0.36 0.00 0.00 0.00 175.10 175.30 3bg5 s PHE 674 N 0.80 3.48 -0.73 5.22 0.08 0.28 -1.45 117.98 125.66 3bg5 s PHE 674 Ca 0.08 -2.29 -0.26 0.00 0.12 0.00 0.00 56.93 54.58 3bg5 s PHE 674 Cb -0.13 -2.69 0.04 0.00 -0.57 0.00 0.00 43.02 39.68 3bg5 s PHE 674 CO 0.02 -0.90 1.22 0.50 -0.10 0.00 0.00 175.22 175.96 3bg5 s ARG 675 N 1.15 3.18 -0.27 0.44 3.52 -0.11 -0.52 118.95 126.34 3bg5 s ARG 675 Ca 0.03 -0.37 -0.15 0.00 -0.13 0.00 0.00 55.73 55.11 3bg5 s ARG 675 Cb -0.21 -4.20 -0.04 0.00 -1.56 0.00 0.00 34.95 28.94 3bg5 s ARG 675 CO -0.04 -2.09 0.36 0.42 -0.81 0.00 0.00 175.30 173.15 3bg5 s ILE 676 N 5.40 5.18 0.11 4.11 1.01 -0.12 -0.27 121.20 136.62 3bg5 s ILE 676 Ca 0.33 0.55 0.06 0.00 0.00 0.00 0.00 60.65 61.59 3bg5 s ILE 676 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3bg5 s ILE 676 CO 0.14 0.17 -0.14 0.72 0.00 0.00 0.00 174.94 175.82 3bg5 s PHE 677 N 2.00 1.37 -0.05 3.97 -0.71 -1.07 -1.98 117.98 121.51 3bg5 s PHE 677 Ca 0.15 -0.52 0.04 0.00 -1.04 0.00 0.00 56.93 55.56 3bg5 s PHE 677 Cb -0.16 -0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 40.90 3bg5 s PHE 677 CO 0.10 0.12 -0.18 0.34 -1.34 0.00 0.00 175.22 174.26 3bg5 s ASP 678 N -2.23 3.70 0.00 1.98 -1.08 -1.26 -1.79 116.67 115.99 3bg5 s ASP 678 Ca 0.06 -0.31 0.17 0.00 -0.52 0.00 0.00 52.55 51.95 3bg5 s ASP 678 Cb -0.07 -0.84 0.80 0.00 -1.46 0.00 0.00 42.92 41.35 3bg5 s ASP 678 CO 0.03 0.31 1.53 -1.54 0.52 0.00 0.00 175.17 176.01 3bg5 n SER 679 N 2.57 0.00 -0.05 -0.34 3.41 -1.26 -1.46 113.62 116.49 3bg5 n SER 679 Ca -0.17 0.26 0.02 0.00 -0.26 0.00 0.00 58.87 58.73 3bg5 n SER 679 Cb 0.52 -0.39 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3bg5 n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bg5 n LEU 680 N -1.39 1.62 -2.22 1.04 4.77 -1.26 -4.34 117.00 115.23 3bg5 n LEU 680 Ca 0.06 -1.88 -0.21 0.00 -0.03 0.00 0.00 56.01 53.96 3bg5 n LEU 680 Cb 0.17 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3bg5 n LEU 680 CO 0.14 0.45 -0.25 0.59 -1.33 0.00 0.00 177.39 176.99 3bg5 n ASN 681 N -0.61 -5.85 -4.46 -1.43 3.02 -0.53 -4.41 115.26 100.98 3bg5 n ASN 681 Ca 0.04 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 3bg5 n ASN 681 Cb 0.42 -4.94 -0.04 0.00 -0.61 0.00 0.00 39.78 34.61 3bg5 n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3bg5 s TRP 682 N -2.99 2.65 0.36 3.10 -0.00 -1.26 -4.91 118.94 115.90 3bg5 s TRP 682 Ca 0.00 -0.53 0.11 0.00 -0.00 0.00 0.00 56.10 55.68 3bg5 s TRP 682 Cb 0.00 -4.32 0.89 0.00 -0.00 0.00 0.00 33.47 30.03 3bg5 s TRP 682 CO 0.00 -1.68 1.84 0.28 -0.00 0.00 0.00 176.95 177.39 3bg5 h VAL 683 N 5.98 0.75 -0.50 5.86 2.07 -1.97 -0.74 116.25 127.70 3bg5 h VAL 683 Ca -0.28 -0.21 0.14 0.00 0.82 0.00 0.00 66.70 67.18 3bg5 h VAL 683 Cb 1.07 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3bg5 h VAL 683 CO 1.19 0.11 0.40 -0.78 0.02 0.00 0.00 177.57 178.52 3bg5 h ASP 684 N 0.62 0.00 1.77 0.57 3.58 -2.02 -1.15 116.42 119.79 3bg5 h ASP 684 Ca 0.49 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.91 3bg5 h ASP 684 Cb 0.92 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 3bg5 h ASP 684 CO -0.24 0.00 -0.14 1.56 -2.88 0.00 0.00 179.24 177.55 3bg5 h GLN 685 N 0.00 0.00 -0.70 0.28 4.20 -1.54 -3.30 115.11 114.05 3bg5 h GLN 685 Ca 0.24 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.84 3bg5 h GLN 685 Cb 1.04 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.75 3bg5 h GLN 685 CO -0.00 0.14 0.14 0.00 -0.67 0.00 0.00 178.83 178.43 3bg5 n MET 686 N -3.14 4.10 -0.02 1.46 0.00 -0.43 -4.40 117.12 114.69 3bg5 n MET 686 Ca 0.03 -2.91 -0.21 0.00 0.00 0.00 0.00 57.70 54.60 3bg5 n MET 686 Cb 0.57 -2.19 -0.13 0.00 0.00 0.00 0.00 33.22 31.46 3bg5 n MET 686 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3bg5 h LYS 687 N 3.11 0.20 -0.73 3.17 1.57 -1.65 -3.07 116.57 119.18 3bg5 h LYS 687 Ca 0.13 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3bg5 h LYS 687 Cb 2.08 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 34.48 3bg5 h LYS 687 CO 0.59 1.16 0.44 0.28 -0.57 0.00 0.00 179.45 181.35 3bg5 h VAL 688 N -0.35 1.21 0.21 0.50 2.07 -1.84 -0.31 116.25 117.73 3bg5 h VAL 688 Ca -0.35 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3bg5 h VAL 688 Cb 1.74 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3bg5 h VAL 688 CO 0.01 0.21 -0.10 0.00 0.02 0.00 0.00 177.57 177.71 3bg5 h ALA 689 N 1.23 -0.29 -0.74 1.67 0.00 -1.83 -2.24 119.26 117.07 3bg5 h ALA 689 Ca 0.26 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3bg5 h ALA 689 Cb -0.04 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 3bg5 h ALA 689 CO -0.05 -0.54 0.16 -0.97 0.00 0.00 0.00 179.25 177.85 3bg5 h ASN 690 N -0.52 -0.03 -0.22 0.00 -1.24 -1.39 0.15 115.58 112.32 3bg5 h ASN 690 Ca -0.03 0.15 -0.19 0.00 0.71 0.00 0.00 56.30 56.94 3bg5 h ASN 690 Cb 0.39 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.66 3bg5 h ASN 690 CO 0.05 -0.05 -0.62 -0.33 -1.29 0.00 0.00 177.43 175.18 3bg5 h GLU 691 N 0.25 0.81 -0.88 6.67 5.08 -1.09 -0.62 114.58 124.80 3bg5 h GLU 691 Ca 0.41 -0.58 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3bg5 h GLU 691 Cb 0.71 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 3bg5 h GLU 691 CO -0.53 1.20 0.57 0.00 -1.00 0.00 0.00 179.01 179.26 3bg5 h ALA 692 N 0.61 1.52 -0.18 3.43 0.00 -0.63 -1.63 119.26 122.38 3bg5 h ALA 692 Ca -0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3bg5 h ALA 692 Cb 1.24 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3bg5 h ALA 692 CO 0.13 0.36 -0.61 0.28 0.00 0.00 0.00 179.25 179.41 3bg5 h VAL 693 N 1.02 1.30 0.22 0.00 2.07 -0.57 -2.30 116.25 117.99 3bg5 h VAL 693 Ca 0.37 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 66.07 3bg5 h VAL 693 Cb 0.16 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3bg5 h VAL 693 CO -0.13 0.58 -0.39 1.56 0.02 0.00 0.00 177.57 179.21 3bg5 h GLN 694 N 0.45 -0.66 -0.94 1.57 1.08 -0.84 -2.75 115.11 113.02 3bg5 h GLN 694 Ca -0.03 0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.40 3bg5 h GLN 694 Cb 1.24 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 28.74 3bg5 h GLN 694 CO 0.13 -0.44 0.60 1.49 -0.95 0.00 0.00 178.83 179.66 3bg5 h GLU 695 N -0.69 0.60 0.00 1.46 4.81 -1.32 0.20 114.58 119.64 3bg5 h GLU 695 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3bg5 h GLU 695 Cb 0.67 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3bg5 h GLU 695 CO -0.17 0.39 0.00 0.00 -0.73 0.00 0.00 179.01 178.51 3bg5 n ALA 696 N -2.43 1.99 -1.66 2.92 0.00 -0.87 -4.88 120.51 115.58 3bg5 n ALA 696 Ca 0.20 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 3bg5 n ALA 696 Cb 0.59 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 3bg5 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 697 N 0.27 0.96 3.75 0.00 0.00 0.71 -5.02 105.19 105.86 3bg5 n GLY 697 Ca 0.09 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 3bg5 n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bg5 s LYS 698 N -3.63 2.30 0.11 1.61 -0.14 -1.11 -4.53 119.74 114.35 3bg5 s LYS 698 Ca 0.00 -1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 52.58 3bg5 s LYS 698 Cb 0.00 -2.08 -0.06 0.00 -1.68 0.00 0.00 37.83 34.01 3bg5 s LYS 698 CO 0.00 -0.07 1.14 0.42 -0.76 0.00 0.00 175.35 176.08 3bg5 s ILE 699 N -2.54 4.02 -0.30 2.17 1.01 0.79 -4.48 121.20 121.87 3bg5 s ILE 699 Ca 0.41 1.58 -0.04 0.00 0.00 0.00 0.00 60.65 62.59 3bg5 s ILE 699 Cb 0.01 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.51 3bg5 s ILE 699 CO 0.23 0.19 0.04 -0.55 0.00 0.00 0.00 174.94 174.86 3bg5 s SER 700 N 0.50 4.98 -0.32 3.58 0.15 -1.26 -0.56 113.70 120.77 3bg5 s SER 700 Ca 0.54 -1.02 -0.19 0.00 0.70 0.00 0.00 55.95 55.97 3bg5 s SER 700 Cb -0.29 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 3bg5 s SER 700 CO 0.32 -0.24 0.59 -1.61 1.20 0.00 0.00 173.24 173.50 3bg5 s GLU 701 N 1.37 3.84 -0.03 5.44 2.02 0.32 -0.84 118.70 130.83 3bg5 s GLU 701 Ca -0.01 0.17 -0.28 0.00 0.02 0.00 0.00 54.97 54.87 3bg5 s GLU 701 Cb -0.18 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 3bg5 s GLU 701 CO 0.00 -0.58 0.90 0.20 0.02 0.00 0.00 175.26 175.80 3bg5 s GLY 702 N 1.68 2.78 -0.07 -1.39 0.00 0.05 -0.94 107.32 109.42 3bg5 s GLY 702 Ca 0.23 0.40 0.05 0.00 0.00 0.00 0.00 44.72 45.40 3bg5 s GLY 702 CO 0.12 1.56 -0.20 -1.59 0.00 0.00 0.00 173.10 172.98 3bg5 s THR 703 N 1.03 2.47 -0.21 0.90 2.01 -0.84 0.11 115.64 121.12 3bg5 s THR 703 Ca 0.47 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 3bg5 s THR 703 Cb -0.20 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3bg5 s THR 703 CO 0.24 0.57 0.03 -0.63 -0.69 0.00 0.00 174.62 174.14 3bg5 s ILE 704 N -0.25 4.16 -0.07 1.82 1.01 0.04 -4.59 121.20 123.33 3bg5 s ILE 704 Ca -0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.14 3bg5 s ILE 704 Cb -0.13 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3bg5 s ILE 704 CO 0.03 0.40 0.88 0.00 0.00 0.00 0.00 174.94 176.26 3bg5 s TYR 706 N 1.35 3.55 0.17 0.00 5.04 -0.69 -4.97 117.35 121.80 3bg5 s TYR 706 Ca 0.45 0.86 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 3bg5 s TYR 706 Cb -0.19 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.63 3bg5 s TYR 706 CO 0.21 0.29 0.04 0.99 -1.34 0.00 0.00 175.55 175.74 3bg5 s THR 707 N 0.20 0.42 0.00 4.34 2.01 -1.26 -4.64 115.64 116.72 3bg5 s THR 707 Ca 0.24 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.28 3bg5 s THR 707 Cb -0.15 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.19 3bg5 s THR 707 CO 0.10 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 3bg5 n GLY 708 N -0.22 0.16 3.10 4.40 0.00 -1.26 -4.80 105.19 106.56 3bg5 n GLY 708 Ca -0.05 -0.97 0.01 0.00 0.00 0.00 0.00 46.02 45.01 3bg5 n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bg5 s ASP 709 N -4.00 -1.06 0.47 1.61 3.68 -1.26 -4.82 116.67 111.28 3bg5 s ASP 709 Ca 0.00 0.53 0.30 0.00 2.13 0.00 0.00 52.55 55.51 3bg5 s ASP 709 Cb 0.00 1.90 1.13 0.00 -1.45 0.00 0.00 42.92 44.50 3bg5 s ASP 709 CO 0.00 -0.28 1.88 0.16 0.13 0.00 0.00 175.17 177.05 3bg5 h ILE 710 N 6.04 0.00 0.00 4.11 3.07 -1.87 -2.40 117.51 126.45 3bg5 h ILE 710 Ca -0.16 -0.53 -0.04 0.00 1.55 0.00 0.00 64.86 65.67 3bg5 h ILE 710 Cb 1.16 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 39.20 3bg5 h ILE 710 CO 0.24 0.00 -0.21 -0.07 -1.05 0.00 0.00 178.15 177.06 3bg5 h LEU 711 N 0.00 0.00 -8.27 0.16 3.38 -1.95 -3.42 115.31 105.20 3bg5 h LEU 711 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3bg5 h LEU 711 Cb 0.57 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.05 3bg5 h LEU 711 CO 0.00 0.21 -0.56 0.21 0.09 0.00 0.00 178.44 178.39 3bg5 s ASN 712 N -6.15 5.53 0.55 -0.43 3.84 -0.91 -4.98 114.94 112.38 3bg5 s ASN 712 Ca 0.01 -1.09 0.31 0.00 0.21 0.00 0.00 52.86 52.29 3bg5 s ASN 712 Cb 0.10 -1.95 1.56 0.00 -0.55 0.00 0.00 41.25 40.41 3bg5 s ASN 712 CO 0.63 -0.37 2.09 -0.65 -2.79 0.00 0.00 177.10 176.02 3bg5 h PRO 713 N 8.33 0.00 -0.86 0.43 0.11 -1.82 -2.85 132.00 135.34 3bg5 h PRO 713 Ca -0.24 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.53 3bg5 h PRO 713 Cb 1.09 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.00 3bg5 h PRO 713 CO 0.64 0.09 0.42 0.39 -0.21 0.00 0.00 178.00 179.33 3bg5 n GLU 714 N -3.46 3.15 -0.08 1.05 4.71 -1.26 -4.29 120.64 120.47 3bg5 n GLU 714 Ca -0.01 -3.02 -0.23 0.00 -0.01 0.00 0.00 57.16 53.89 3bg5 n GLU 714 Cb 0.23 -2.20 -0.12 0.00 -1.01 0.00 0.00 31.44 28.34 3bg5 n GLU 714 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3bg5 n ARG 715 N -0.52 0.64 -3.61 3.49 0.00 -1.08 -5.03 116.66 110.55 3bg5 n ARG 715 Ca 0.48 0.41 -0.14 0.00 -0.00 0.00 0.00 57.85 58.60 3bg5 n ARG 715 Cb 1.50 -1.69 -0.07 0.00 0.00 0.00 0.00 32.46 32.21 3bg5 n ARG 715 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3bg5 s SER 716 N -6.98 -0.68 0.29 6.15 0.15 -1.26 -5.00 113.70 106.37 3bg5 s SER 716 Ca -0.29 1.22 0.16 0.00 0.70 0.00 0.00 55.95 57.74 3bg5 s SER 716 Cb 0.08 1.20 0.17 0.00 -1.71 0.00 0.00 66.02 65.75 3bg5 s SER 716 CO 0.63 -0.29 1.49 0.78 1.20 0.00 0.00 173.24 177.05 3bg5 h ASN 717 N 4.49 0.00 0.00 5.45 4.21 -1.96 -3.40 115.58 124.38 3bg5 h ASN 717 Ca -0.28 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.10 3bg5 h ASN 717 Cb 1.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.34 3bg5 h ASN 717 CO 0.12 0.49 -0.90 0.40 -1.29 0.00 0.00 177.43 176.26 3bg5 h ILE 717 N 0.00 0.52 -0.98 2.81 5.03 -1.98 -3.42 117.51 119.49 3bg5 h ILE 717 Ca -0.00 -1.66 -0.73 0.00 -0.12 0.00 0.00 64.86 62.35 3bg5 h ILE 717 Cb 1.31 1.25 -0.11 0.00 -3.03 0.00 0.00 36.82 36.25 3bg5 h ILE 717 CO 0.06 0.18 2.31 -1.22 -0.68 0.00 0.00 178.15 178.80 3bg5 n TYR 718 N -4.52 3.74 -4.16 1.37 4.02 -1.26 -4.54 117.16 111.81 3bg5 n TYR 718 Ca -0.21 -2.95 -0.23 0.00 -0.01 0.00 0.00 57.90 54.50 3bg5 n TYR 718 Cb 0.49 -2.29 -0.06 0.00 -0.02 0.00 0.00 39.34 37.46 3bg5 n TYR 718 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3bg5 s THR 719 N 2.09 4.13 0.27 -0.72 2.01 -1.26 -4.57 115.64 117.59 3bg5 s THR 719 Ca 0.45 -1.48 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 3bg5 s THR 719 Cb 0.08 -3.19 0.26 0.00 0.01 0.00 0.00 72.50 69.65 3bg5 s THR 719 CO -0.01 -0.29 1.72 0.25 -0.69 0.00 0.00 174.62 175.59 3bg5 h LEU 720 N 1.86 0.35 -1.08 4.42 5.85 -1.91 0.11 115.31 124.91 3bg5 h LEU 720 Ca -0.47 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3bg5 h LEU 720 Cb 1.23 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3bg5 h LEU 720 CO 0.61 0.08 0.23 -0.08 -0.34 0.00 0.00 178.44 178.94 3bg5 h GLU 721 N 0.46 0.88 -0.41 1.25 4.57 -1.94 -2.15 114.58 117.24 3bg5 h GLU 721 Ca 0.49 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.57 3bg5 h GLU 721 Cb 0.82 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 3bg5 h GLU 721 CO -0.45 0.73 0.16 -0.92 -1.18 0.00 0.00 179.01 177.35 3bg5 h TYR 722 N 0.86 0.29 -0.49 0.92 3.20 -1.23 -1.92 116.97 118.61 3bg5 h TYR 722 Ca 0.20 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 3bg5 h TYR 722 Cb 0.19 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3bg5 h TYR 722 CO 0.01 0.12 -0.19 1.88 -1.64 0.00 0.00 178.16 178.35 3bg5 h TYR 723 N 0.34 1.12 -0.76 -3.82 -1.99 -1.05 -1.45 116.97 109.35 3bg5 h TYR 723 Ca 0.19 -0.26 0.01 0.00 2.00 0.00 0.00 58.73 60.66 3bg5 h TYR 723 Cb 0.15 -0.27 -0.04 0.00 2.00 0.00 0.00 36.73 38.58 3bg5 h TYR 723 CO -0.14 1.08 0.50 0.28 -0.00 0.00 0.00 178.16 179.89 3bg5 h VAL 724 N 0.84 1.20 -0.66 -2.88 2.07 -1.26 0.88 116.25 116.44 3bg5 h VAL 724 Ca 0.11 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3bg5 h VAL 724 Cb 0.76 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3bg5 h VAL 724 CO 0.06 0.19 0.13 0.11 0.02 0.00 0.00 177.57 178.08 3bg5 h LYS 725 N 1.04 1.08 -0.30 1.57 1.57 -1.19 -1.41 116.57 118.93 3bg5 h LYS 725 Ca 0.28 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3bg5 h LYS 725 Cb -0.12 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3bg5 h LYS 725 CO -0.06 0.98 0.08 1.25 -0.57 0.00 0.00 179.45 181.13 3bg5 h LEU 726 N 1.00 0.44 -1.15 2.94 5.85 -0.93 -2.11 115.31 121.35 3bg5 h LEU 726 Ca 0.20 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3bg5 h LEU 726 Cb 0.41 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3bg5 h LEU 726 CO 0.01 0.55 0.58 0.00 -0.34 0.00 0.00 178.44 179.24 3bg5 h ALA 727 N 0.91 1.47 -0.17 1.25 0.00 -0.72 -2.33 119.26 119.67 3bg5 h ALA 727 Ca 0.09 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3bg5 h ALA 727 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3bg5 h ALA 727 CO -0.00 0.43 -0.38 0.87 0.00 0.00 0.00 179.25 180.17 3bg5 h LYS 728 N 1.08 0.38 -0.41 0.00 1.57 -1.03 -1.92 116.57 116.24 3bg5 h LYS 728 Ca 0.36 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 3bg5 h LYS 728 Cb 0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3bg5 h LYS 728 CO -0.12 0.71 -0.07 0.93 -0.57 0.00 0.00 179.45 180.34 3bg5 h GLU 729 N 0.32 0.78 -0.34 3.15 5.08 -0.91 -2.85 114.58 119.81 3bg5 h GLU 729 Ca 0.03 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 3bg5 h GLU 729 Cb 0.82 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3bg5 h GLU 729 CO 0.07 0.89 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.62 3bg5 h LEU 730 N 0.60 0.83 -0.15 1.33 3.38 -1.23 -0.38 115.31 119.69 3bg5 h LEU 730 Ca 0.11 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.67 3bg5 h LEU 730 Cb 0.58 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3bg5 h LEU 730 CO 0.03 1.11 -0.12 -0.08 0.09 0.00 0.00 178.44 179.47 3bg5 h GLU 731 N 0.56 -0.13 -0.67 1.13 4.81 -1.42 -2.19 114.58 116.67 3bg5 h GLU 731 Ca 0.06 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3bg5 h GLU 731 Cb 0.85 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 3bg5 h GLU 731 CO 0.07 -0.08 0.45 -0.09 -0.73 0.00 0.00 179.01 178.63 3bg5 h ARG 732 N -0.13 0.50 0.00 1.92 2.43 -1.33 -1.05 114.38 116.72 3bg5 h ARG 732 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3bg5 h ARG 732 Cb 0.27 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3bg5 h ARG 732 CO -0.23 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 178.95 3bg5 n GLU 733 N -4.48 0.16 -0.46 0.20 -0.58 -0.17 -4.90 120.64 110.42 3bg5 n GLU 733 Ca 0.11 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 3bg5 n GLU 733 Cb 0.36 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3bg5 n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg5 n GLY 734 N -0.03 0.81 3.77 0.62 0.00 -0.40 -5.02 105.19 104.95 3bg5 n GLY 734 Ca 0.02 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 3bg5 n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 735 N -2.00 3.03 0.05 1.61 0.40 -1.16 -4.96 117.98 114.96 3bg5 s PHE 735 Ca 0.00 1.54 -0.01 0.00 -0.60 0.00 0.00 56.93 57.86 3bg5 s PHE 735 Cb 0.00 -3.42 -0.27 0.00 0.51 0.00 0.00 43.02 39.85 3bg5 s PHE 735 CO 0.00 -1.40 1.05 0.45 0.70 0.00 0.00 175.22 176.02 3bg5 h HIS 736 N 2.61 0.37 -3.83 0.36 3.86 -1.34 -3.45 115.15 113.73 3bg5 h HIS 736 Ca -0.49 -0.27 -0.39 0.00 -1.16 0.00 0.00 60.37 58.06 3bg5 h HIS 736 Cb 1.24 -0.01 -0.30 0.00 1.06 0.00 0.00 27.41 29.39 3bg5 h HIS 736 CO 0.55 1.25 -0.77 0.42 0.86 0.00 0.00 177.93 180.23 3bg5 s ILE 737 N -2.65 0.63 -0.11 2.45 1.01 -1.13 -4.46 121.20 116.94 3bg5 s ILE 737 Ca -0.05 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 3bg5 s ILE 737 Cb 0.08 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3bg5 s ILE 737 CO 0.86 0.20 0.85 -0.22 0.00 0.00 0.00 174.94 176.63 3bg5 s LEU 738 N 0.15 4.24 -0.03 2.97 2.96 -0.55 -0.77 118.68 127.65 3bg5 s LEU 738 Ca -0.02 1.30 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 3bg5 s LEU 738 Cb -0.07 -3.30 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 3bg5 s LEU 738 CO 0.00 -0.33 -0.20 0.00 -1.32 0.00 0.00 176.35 174.50 3bg5 s ALA 739 N 1.69 2.43 -0.29 5.97 0.00 0.31 -0.23 121.76 131.64 3bg5 s ALA 739 Ca 0.42 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 3bg5 s ALA 739 Cb -0.18 -0.76 0.05 0.00 0.00 0.00 0.00 23.12 22.23 3bg5 s ALA 739 CO 0.17 0.55 -0.01 0.42 0.00 0.00 0.00 175.76 176.89 3bg5 s ILE 740 N -0.69 3.01 -0.47 0.00 1.01 -0.86 -0.78 121.20 122.41 3bg5 s ILE 740 Ca 0.11 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.24 3bg5 s ILE 740 Cb -0.10 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.70 3bg5 s ILE 740 CO 0.00 -0.06 0.68 -0.75 0.00 0.00 0.00 174.94 174.81 3bg5 s LYS 741 N 1.27 3.25 -1.10 2.79 2.20 -0.15 -0.89 119.74 127.11 3bg5 s LYS 741 Ca -0.04 -0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 3bg5 s LYS 741 Cb -0.19 -3.99 0.29 0.00 -1.51 0.00 0.00 37.83 32.42 3bg5 s LYS 741 CO -0.01 -1.12 1.22 -3.47 -0.36 0.00 0.00 175.35 171.61 3bg5 n ASP 742 N 6.40 5.76 0.23 1.43 2.03 -0.12 -1.70 116.55 130.57 3bg5 n ASP 742 Ca -0.02 -3.15 0.08 0.00 0.52 0.00 0.00 54.79 52.21 3bg5 n ASP 742 Cb 0.47 -1.34 0.57 0.00 -0.72 0.00 0.00 41.12 40.11 3bg5 n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bg5 h MET 743 N 6.26 0.00 -0.02 -0.67 -0.00 -1.84 -2.67 114.93 116.00 3bg5 h MET 743 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 3bg5 h MET 743 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 3bg5 h MET 743 CO 1.11 0.18 -0.37 0.00 -0.00 0.00 0.00 176.91 177.82 3bg5 n ALA 744 N -2.43 3.32 -2.42 -3.00 0.00 -1.26 -2.43 120.51 112.30 3bg5 n ALA 744 Ca -0.02 -0.64 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 3bg5 n ALA 744 Cb 0.25 -0.77 0.01 0.00 0.00 0.00 0.00 19.45 18.94 3bg5 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 745 N 1.38 0.02 0.18 0.00 0.00 -1.01 -4.76 105.19 101.00 3bg5 n GLY 745 Ca 0.10 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.81 3bg5 n GLY 745 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bg5 h LEU 746 N -0.35 0.00 -8.25 0.99 3.38 -1.88 -3.44 115.31 105.76 3bg5 h LEU 746 Ca -0.25 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.42 3bg5 h LEU 746 Cb 1.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 3bg5 h LEU 746 CO 0.28 0.18 0.75 -0.22 0.09 0.00 0.00 178.44 179.53 3bg5 s LEU 747 N -6.18 3.17 0.87 1.67 2.96 -1.26 -4.93 118.68 114.99 3bg5 s LEU 747 Ca 0.05 -0.59 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 3bg5 s LEU 747 Cb 0.06 -2.56 0.12 0.00 0.50 0.00 0.00 46.19 44.32 3bg5 s LEU 747 CO 0.71 -2.75 1.13 -0.54 -1.32 0.00 0.00 176.35 173.58 3bg5 s LYS 748 N 7.06 1.38 0.11 1.98 1.02 -1.26 -4.68 119.74 125.34 3bg5 s LYS 748 Ca 0.70 1.40 -0.34 0.00 0.02 0.00 0.00 55.97 57.75 3bg5 s LYS 748 Cb -0.07 -1.78 -0.14 0.00 -0.52 0.00 0.00 37.83 35.32 3bg5 s LYS 748 CO 0.01 -2.33 1.55 -1.35 -0.92 0.00 0.00 175.35 172.30 3bg5 h PRO 749 N -1.65 -0.62 -0.62 -1.68 0.11 -1.89 0.52 132.00 126.16 3bg5 h PRO 749 Ca -0.44 0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.73 3bg5 h PRO 749 Cb 1.26 0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.47 3bg5 h PRO 749 CO 0.45 -0.41 0.40 -0.22 -0.21 0.00 0.00 178.00 178.01 3bg5 h LYS 750 N -0.64 0.78 -0.95 1.05 3.11 -1.95 -1.59 116.57 116.38 3bg5 h LYS 750 Ca 0.02 -0.05 0.09 0.00 -2.81 0.00 0.00 60.65 57.90 3bg5 h LYS 750 Cb 0.71 -0.18 -0.07 0.00 -1.00 0.00 0.00 32.23 31.69 3bg5 h LYS 750 CO -0.39 0.52 0.59 0.00 -2.81 0.00 0.00 179.45 177.36 3bg5 h ALA 751 N 1.25 1.36 -0.55 5.00 0.00 -1.83 0.25 119.26 124.73 3bg5 h ALA 751 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3bg5 h ALA 751 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3bg5 h ALA 751 CO -0.08 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.39 3bg5 h ALA 752 N 1.47 0.83 0.12 0.00 0.00 -0.34 0.45 119.26 121.80 3bg5 h ALA 752 Ca 0.44 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3bg5 h ALA 752 Cb 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3bg5 h ALA 752 CO -0.22 0.66 -0.06 -0.92 0.00 0.00 0.00 179.25 178.72 3bg5 h TYR 753 N 0.91 -0.15 0.04 0.00 3.20 -0.29 -2.03 116.97 118.64 3bg5 h TYR 753 Ca 0.15 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3bg5 h TYR 753 Cb 0.62 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3bg5 h TYR 753 CO 0.04 0.00 -0.12 0.93 -1.64 0.00 0.00 178.16 177.38 3bg5 h GLU 754 N -0.28 -0.21 0.57 1.82 5.08 -0.47 -2.41 114.58 118.69 3bg5 h GLU 754 Ca -0.02 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3bg5 h GLU 754 Cb 0.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3bg5 h GLU 754 CO 0.03 -0.14 -0.30 1.25 -1.00 0.00 0.00 179.01 178.85 3bg5 h LEU 755 N -0.22 -0.74 -1.10 1.33 5.85 -0.06 -2.78 115.31 117.60 3bg5 h LEU 755 Ca 0.03 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3bg5 h LEU 755 Cb 0.25 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3bg5 h LEU 755 CO -0.09 -0.50 -0.45 0.40 -0.34 0.00 0.00 178.44 177.47 3bg5 h ILE 756 N -0.81 1.32 -0.05 4.05 2.04 -1.43 -0.73 117.51 121.92 3bg5 h ILE 756 Ca -0.07 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 3bg5 h ILE 756 Cb 0.64 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3bg5 h ILE 756 CO 0.11 0.44 0.02 1.23 0.00 0.00 0.00 178.15 179.94 3bg5 h GLY 757 N 1.34 0.07 1.64 5.37 0.00 -1.42 0.02 103.07 110.10 3bg5 h GLY 757 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3bg5 h GLY 757 CO 0.06 0.04 -0.16 0.83 0.00 0.00 0.00 176.54 177.30 3bg5 h GLU 758 N -0.09 0.44 -0.04 4.80 4.39 -1.27 -2.46 114.58 120.35 3bg5 h GLU 758 Ca 0.02 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.41 3bg5 h GLU 758 Cb 0.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3bg5 h GLU 758 CO -0.00 0.59 -0.73 -0.07 -1.16 0.00 0.00 179.01 177.64 3bg5 h LEU 759 N 0.40 0.27 -0.61 1.33 3.38 -1.00 -0.40 115.31 118.69 3bg5 h LEU 759 Ca 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3bg5 h LEU 759 Cb 0.52 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3bg5 h LEU 759 CO 0.03 0.91 0.23 0.11 0.09 0.00 0.00 178.44 179.81 3bg5 h LYS 760 N 0.15 0.91 -0.33 1.13 1.79 -0.85 -2.35 116.57 117.02 3bg5 h LYS 760 Ca -0.02 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.26 3bg5 h LYS 760 Cb 1.30 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 3bg5 h LYS 760 CO 0.11 0.78 0.15 1.03 -1.08 0.00 0.00 179.45 180.44 3bg5 h SER 761 N 0.85 0.45 0.07 0.86 0.87 -1.28 -3.33 113.55 112.03 3bg5 h SER 761 Ca 0.20 -0.15 -0.25 0.00 -1.23 0.00 0.00 61.79 60.36 3bg5 h SER 761 Cb 0.22 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3bg5 h SER 761 CO -0.01 0.47 -0.99 0.00 -0.53 0.00 0.00 176.83 175.77 3bg5 h ALA 762 N 1.00 0.21 -2.49 6.23 0.00 -1.02 -3.47 119.26 119.72 3bg5 h ALA 762 Ca 0.11 -0.69 -0.62 0.00 0.00 0.00 0.00 54.91 53.71 3bg5 h ALA 762 Cb 0.15 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.82 3bg5 h ALA 762 CO -0.01 0.72 -0.77 0.14 0.00 0.00 0.00 179.25 179.32 3bg5 s VAL 763 N -3.36 2.49 -2.50 0.00 -7.23 -0.89 -4.97 120.40 103.94 3bg5 s VAL 763 Ca -0.09 -2.28 0.23 0.00 -1.81 0.00 0.00 61.98 58.04 3bg5 s VAL 763 Cb 0.08 -2.28 0.42 0.00 0.56 0.00 0.00 36.38 35.16 3bg5 s VAL 763 CO 0.91 -0.32 1.49 0.47 -0.31 0.00 0.00 175.10 177.34 3bg5 n ASP 765 N -0.38 2.39 -4.77 4.85 8.00 -1.26 -4.69 116.55 120.69 3bg5 n ASP 765 Ca -0.07 -1.81 -0.39 0.00 0.71 0.00 0.00 54.79 53.23 3bg5 n ASP 765 Cb 0.59 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 3bg5 n ASP 765 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bg5 s LEU 766 N -1.69 4.52 0.57 0.64 1.02 -1.26 -5.05 118.68 117.43 3bg5 s LEU 766 Ca 0.34 1.84 -0.20 0.00 0.02 0.00 0.00 54.13 56.13 3bg5 s LEU 766 Cb 0.20 -3.71 -0.04 0.00 0.02 0.00 0.00 46.19 42.66 3bg5 s LEU 766 CO 0.30 0.08 1.27 -2.84 0.02 0.00 0.00 176.35 175.17 3bg5 s PRO 767 N -1.53 3.04 -0.15 1.29 0.02 -1.26 -4.76 135.00 131.65 3bg5 s PRO 767 Ca 0.44 2.00 -0.06 0.00 0.02 0.00 0.00 61.00 63.40 3bg5 s PRO 767 Cb -0.22 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 3bg5 s PRO 767 CO 0.28 -1.20 0.05 0.42 -0.33 0.00 0.00 177.00 176.21 3bg5 s ILE 768 N -1.45 4.67 -0.36 2.83 1.09 -1.26 -1.48 121.20 125.24 3bg5 s ILE 768 Ca 0.75 -0.09 0.02 0.00 -1.10 0.00 0.00 60.65 60.23 3bg5 s ILE 768 Cb -0.35 -3.05 0.10 0.00 -1.06 0.00 0.00 42.46 38.10 3bg5 s ILE 768 CO 0.39 0.52 0.09 -2.28 -0.10 0.00 0.00 174.94 173.57 3bg5 s HIS 769 N -0.14 3.72 -0.11 3.97 2.46 0.68 -1.79 115.29 124.08 3bg5 s HIS 769 Ca 0.06 -2.87 -0.20 0.00 0.47 0.00 0.00 55.06 52.53 3bg5 s HIS 769 Cb -0.12 -3.00 -0.04 0.00 -0.13 0.00 0.00 32.58 29.29 3bg5 s HIS 769 CO 0.01 -0.95 0.54 -1.17 -2.47 0.00 0.00 174.74 170.70 3bg5 s LEU 770 N 0.93 4.28 -0.06 8.88 2.96 0.67 -2.04 118.68 134.32 3bg5 s LEU 770 Ca 0.10 0.92 0.05 0.00 -0.22 0.00 0.00 54.13 54.99 3bg5 s LEU 770 Cb -0.20 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 3bg5 s LEU 770 CO -0.07 -0.04 -0.23 -2.28 -1.32 0.00 0.00 176.35 172.42 3bg5 s HIS 771 N 0.70 2.23 0.25 5.38 5.65 -0.07 -1.47 115.29 127.96 3bg5 s HIS 771 Ca 0.29 -0.67 -0.12 0.00 0.25 0.00 0.00 55.06 54.81 3bg5 s HIS 771 Cb -0.16 -1.48 -0.00 0.00 -1.18 0.00 0.00 32.58 29.76 3bg5 s HIS 771 CO 0.12 -0.21 0.47 -0.08 -0.65 0.00 0.00 174.74 174.39 3bg5 s THR 772 N -0.08 0.00 -0.05 0.89 -1.32 -1.26 -0.95 115.64 112.87 3bg5 s THR 772 Ca -0.04 -1.44 0.06 0.00 -1.21 0.00 0.00 61.69 59.06 3bg5 s THR 772 Cb -0.13 -2.25 -0.01 0.00 -1.51 0.00 0.00 72.50 68.59 3bg5 s THR 772 CO 0.04 0.00 -0.24 -1.00 -2.21 0.00 0.00 174.62 171.20 3bg5 s HIS 773 N -3.94 2.45 -0.18 9.09 3.76 -1.21 -4.55 115.29 120.71 3bg5 s HIS 773 Ca 0.23 -0.66 0.01 0.00 -0.15 0.00 0.00 55.06 54.50 3bg5 s HIS 773 Cb -0.00 -1.59 0.18 0.00 1.11 0.00 0.00 32.58 32.27 3bg5 s HIS 773 CO 0.10 -0.17 1.21 -3.47 -0.85 0.00 0.00 174.74 171.55 3bg5 n ASP 774 N 2.86 3.12 0.29 1.40 4.64 -0.84 -4.26 116.55 123.75 3bg5 n ASP 774 Ca -0.17 -2.41 0.17 0.00 -1.38 0.00 0.00 54.79 50.99 3bg5 n ASP 774 Cb 0.52 -0.59 0.83 0.00 -1.04 0.00 0.00 41.12 40.84 3bg5 n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3bg5 h THR 775 N 0.33 0.23 0.00 5.18 1.03 -1.33 -1.65 112.91 116.71 3bg5 h THR 775 Ca 0.15 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 3bg5 h THR 775 Cb 1.45 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 3bg5 h THR 775 CO 0.28 0.05 -0.69 0.77 -0.01 0.00 0.00 175.52 175.92 3bg5 h SER 776 N 0.00 0.00 0.00 0.00 4.64 -1.77 -1.15 113.55 115.26 3bg5 h SER 776 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3bg5 h SER 776 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3bg5 h SER 776 CO 0.01 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3bg5 n GLY 777 N 1.29 1.01 1.49 -0.77 0.00 -0.62 -4.39 105.19 103.19 3bg5 n GLY 777 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3bg5 n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bg5 n ASN 778 N 0.00 4.86 0.10 1.61 5.03 -1.26 -4.67 115.26 120.92 3bg5 n ASN 778 Ca 0.00 -2.76 -0.12 0.00 0.87 0.00 0.00 54.58 52.56 3bg5 n ASN 778 Cb 0.00 -0.60 -0.05 0.00 -1.02 0.00 0.00 39.78 38.11 3bg5 n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3bg5 h GLY 779 N 3.37 -0.39 0.93 7.41 0.00 -1.85 -1.75 103.07 110.80 3bg5 h GLY 779 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3bg5 h GLY 779 CO 0.33 -0.20 -0.07 1.41 0.00 0.00 0.00 176.54 178.00 3bg5 h LEU 780 N -0.40 -0.17 -0.51 3.11 3.38 -1.97 -1.02 115.31 117.72 3bg5 h LEU 780 Ca 0.04 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3bg5 h LEU 780 Cb 0.44 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 3bg5 h LEU 780 CO -0.15 -0.06 -0.13 0.25 0.09 0.00 0.00 178.44 178.44 3bg5 h LEU 781 N -0.28 -0.49 -0.78 1.67 6.46 -1.89 0.20 115.31 120.21 3bg5 h LEU 781 Ca -0.02 0.16 0.13 0.00 -0.12 0.00 0.00 57.88 58.02 3bg5 h LEU 781 Cb 0.22 0.32 -0.09 0.00 -0.73 0.00 0.00 40.66 40.38 3bg5 h LEU 781 CO 0.03 -0.17 0.38 0.74 -0.62 0.00 0.00 178.44 178.80 3bg5 h THR 782 N -0.00 0.76 -0.53 1.05 2.02 -0.96 -0.72 112.91 114.51 3bg5 h THR 782 Ca 0.25 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 3bg5 h THR 782 Cb 0.38 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3bg5 h THR 782 CO -0.53 0.11 0.00 1.88 0.37 0.00 0.00 175.52 177.35 3bg5 h TYR 783 N 0.58 0.97 -0.62 3.16 0.99 0.32 -1.67 116.97 120.69 3bg5 h TYR 783 Ca 0.41 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 3bg5 h TYR 783 Cb 0.54 -0.26 -0.03 0.00 1.00 0.00 0.00 36.73 37.98 3bg5 h TYR 783 CO -0.12 0.87 0.15 -0.22 -0.00 0.00 0.00 178.16 178.84 3bg5 h LYS 784 N 0.83 0.98 -0.34 4.88 3.11 0.70 -0.76 116.57 125.98 3bg5 h LYS 784 Ca 0.16 -0.22 -0.17 0.00 -2.81 0.00 0.00 60.65 57.61 3bg5 h LYS 784 Cb 0.49 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 3bg5 h LYS 784 CO 0.02 0.88 -0.45 1.96 -2.81 0.00 0.00 179.45 179.05 3bg5 h GLN 785 N 0.94 0.88 -0.92 1.90 1.08 -1.10 -1.77 115.11 116.12 3bg5 h GLN 785 Ca 0.20 -0.50 -0.01 0.00 -1.45 0.00 0.00 58.65 56.89 3bg5 h GLN 785 Cb 0.34 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 3bg5 h GLN 785 CO 0.00 1.14 0.54 0.00 -0.95 0.00 0.00 178.83 179.57 3bg5 h ALA 786 N 0.77 1.23 -0.45 3.87 0.00 -0.91 0.77 119.26 124.54 3bg5 h ALA 786 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3bg5 h ALA 786 Cb 1.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3bg5 h ALA 786 CO 0.10 0.65 0.03 0.82 0.00 0.00 0.00 179.25 180.86 3bg5 h ILE 787 N 1.27 1.26 -0.02 0.00 2.04 -1.11 -0.62 117.51 120.32 3bg5 h ILE 787 Ca 0.33 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3bg5 h ILE 787 Cb -0.04 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3bg5 h ILE 787 CO -0.06 0.34 -0.18 0.44 0.00 0.00 0.00 178.15 178.70 3bg5 h ASP 788 N 0.62 0.03 0.64 1.72 3.45 -0.36 -2.28 116.42 120.24 3bg5 h ASP 788 Ca 0.13 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3bg5 h ASP 788 Cb 0.45 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3bg5 h ASP 788 CO 0.02 0.21 -0.22 0.00 -1.57 0.00 0.00 179.24 177.68 3bg5 n ALA 789 N -2.50 2.90 0.00 3.45 0.00 0.17 -4.95 120.51 119.58 3bg5 n ALA 789 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3bg5 n ALA 789 Cb 0.25 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3bg5 n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 790 N 1.44 1.57 3.76 0.00 0.00 -0.86 -4.24 105.19 106.87 3bg5 n GLY 790 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3bg5 n GLY 790 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bg5 s VAL 791 N -2.00 2.54 -0.13 1.61 0.11 -0.28 -4.92 120.40 117.32 3bg5 s VAL 791 Ca 0.00 0.44 -0.17 0.00 -2.93 0.00 0.00 61.98 59.32 3bg5 s VAL 791 Cb 0.00 -3.24 -0.25 0.00 -1.53 0.00 0.00 36.38 31.36 3bg5 s VAL 791 CO 0.00 0.03 0.48 0.44 -3.33 0.00 0.00 175.10 172.71 3bg5 h ASP 792 N 2.13 0.28 -3.85 3.54 3.32 -1.71 -3.46 116.42 116.68 3bg5 h ASP 792 Ca -0.50 -0.80 -0.30 0.00 0.02 0.00 0.00 57.03 55.46 3bg5 h ASP 792 Cb 1.26 -0.09 -0.28 0.00 0.22 0.00 0.00 39.33 40.44 3bg5 h ASP 792 CO 0.60 1.58 -0.74 -0.63 -1.72 0.00 0.00 179.24 178.32 3bg5 s ILE 793 N -2.44 0.28 0.12 0.35 1.01 -0.74 -1.83 121.20 117.95 3bg5 s ILE 793 Ca -0.22 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.38 3bg5 s ILE 793 Cb 0.04 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3bg5 s ILE 793 CO 0.72 0.08 -0.24 0.27 0.00 0.00 0.00 174.94 175.77 3bg5 s ILE 794 N -0.08 2.04 -0.17 2.92 -5.25 -0.79 -0.24 121.20 119.63 3bg5 s ILE 794 Ca 0.01 -1.70 -0.21 0.00 -0.99 0.00 0.00 60.65 57.76 3bg5 s ILE 794 Cb -0.01 -1.83 -0.03 0.00 2.95 0.00 0.00 42.46 43.54 3bg5 s ILE 794 CO -0.00 0.00 0.66 -1.81 -1.79 0.00 0.00 174.94 172.00 3bg5 s ASP 795 N -2.06 6.75 0.35 4.36 1.11 -0.54 -1.35 116.67 125.29 3bg5 s ASP 795 Ca 0.12 0.92 0.03 0.00 0.18 0.00 0.00 52.55 53.79 3bg5 s ASP 795 Cb -0.10 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 3bg5 s ASP 795 CO 0.06 -0.26 0.12 0.42 1.18 0.00 0.00 175.17 176.69 3bg5 s THR 796 N 1.75 0.65 0.03 -1.27 -4.23 0.54 -4.62 115.64 108.48 3bg5 s THR 796 Ca 0.31 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3bg5 s THR 796 Cb -0.16 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 3bg5 s THR 796 CO 0.11 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.16 3bg5 s ALA 797 N -3.39 0.31 0.41 3.99 0.00 -1.12 -0.67 121.76 121.29 3bg5 s ALA 797 Ca 0.31 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 3bg5 s ALA 797 Cb 0.05 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.26 3bg5 s ALA 797 CO 0.16 -0.22 1.38 0.14 0.00 0.00 0.00 175.76 177.21 3bg5 s VAL 798 N -2.37 2.34 0.15 0.00 -7.23 -1.26 -0.66 120.40 111.37 3bg5 s VAL 798 Ca -0.07 0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 60.29 3bg5 s VAL 798 Cb -0.03 -3.19 0.13 0.00 0.56 0.00 0.00 36.38 33.85 3bg5 s VAL 798 CO -0.04 0.05 1.02 0.00 -0.31 0.00 0.00 175.10 175.82 3bg5 n ALA 799 N 0.12 -0.12 0.86 1.32 0.00 -1.26 0.01 120.51 121.43 3bg5 n ALA 799 Ca 0.03 0.64 0.10 0.00 0.00 0.00 0.00 53.44 54.21 3bg5 n ALA 799 Cb 0.42 -0.27 0.47 0.00 0.00 0.00 0.00 19.45 20.08 3bg5 n ALA 799 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bg5 n SER 800 N -4.95 0.00 -0.54 0.00 3.41 -1.26 -1.67 113.62 108.61 3bg5 n SER 800 Ca 0.06 0.14 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 3bg5 n SER 800 Cb 0.25 -0.35 0.20 0.00 -0.26 0.00 0.00 64.21 64.05 3bg5 n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3bg5 n MET 801 N -1.35 1.56 -4.66 4.33 2.00 0.10 -4.76 117.12 114.35 3bg5 n MET 801 Ca 0.08 -3.18 -0.29 0.00 0.00 0.00 0.00 57.70 54.30 3bg5 n MET 801 Cb 0.18 -1.61 -0.09 0.00 0.00 0.00 0.00 33.22 31.69 3bg5 n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3bg5 s SER 802 N -3.15 3.76 0.00 7.83 1.04 -0.67 -4.56 113.70 117.96 3bg5 s SER 802 Ca 0.37 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.29 3bg5 s SER 802 Cb 0.36 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3bg5 s SER 802 CO -0.05 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3bg5 n GLY 803 N -1.06 -1.83 7.00 7.32 0.00 0.20 -4.80 105.19 112.02 3bg5 n GLY 803 Ca -0.11 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3bg5 n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 804 N -2.29 0.00 0.00 0.99 4.77 -1.21 -1.53 117.00 117.73 3bg5 n LEU 804 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3bg5 n LEU 804 Cb 0.00 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.58 3bg5 n LEU 804 CO 0.00 0.00 0.82 0.35 -1.33 0.00 0.00 177.39 177.23 3bg5 n THR 805 N 0.00 0.46 -0.64 -5.08 -2.24 -1.26 -1.00 114.28 104.52 3bg5 n THR 805 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3bg5 n THR 805 Cb 0.00 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 3bg5 n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bg5 n SER 806 N -1.36 0.00 -4.91 3.42 2.88 -0.58 -4.65 113.62 108.42 3bg5 n SER 806 Ca 0.08 -0.39 -0.27 0.00 -1.33 0.00 0.00 58.87 56.95 3bg5 n SER 806 Cb 0.19 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 3bg5 n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3bg5 s GLN 807 N -0.92 3.56 0.47 -1.46 -1.52 -1.26 -1.99 119.66 116.54 3bg5 s GLN 807 Ca 0.00 0.18 -0.22 0.00 -1.95 0.00 0.00 55.36 53.37 3bg5 s GLN 807 Cb 0.00 -2.40 -0.10 0.00 -0.22 0.00 0.00 33.01 30.29 3bg5 s GLN 807 CO 0.00 -0.16 0.89 -2.30 -0.25 0.00 0.00 175.29 173.47 3bg5 n PRO 808 N -2.11 1.08 -1.97 2.91 -0.02 -1.26 -0.63 135.00 133.00 3bg5 n PRO 808 Ca 0.00 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3bg5 n PRO 808 Cb 0.55 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3bg5 n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3bg5 s SER 809 N -0.90 6.63 0.19 2.55 0.15 -1.26 -2.81 113.70 118.25 3bg5 s SER 809 Ca 0.66 2.45 -0.08 0.00 0.70 0.00 0.00 55.95 59.68 3bg5 s SER 809 Cb -0.53 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.31 3bg5 s SER 809 CO 0.55 -0.86 1.65 0.00 1.20 0.00 0.00 173.24 175.78 3bg5 h ALA 810 N 8.08 0.85 -0.73 5.45 0.00 -1.21 -2.67 119.26 129.03 3bg5 h ALA 810 Ca -0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3bg5 h ALA 810 Cb 1.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3bg5 h ALA 810 CO 0.92 0.66 0.40 -0.91 0.00 0.00 0.00 179.25 180.32 3bg5 h ASN 811 N 0.94 0.91 -0.08 0.00 -0.26 -1.92 -2.05 115.58 113.11 3bg5 h ASN 811 Ca 0.16 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 3bg5 h ASN 811 Cb 0.58 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.61 3bg5 h ASN 811 CO 0.03 0.74 -0.01 0.28 -1.06 0.00 0.00 177.43 177.41 3bg5 h SER 812 N 1.00 0.15 -0.91 5.81 0.02 -1.94 -3.16 113.55 114.52 3bg5 h SER 812 Ca 0.26 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3bg5 h SER 812 Cb 0.04 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3bg5 h SER 812 CO -0.04 0.47 0.60 0.25 -1.14 0.00 0.00 176.83 176.97 3bg5 h LEU 813 N -0.18 1.03 -0.41 5.07 5.85 -1.41 0.54 115.31 125.81 3bg5 h LEU 813 Ca 0.02 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3bg5 h LEU 813 Cb 0.40 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3bg5 h LEU 813 CO 0.01 0.74 0.01 0.22 -0.34 0.00 0.00 178.44 179.08 3bg5 h TYR 814 N 1.22 0.00 0.00 1.25 3.20 -1.34 -0.71 116.97 120.59 3bg5 h TYR 814 Ca 0.33 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 62.10 3bg5 h TYR 814 Cb -0.13 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3bg5 h TYR 814 CO -0.00 -0.07 -0.65 1.88 -1.64 0.00 0.00 178.16 177.69 3bg5 h TYR 815 N 0.12 0.00 -0.62 -3.82 -1.99 -1.46 -3.20 116.97 106.01 3bg5 h TYR 815 Ca 0.20 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.96 3bg5 h TYR 815 Cb 0.28 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.98 3bg5 h TYR 815 CO -0.26 0.65 0.41 0.00 -0.00 0.00 0.00 178.16 178.96 3bg5 h ALA 816 N 1.35 1.66 -0.01 3.88 0.00 0.48 -2.68 119.26 123.95 3bg5 h ALA 816 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3bg5 h ALA 816 Cb 1.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3bg5 h ALA 816 CO 0.08 0.28 -0.03 1.28 0.00 0.00 0.00 179.25 180.86 3bg5 n LEU 817 N -4.46 0.57 -4.68 0.00 4.77 -0.45 -4.88 117.00 107.87 3bg5 n LEU 817 Ca 0.07 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 3bg5 n LEU 817 Cb 0.13 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3bg5 n LEU 817 CO 0.35 0.10 1.52 0.59 -1.33 0.00 0.00 177.39 178.62 3bg5 n ASN 818 N -0.65 3.98 0.00 -1.43 5.03 -1.01 -1.71 115.26 119.46 3bg5 n ASN 818 Ca 0.20 0.96 0.00 0.00 0.87 0.00 0.00 54.58 56.60 3bg5 n ASN 818 Cb 0.23 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.48 3bg5 n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 819 N 4.35 0.78 3.90 7.41 0.00 -1.26 -5.07 105.19 115.30 3bg5 n GLY 819 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3bg5 n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 820 N -2.27 3.48 0.35 1.61 0.40 -0.69 -5.01 117.98 115.84 3bg5 s PHE 820 Ca 0.00 0.52 0.15 0.00 -0.60 0.00 0.00 56.93 57.00 3bg5 s PHE 820 Cb 0.00 -1.98 1.14 0.00 0.51 0.00 0.00 43.02 42.69 3bg5 s PHE 820 CO 0.00 0.45 1.62 -1.00 0.70 0.00 0.00 175.22 176.99 3bg5 h PRO 821 N 2.86 0.14 -5.86 0.24 0.13 -1.98 -3.40 132.00 124.13 3bg5 h PRO 821 Ca -0.46 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 3bg5 h PRO 821 Cb 1.16 -0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 3bg5 h PRO 821 CO 0.73 0.09 -0.69 1.03 -0.23 0.00 0.00 178.00 178.94 3bg5 s ARG 822 N -5.65 3.04 0.40 0.86 0.52 -1.26 -5.07 118.95 111.78 3bg5 s ARG 822 Ca -0.10 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 3bg5 s ARG 822 Cb 0.31 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 3bg5 s ARG 822 CO 0.78 0.53 0.25 -1.01 0.02 0.00 0.00 175.30 175.87 3bg5 s HIS 823 N -0.45 2.67 -0.34 -0.53 3.76 -1.26 -4.92 115.29 114.23 3bg5 s HIS 823 Ca 0.07 -0.51 -0.18 0.00 -0.15 0.00 0.00 55.06 54.29 3bg5 s HIS 823 Cb -0.12 -1.98 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 3bg5 s HIS 823 CO 0.02 0.10 0.50 -1.17 -0.85 0.00 0.00 174.74 173.35 3bg5 s LEU 824 N -3.98 4.31 -1.04 0.89 2.96 -1.26 -1.33 118.68 119.22 3bg5 s LEU 824 Ca 0.43 0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 54.14 3bg5 s LEU 824 Cb 0.00 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.06 3bg5 s LEU 824 CO 0.25 -0.44 1.90 -0.60 -1.32 0.00 0.00 176.35 176.13 3bg5 s ARG 825 N 2.36 2.68 0.19 1.98 6.06 -0.64 -4.83 118.95 126.76 3bg5 s ARG 825 Ca 0.19 -0.78 -0.22 0.00 -2.50 0.00 0.00 55.73 52.42 3bg5 s ARG 825 Cb -0.15 -5.18 0.08 0.00 0.06 0.00 0.00 34.95 29.75 3bg5 s ARG 825 CO 0.13 -3.47 1.03 -0.08 -2.50 0.00 0.00 175.30 170.40 3bg5 s THR 826 N 9.79 0.00 -0.39 4.11 -1.32 -1.26 -4.50 115.64 122.06 3bg5 s THR 826 Ca 0.67 -0.60 -0.06 0.00 -1.21 0.00 0.00 61.69 60.49 3bg5 s THR 826 Cb -0.03 -2.87 0.08 0.00 -1.51 0.00 0.00 72.50 68.17 3bg5 s THR 826 CO 0.04 0.00 0.19 -0.62 -2.21 0.00 0.00 174.62 172.02 3bg5 s ASP 827 N -3.38 5.38 0.06 8.08 3.68 -1.26 -5.02 116.67 124.22 3bg5 s ASP 827 Ca 0.21 -1.58 -0.19 0.00 2.13 0.00 0.00 52.55 53.12 3bg5 s ASP 827 Cb -0.03 -1.89 -0.08 0.00 -1.45 0.00 0.00 42.92 39.48 3bg5 s ASP 827 CO 0.05 -0.48 1.31 0.16 0.13 0.00 0.00 175.17 176.34 3bg5 h ILE 828 N 6.23 0.00 -1.24 4.11 -0.00 -1.96 -1.51 117.51 123.13 3bg5 h ILE 828 Ca -0.20 0.00 0.36 0.00 -0.00 0.00 0.00 64.86 65.03 3bg5 h ILE 828 Cb 1.07 0.00 -0.09 0.00 -0.00 0.00 0.00 36.82 37.80 3bg5 h ILE 828 CO 0.69 0.00 0.83 -0.08 -0.00 0.00 0.00 178.15 179.59 3bg5 h GLU 829 N -0.36 0.17 0.18 0.16 4.81 -2.00 0.23 114.58 117.77 3bg5 h GLU 829 Ca 0.01 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 3bg5 h GLU 829 Cb 0.40 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.77 3bg5 h GLU 829 CO -0.21 0.11 -1.24 0.78 -0.73 0.00 0.00 179.01 177.71 3bg5 h GLY 830 N 0.17 0.59 0.31 1.92 0.00 -1.90 -2.63 103.07 101.53 3bg5 h GLY 830 Ca 0.69 -1.39 0.11 0.00 0.00 0.00 0.00 47.33 46.74 3bg5 h GLY 830 CO -0.25 1.22 0.27 -0.33 0.00 0.00 0.00 176.54 177.45 3bg5 h MET 831 N 0.07 0.43 0.00 4.80 2.86 0.47 0.43 114.93 124.00 3bg5 h MET 831 Ca -0.21 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3bg5 h MET 831 Cb 1.96 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.52 3bg5 h MET 831 CO 0.24 0.29 -0.00 0.93 1.06 0.00 0.00 176.91 179.42 3bg5 h GLU 832 N 0.45 -0.00 -0.68 1.72 4.39 -1.31 0.48 114.58 119.62 3bg5 h GLU 832 Ca 0.35 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.10 3bg5 h GLU 832 Cb 0.46 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 3bg5 h GLU 832 CO -0.34 0.15 0.40 1.03 -1.16 0.00 0.00 179.01 179.09 3bg5 h SER 833 N -0.16 0.62 -0.50 1.42 0.87 -1.03 -0.02 113.55 114.76 3bg5 h SER 833 Ca -0.00 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3bg5 h SER 833 Cb 0.15 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3bg5 h SER 833 CO 0.00 0.42 0.11 -0.07 -0.53 0.00 0.00 176.83 176.75 3bg5 h LEU 834 N 0.76 0.78 -0.05 2.23 3.38 0.06 -2.52 115.31 119.94 3bg5 h LEU 834 Ca 0.29 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3bg5 h LEU 834 Cb 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3bg5 h LEU 834 CO -0.15 0.82 -0.17 -1.28 0.09 0.00 0.00 178.44 177.74 3bg5 h SER 835 N 0.70 -0.52 -0.81 -0.43 0.87 0.93 -1.26 113.55 113.03 3bg5 h SER 835 Ca 0.16 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 3bg5 h SER 835 Cb 0.36 0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.46 3bg5 h SER 835 CO 0.00 -0.23 0.44 0.45 -0.53 0.00 0.00 176.83 176.96 3bg5 h HIS 836 N -0.26 0.79 0.71 2.24 3.86 -0.99 0.17 115.15 121.66 3bg5 h HIS 836 Ca 0.07 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3bg5 h HIS 836 Cb 0.36 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3bg5 h HIS 836 CO -0.25 0.27 -0.44 -0.92 0.86 0.00 0.00 177.93 177.45 3bg5 h TYR 837 N 0.70 -1.17 -0.46 2.45 3.20 -0.93 -2.87 116.97 117.88 3bg5 h TYR 837 Ca 0.41 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 3bg5 h TYR 837 Cb 0.46 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.12 3bg5 h TYR 837 CO -0.08 -0.66 0.26 -1.49 -1.64 0.00 0.00 178.16 174.55 3bg5 h TRP 838 N -1.09 0.61 -0.64 -3.82 4.06 -0.74 -1.49 115.95 112.85 3bg5 h TRP 838 Ca -0.09 0.00 0.13 0.00 2.06 0.00 0.00 58.89 60.99 3bg5 h TRP 838 Cb 0.88 -0.20 -0.12 0.00 -1.00 0.00 0.00 29.16 28.72 3bg5 h TRP 838 CO -0.11 0.42 -0.08 1.03 -3.56 0.00 0.00 178.44 176.14 3bg5 h SER 839 N 0.64 -0.45 -0.10 -3.49 0.87 -0.55 0.61 113.55 111.08 3bg5 h SER 839 Ca 0.17 0.18 -0.16 0.00 -1.23 0.00 0.00 61.79 60.74 3bg5 h SER 839 Cb 0.00 0.34 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3bg5 h SER 839 CO -0.03 -0.17 -0.57 0.74 -0.53 0.00 0.00 176.83 176.27 3bg5 h THR 840 N 0.05 1.36 -0.30 2.23 2.02 -1.11 -3.27 112.91 113.88 3bg5 h THR 840 Ca 0.32 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 3bg5 h THR 840 Cb 0.52 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 3bg5 h THR 840 CO -0.61 0.57 0.01 0.58 0.37 0.00 0.00 175.52 176.44 3bg5 h VAL 841 N 0.17 1.18 -0.55 3.16 2.07 -0.74 -2.54 116.25 119.00 3bg5 h VAL 841 Ca -0.04 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3bg5 h VAL 841 Cb 1.21 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3bg5 h VAL 841 CO 0.12 0.23 0.26 -0.09 0.02 0.00 0.00 177.57 178.11 3bg5 h ARG 842 N 0.44 0.77 -0.66 1.57 2.43 0.16 -1.94 114.38 117.14 3bg5 h ARG 842 Ca 0.10 -0.09 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 3bg5 h ARG 842 Cb 0.28 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3bg5 h ARG 842 CO 0.01 0.60 0.45 1.15 -1.51 0.00 0.00 179.97 180.67 3bg5 h THR 843 N 0.77 0.81 0.00 0.20 2.02 -1.53 0.58 112.91 115.75 3bg5 h THR 843 Ca 0.19 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3bg5 h THR 843 Cb 0.09 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3bg5 h THR 843 CO -0.02 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 3bg5 n TYR 844 N -4.45 0.67 -0.46 3.16 0.53 -0.73 -2.72 117.16 113.16 3bg5 n TYR 844 Ca 0.12 0.34 0.05 0.00 -1.02 0.00 0.00 57.90 57.39 3bg5 n TYR 844 Cb 0.51 -1.05 0.09 0.00 -1.03 0.00 0.00 39.34 37.85 3bg5 n TYR 844 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3bg5 n TYR 845 N -2.19 0.13 -0.32 -0.72 4.02 0.19 -4.79 117.16 113.48 3bg5 n TYR 845 Ca -0.01 -0.70 0.20 0.00 -0.01 0.00 0.00 57.90 57.39 3bg5 n TYR 845 Cb 0.05 -0.10 0.47 0.00 -0.02 0.00 0.00 39.34 39.73 3bg5 n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3bg5 h SER 846 N 0.37 0.51 0.00 7.72 4.64 -1.55 0.92 113.55 126.17 3bg5 h SER 846 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3bg5 h SER 846 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3bg5 h SER 846 CO 0.02 0.12 0.20 0.44 -0.87 0.00 0.00 176.83 176.74 3bg5 h ASP 847 N 0.47 0.00 -0.11 4.97 3.32 -1.87 -2.23 116.42 120.96 3bg5 h ASP 847 Ca 0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.64 3bg5 h ASP 847 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3bg5 h ASP 847 CO -0.32 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.69 3bg5 n PHE 848 N -2.37 0.14 -1.61 4.55 3.01 0.32 -4.96 117.46 116.55 3bg5 n PHE 848 Ca -0.01 -0.43 -0.35 0.00 1.01 0.00 0.00 57.45 57.66 3bg5 n PHE 848 Cb 0.23 -0.04 0.07 0.00 -0.01 0.00 0.00 39.48 39.74 3bg5 n PHE 848 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3bg5 s GLU 849 N -0.91 2.40 0.64 -1.08 0.41 -0.84 -3.79 118.70 115.53 3bg5 s GLU 849 Ca 0.08 1.77 -0.09 0.00 -0.41 0.00 0.00 54.97 56.32 3bg5 s GLU 849 Cb 0.04 -1.86 -0.00 0.00 -1.78 0.00 0.00 34.13 30.53 3bg5 s GLU 849 CO 0.06 -1.64 1.01 0.45 -0.49 0.00 0.00 175.26 174.64 3bg5 s SER 852 N -1.92 5.68 0.00 -0.19 0.15 -1.14 -4.98 113.70 111.30 3bg5 s SER 852 Ca 0.75 1.05 0.26 0.00 0.70 0.00 0.00 55.95 58.71 3bg5 s SER 852 Cb -0.30 -1.98 0.77 0.00 -1.71 0.00 0.00 66.02 62.80 3bg5 s SER 852 CO 0.42 -1.12 1.58 -0.67 1.20 0.00 0.00 173.24 174.64 3bg5 n ASP 853 N -2.79 1.09 -4.65 5.45 2.03 -1.26 -4.85 116.55 111.58 3bg5 n ASP 853 Ca 0.06 -0.96 -0.42 0.00 0.52 0.00 0.00 54.79 53.98 3bg5 n ASP 853 Cb 0.57 0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 3bg5 n ASP 853 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3bg5 s ILE 854 N -2.45 3.48 -0.17 5.18 1.09 -1.26 -4.84 121.20 122.23 3bg5 s ILE 854 Ca 0.26 0.57 0.06 0.00 -1.10 0.00 0.00 60.65 60.43 3bg5 s ILE 854 Cb 0.19 -3.42 -0.08 0.00 -1.06 0.00 0.00 42.46 38.10 3bg5 s ILE 854 CO 0.50 -0.11 0.20 0.29 -0.10 0.00 0.00 174.94 175.72 3bg5 n LYS 855 N 7.47 3.14 -4.09 2.79 5.02 -1.26 -5.02 118.16 126.21 3bg5 n LYS 855 Ca 0.19 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 3bg5 n LYS 855 Cb 0.43 -0.92 -0.11 0.00 -0.02 0.00 0.00 35.03 34.42 3bg5 n LYS 855 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3bg5 s SER 856 N -2.00 0.75 0.56 4.39 0.01 -1.26 -5.10 113.70 111.04 3bg5 s SER 856 Ca 0.00 -0.79 -0.21 0.00 1.31 0.00 0.00 55.95 56.26 3bg5 s SER 856 Cb 0.04 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 3bg5 s SER 856 CO 0.25 -0.40 1.36 -2.16 0.41 0.00 0.00 173.24 172.69 3bg5 s PRO 857 N -2.84 3.07 -0.05 12.44 0.04 -1.26 -4.97 135.00 141.44 3bg5 s PRO 857 Ca -0.00 2.23 0.01 0.00 0.04 0.00 0.00 61.00 63.28 3bg5 s PRO 857 Cb -0.01 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.34 3bg5 s PRO 857 CO -0.04 -1.24 -0.04 1.21 0.04 0.00 0.00 177.00 176.93 3bg5 s ASN 858 N -0.98 0.97 0.00 6.66 3.04 -0.44 -4.97 114.94 119.22 3bg5 s ASN 858 Ca 0.73 -0.13 0.16 0.00 0.04 0.00 0.00 52.86 53.66 3bg5 s ASN 858 Cb -0.41 -0.45 0.28 0.00 -1.54 0.00 0.00 41.25 39.14 3bg5 s ASN 858 CO 0.47 -0.06 1.19 0.35 -3.04 0.00 0.00 177.10 176.02 3bg5 n THR 859 N 4.09 0.46 -0.09 -5.21 -2.24 -1.26 -4.13 114.28 105.91 3bg5 n THR 859 Ca -0.24 -0.73 0.05 0.00 -2.27 0.00 0.00 64.05 60.86 3bg5 n THR 859 Cb 0.51 0.96 0.40 0.00 -2.10 0.00 0.00 70.33 70.09 3bg5 n THR 859 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3bg5 h GLU 860 N 3.16 0.62 -1.23 -0.78 4.39 -1.97 -2.93 114.58 115.84 3bg5 h GLU 860 Ca 0.00 -0.04 0.39 0.00 0.34 0.00 0.00 59.36 60.05 3bg5 h GLU 860 Cb 0.76 -0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.15 3bg5 h GLU 860 CO 0.00 0.41 0.79 -0.84 -1.16 0.00 0.00 179.01 178.21 3bg5 h ILE 861 N 0.64 0.22 0.00 3.13 3.07 -1.95 0.83 117.51 123.45 3bg5 h ILE 861 Ca 0.23 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.58 3bg5 h ILE 861 Cb 0.11 0.04 0.00 0.00 -0.27 0.00 0.00 36.82 36.70 3bg5 h ILE 861 CO -0.06 0.03 0.00 1.88 -1.05 0.00 0.00 178.15 178.95 3bg5 h TYR 862 N 0.16 0.00 0.00 0.16 0.99 -1.84 0.13 116.97 116.58 3bg5 h TYR 862 Ca 0.76 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 61.30 3bg5 h TYR 862 Cb 2.27 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 39.98 3bg5 h TYR 862 CO -0.01 0.00 -1.45 1.04 -0.00 0.00 0.00 178.16 177.74 3bg5 n GLN 863 N -2.52 0.54 0.03 4.88 1.13 0.28 -4.80 117.38 116.93 3bg5 n GLN 863 Ca 0.01 0.35 -0.02 0.00 -1.94 0.00 0.00 57.00 55.39 3bg5 n GLN 863 Cb 0.19 -1.55 -0.09 0.00 0.11 0.00 0.00 30.24 28.91 3bg5 n GLN 863 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 3bg5 h HIS 864 N -1.00 0.00 -1.26 1.08 2.07 -1.32 -3.47 115.15 111.25 3bg5 h HIS 864 Ca -0.29 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.01 3bg5 h HIS 864 Cb 1.16 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.11 3bg5 h HIS 864 CO -0.19 0.68 -0.26 0.39 -3.07 0.00 0.00 177.93 175.48 3bg5 n GLU 865 N -2.98 -0.85 -2.29 5.12 1.02 0.45 -4.59 120.64 116.52 3bg5 n GLU 865 Ca -0.10 0.65 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 3bg5 n GLU 865 Cb 0.88 -4.72 -0.02 0.00 -0.02 0.00 0.00 31.44 27.55 3bg5 n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3bg5 s MET 866 N -4.05 4.18 0.33 3.49 -1.94 -1.26 -4.89 119.30 115.15 3bg5 s MET 866 Ca 0.00 1.79 -0.29 0.00 -1.71 0.00 0.00 55.69 55.48 3bg5 s MET 866 Cb 0.00 -3.85 -0.10 0.00 2.01 0.00 0.00 34.83 32.89 3bg5 s MET 866 CO 0.00 -0.80 1.29 -1.25 -0.01 0.00 0.00 175.02 174.25 3bg5 s PRO 867 N 3.75 4.37 1.16 2.03 0.04 -1.26 -4.65 135.00 140.43 3bg5 s PRO 867 Ca 0.61 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3bg5 s PRO 867 Cb -0.25 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3bg5 s PRO 867 CO 0.20 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3bg5 n GLY 868 N 0.82 2.71 1.54 0.56 0.00 -1.02 -1.65 105.19 108.16 3bg5 n GLY 868 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3bg5 n GLY 868 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 869 N 0.00 3.09 0.17 -0.02 0.00 -1.26 -4.38 105.19 102.79 3bg5 n GLY 869 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.55 3bg5 n GLY 869 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3bg5 h GLN 870 N 0.55 0.00 0.00 1.61 4.15 -1.58 -2.53 115.11 117.31 3bg5 h GLN 870 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 3bg5 h GLN 870 Cb 1.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.52 3bg5 h GLN 870 CO 0.50 0.46 0.00 2.48 -1.93 0.00 0.00 178.83 180.34 3bg5 n TYR 871 N -3.63 0.00 -0.09 3.99 0.18 -1.26 -1.58 117.16 114.76 3bg5 n TYR 871 Ca -0.01 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.58 3bg5 n TYR 871 Cb 0.55 -0.39 -0.12 0.00 -0.38 0.00 0.00 39.34 39.01 3bg5 n TYR 871 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3bg5 h SER 872 N 0.00 0.00 0.01 9.48 0.87 -1.80 -3.16 113.55 118.94 3bg5 h SER 872 Ca 0.00 -0.65 0.03 0.00 -1.23 0.00 0.00 61.79 59.94 3bg5 h SER 872 Cb 0.26 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 3bg5 h SER 872 CO 0.00 1.33 -0.23 0.78 -0.53 0.00 0.00 176.83 178.17 3bg5 h ASN 873 N -1.00 -0.68 -0.27 6.23 2.35 -1.35 -0.66 115.58 120.20 3bg5 h ASN 873 Ca -0.24 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3bg5 h ASN 873 Cb 1.19 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.83 3bg5 h ASN 873 CO -0.14 -0.30 0.13 -0.07 -1.65 0.00 0.00 177.43 175.39 3bg5 h LEU 874 N -0.37 0.40 -0.60 1.61 4.07 -1.50 0.97 115.31 119.89 3bg5 h LEU 874 Ca 0.06 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 3bg5 h LEU 874 Cb 0.45 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 3bg5 h LEU 874 CO -0.20 0.36 -0.02 -1.28 -1.08 0.00 0.00 178.44 176.22 3bg5 h SER 875 N 0.45 1.06 -0.50 -0.43 0.87 -1.40 0.53 113.55 114.13 3bg5 h SER 875 Ca 0.11 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.24 3bg5 h SER 875 Cb 0.09 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3bg5 h SER 875 CO -0.01 1.12 -0.16 1.56 -0.53 0.00 0.00 176.83 178.81 3bg5 h GLN 876 N 0.97 0.99 -0.18 2.24 4.20 -0.52 -2.62 115.11 120.20 3bg5 h GLN 876 Ca 0.17 -0.40 -0.16 0.00 0.06 0.00 0.00 58.65 58.32 3bg5 h GLN 876 Cb 0.59 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3bg5 h GLN 876 CO 0.03 1.07 -0.56 0.37 -0.67 0.00 0.00 178.83 179.07 3bg5 h GLN 877 N 0.85 0.55 -0.11 1.46 4.15 -0.72 -2.33 115.11 118.96 3bg5 h GLN 877 Ca 0.12 -0.36 -0.13 0.00 0.77 0.00 0.00 58.65 59.05 3bg5 h GLN 877 Cb 0.73 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3bg5 h GLN 877 CO 0.06 0.97 -0.52 0.00 -1.93 0.00 0.00 178.83 177.40 3bg5 h ALA 878 N 0.96 0.91 -0.57 3.38 0.00 -0.91 -2.55 119.26 120.48 3bg5 h ALA 878 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3bg5 h ALA 878 Cb 1.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3bg5 h ALA 878 CO 0.11 0.67 0.24 0.87 0.00 0.00 0.00 179.25 181.14 3bg5 h LYS 879 N 0.24 0.85 -0.00 0.00 1.57 -1.39 0.32 116.57 118.16 3bg5 h LYS 879 Ca 0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3bg5 h LYS 879 Cb 1.00 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3bg5 h LYS 879 CO 0.08 0.72 0.00 1.03 -0.57 0.00 0.00 179.45 180.72 3bg5 h SER 880 N 0.78 0.00 -0.38 0.86 0.87 -1.10 -1.67 113.55 112.92 3bg5 h SER 880 Ca 0.19 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 3bg5 h SER 880 Cb 0.19 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 3bg5 h SER 880 CO -0.02 0.00 0.04 0.18 -0.53 0.00 0.00 176.83 176.50 3bg5 n LEU 881 N -3.50 4.38 -1.86 2.23 4.77 -0.99 -4.97 117.00 117.06 3bg5 n LEU 881 Ca -0.03 -3.30 -0.20 0.00 -0.03 0.00 0.00 56.01 52.45 3bg5 n LEU 881 Cb 0.08 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 3bg5 n LEU 881 CO 0.24 0.88 -0.22 0.61 -1.33 0.00 0.00 177.39 177.58 3bg5 n GLY 882 N -0.67 0.85 1.32 -0.72 0.00 -0.63 -4.89 105.19 100.45 3bg5 n GLY 882 Ca 0.29 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 3bg5 n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 883 N -2.53 4.53 -0.20 0.99 4.77 0.11 -4.75 117.00 119.92 3bg5 n LEU 883 Ca -0.22 -3.72 -0.06 0.00 -0.03 0.00 0.00 56.01 51.98 3bg5 n LEU 883 Cb 0.66 -0.66 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3bg5 n LEU 883 CO 0.29 1.20 1.11 1.23 -1.33 0.00 0.00 177.39 179.89 3bg5 h GLY 884 N 1.06 0.82 2.00 -0.72 0.00 -1.83 -2.71 103.07 101.69 3bg5 h GLY 884 Ca 0.27 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3bg5 h GLY 884 CO 0.49 0.31 -0.02 0.83 0.00 0.00 0.00 176.54 178.15 3bg5 h GLU 885 N 0.78 0.00 -0.71 4.80 3.07 -1.94 -3.31 114.58 117.28 3bg5 h GLU 885 Ca 0.21 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.67 3bg5 h GLU 885 Cb -0.08 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 27.60 3bg5 h GLU 885 CO -0.04 0.02 0.26 0.54 -1.40 0.00 0.00 179.01 178.38 3bg5 n ARG 886 N -3.11 2.24 0.10 2.33 1.74 -1.03 -4.67 116.66 114.27 3bg5 n ARG 886 Ca 0.02 -3.22 -0.04 0.00 -0.77 0.00 0.00 57.85 53.84 3bg5 n ARG 886 Cb 0.42 -2.05 0.11 0.00 -1.02 0.00 0.00 32.46 29.92 3bg5 n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3bg5 h PHE 887 N 1.23 0.20 0.00 -1.55 3.57 -1.64 -2.19 116.94 116.57 3bg5 h PHE 887 Ca 0.44 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3bg5 h PHE 887 Cb 1.97 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.67 3bg5 h PHE 887 CO 1.29 0.76 0.00 -0.40 -2.23 0.00 0.00 178.31 177.73 3bg5 n ASP 888 N -3.81 0.00 -0.04 0.41 5.75 -1.26 -0.61 116.55 116.99 3bg5 n ASP 888 Ca -0.02 0.14 0.03 0.00 -0.01 0.00 0.00 54.79 54.94 3bg5 n ASP 888 Cb 0.65 -0.23 -0.15 0.00 -1.03 0.00 0.00 41.12 40.36 3bg5 n ASP 888 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bg5 n GLU 889 N -1.23 0.76 -0.02 0.11 1.02 -0.84 -3.80 120.64 116.65 3bg5 n GLU 889 Ca 0.03 -0.12 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 3bg5 n GLU 889 Cb 0.04 -1.45 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 3bg5 n GLU 889 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3bg5 h VAL 890 N 0.00 1.30 -1.00 2.62 2.07 -0.72 -1.61 116.25 118.91 3bg5 h VAL 890 Ca -0.16 -1.97 0.07 0.00 0.82 0.00 0.00 66.70 65.45 3bg5 h VAL 890 Cb 1.29 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 33.09 3bg5 h VAL 890 CO 0.01 0.61 0.65 0.11 0.02 0.00 0.00 177.57 178.97 3bg5 h LYS 891 N 0.40 1.14 -0.06 1.57 1.57 -1.38 -0.88 116.57 118.93 3bg5 h LYS 891 Ca -0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3bg5 h LYS 891 Cb 1.38 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3bg5 h LYS 891 CO 0.15 0.75 -0.05 0.22 -0.57 0.00 0.00 179.45 179.96 3bg5 h ASP 892 N 1.17 0.15 -0.53 0.86 3.58 -1.64 -2.89 116.42 117.13 3bg5 h ASP 892 Ca 0.43 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 3bg5 h ASP 892 Cb 0.17 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 3bg5 h ASP 892 CO -0.17 0.58 0.24 -0.03 -2.88 0.00 0.00 179.24 176.98 3bg5 h MET 893 N -0.29 0.77 -0.43 0.28 4.05 -1.19 -1.74 114.93 116.38 3bg5 h MET 893 Ca 0.01 -0.12 0.09 0.00 -0.28 0.00 0.00 59.70 59.40 3bg5 h MET 893 Cb 0.53 -0.13 -0.08 0.00 -0.80 0.00 0.00 31.60 31.12 3bg5 h MET 893 CO 0.01 0.64 -0.11 -0.92 0.23 0.00 0.00 176.91 176.76 3bg5 h TYR 894 N 0.70 -0.24 -0.74 1.39 3.20 -1.21 0.80 116.97 120.87 3bg5 h TYR 894 Ca 0.18 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3bg5 h TYR 894 Cb 0.14 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3bg5 h TYR 894 CO -0.00 -0.19 0.49 -0.09 -1.64 0.00 0.00 178.16 176.73 3bg5 h ARG 895 N -0.01 0.97 -0.06 1.82 2.43 -1.31 -1.98 114.38 116.24 3bg5 h ARG 895 Ca 0.21 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.11 3bg5 h ARG 895 Cb 0.32 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3bg5 h ARG 895 CO -0.45 0.64 -0.78 0.00 -1.51 0.00 0.00 179.97 177.87 3bg5 h ARG 896 N 0.99 0.64 -1.00 0.20 3.08 -0.30 -3.24 114.38 114.76 3bg5 h ARG 896 Ca 0.27 -0.61 0.03 0.00 0.07 0.00 0.00 59.98 59.75 3bg5 h ARG 896 Cb -0.11 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 3bg5 h ARG 896 CO -0.06 1.21 0.65 0.28 -1.07 0.00 0.00 179.97 180.99 3bg5 h VAL 897 N 0.29 1.19 -0.86 2.04 2.07 0.81 -0.19 116.25 121.59 3bg5 h VAL 897 Ca -0.08 -0.44 0.12 0.00 0.82 0.00 0.00 66.70 67.12 3bg5 h VAL 897 Cb 1.44 -0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 3bg5 h VAL 897 CO 0.16 0.23 0.48 -1.13 0.02 0.00 0.00 177.57 177.33 3bg5 h ASN 898 N 1.28 0.65 1.11 0.57 -0.73 -1.41 -0.18 115.58 116.86 3bg5 h ASN 898 Ca 0.39 0.07 -0.12 0.00 1.87 0.00 0.00 56.30 58.51 3bg5 h ASN 898 Cb -0.03 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 3bg5 h ASN 898 CO -0.12 0.33 -0.55 -0.26 -0.37 0.00 0.00 177.43 176.46 3bg5 h PHE 899 N 0.75 0.00 -0.04 0.67 -1.00 -1.28 0.12 116.94 116.16 3bg5 h PHE 899 Ca 0.44 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.14 3bg5 h PHE 899 Cb 0.51 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 3bg5 h PHE 899 CO -0.06 0.55 -0.37 1.25 -1.61 0.00 0.00 178.31 178.07 3bg5 h LEU 900 N 0.00 0.08 -1.37 1.54 5.85 0.08 -2.57 115.31 118.92 3bg5 h LEU 900 Ca -0.01 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3bg5 h LEU 900 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3bg5 h LEU 900 CO 0.07 0.45 0.00 0.49 -0.34 0.00 0.00 178.44 179.11 3bg5 n PHE 901 N -4.08 0.42 -2.18 1.25 3.72 -0.19 -4.87 117.46 111.53 3bg5 n PHE 901 Ca -0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3bg5 n PHE 901 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3bg5 n PHE 901 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bg5 n GLY 902 N 1.14 0.68 2.66 1.37 0.00 -0.97 -4.64 105.19 105.43 3bg5 n GLY 902 Ca 0.14 -0.77 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 3bg5 n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bg5 n ASP 903 N 1.71 -7.72 -4.54 1.61 4.64 0.41 -4.66 116.55 108.00 3bg5 n ASP 903 Ca 0.00 1.34 -0.24 0.00 -1.38 0.00 0.00 54.79 54.50 3bg5 n ASP 903 Cb 0.49 -5.13 -0.09 0.00 -1.04 0.00 0.00 41.12 35.35 3bg5 n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3bg5 s ILE 904 N -1.59 2.87 0.12 5.18 -4.36 -1.26 -4.85 121.20 117.32 3bg5 s ILE 904 Ca 0.01 -2.13 -0.31 0.00 -0.26 0.00 0.00 60.65 57.95 3bg5 s ILE 904 Cb -0.00 -2.50 -0.08 0.00 1.25 0.00 0.00 42.46 41.13 3bg5 s ILE 904 CO 0.74 -0.34 1.39 -0.69 0.24 0.00 0.00 174.94 176.28 3bg5 s VAL 905 N -2.30 3.29 -0.56 8.37 1.01 -1.26 -4.99 120.40 123.96 3bg5 s VAL 905 Ca 0.29 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 3bg5 s VAL 905 Cb -0.06 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.87 3bg5 s VAL 905 CO 0.16 0.08 0.36 -0.54 0.00 0.00 0.00 175.10 175.16 3bg5 s LYS 906 N 1.02 2.37 0.24 2.72 1.02 -1.26 -4.67 119.74 121.17 3bg5 s LYS 906 Ca 0.64 -2.32 0.01 0.00 0.02 0.00 0.00 55.97 54.32 3bg5 s LYS 906 Cb -0.37 -3.67 -0.00 0.00 -0.52 0.00 0.00 37.83 33.27 3bg5 s LYS 906 CO 0.31 -1.14 0.05 0.28 -0.92 0.00 0.00 175.35 173.92 3bg5 n VAL 907 N 3.80 0.00 -2.04 3.17 0.31 -1.26 -4.45 118.33 117.86 3bg5 n VAL 907 Ca 0.05 -1.28 -0.42 0.00 -0.01 0.00 0.00 64.34 62.68 3bg5 n VAL 907 Cb 0.39 0.37 -0.03 0.00 -0.91 0.00 0.00 33.84 33.66 3bg5 n VAL 907 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3bg5 s THR 908 N -2.20 2.87 -0.91 2.52 -4.23 -1.26 0.52 115.64 112.95 3bg5 s THR 908 Ca 0.07 0.65 0.17 0.00 -1.18 0.00 0.00 61.69 61.40 3bg5 s THR 908 Cb 0.00 -3.42 0.67 0.00 1.34 0.00 0.00 72.50 71.09 3bg5 s THR 908 CO 0.05 0.07 1.58 -0.81 -0.54 0.00 0.00 174.62 174.96 3bg5 n PRO 909 N 3.47 3.66 0.30 3.99 -0.04 -1.26 -4.63 135.00 140.49 3bg5 n PRO 909 Ca 0.11 -2.83 0.20 0.00 -0.04 0.00 0.00 63.50 60.94 3bg5 n PRO 909 Cb 0.40 -1.86 0.98 0.00 -0.04 0.00 0.00 33.50 32.99 3bg5 n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bg5 h SER 910 N 3.58 0.00 0.10 3.54 4.64 -0.22 -2.81 113.55 122.37 3bg5 h SER 910 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3bg5 h SER 910 Cb 1.43 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.55 3bg5 h SER 910 CO 0.23 0.00 -1.19 0.77 -0.87 0.00 0.00 176.83 175.77 3bg5 h SER 911 N 0.00 0.87 -0.93 4.97 4.64 -0.45 -3.18 113.55 119.47 3bg5 h SER 911 Ca 0.00 -0.81 0.03 0.00 -0.47 0.00 0.00 61.79 60.54 3bg5 h SER 911 Cb 0.18 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 3bg5 h SER 911 CO 0.00 1.59 0.61 0.50 -0.87 0.00 0.00 176.83 178.66 3bg5 h LYS 912 N 0.27 1.14 -0.76 4.77 3.64 -1.74 -1.77 116.57 122.11 3bg5 h LYS 912 Ca -0.18 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3bg5 h LYS 912 Cb 1.86 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 33.38 3bg5 h LYS 912 CO 0.23 0.75 0.47 0.28 -2.27 0.00 0.00 179.45 178.91 3bg5 h VAL 913 N 1.17 1.08 -0.16 2.00 2.07 -1.56 -0.78 116.25 120.07 3bg5 h VAL 913 Ca 0.37 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 3bg5 h VAL 913 Cb 0.01 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3bg5 h VAL 913 CO -0.11 0.16 -0.24 0.58 0.02 0.00 0.00 177.57 177.98 3bg5 h VAL 914 N 0.90 1.35 -0.51 2.57 2.07 -1.47 -3.09 116.25 118.08 3bg5 h VAL 914 Ca 0.31 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.42 3bg5 h VAL 914 Cb 0.06 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 3bg5 h VAL 914 CO -0.13 0.44 0.25 1.23 0.02 0.00 0.00 177.57 179.38 3bg5 h GLY 915 N 0.08 0.71 0.96 2.17 0.00 -1.06 0.16 103.07 106.09 3bg5 h GLY 915 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.18 3bg5 h GLY 915 CO 0.06 0.11 0.13 -0.55 0.00 0.00 0.00 176.54 176.29 3bg5 h ASP 916 N 0.49 0.22 -0.63 0.19 3.45 -1.23 -0.44 116.42 118.47 3bg5 h ASP 916 Ca 0.23 -0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.65 3bg5 h ASP 916 Cb 0.14 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 3bg5 h ASP 916 CO -0.16 0.16 0.28 0.24 -1.57 0.00 0.00 179.24 178.20 3bg5 h MET 917 N 0.28 0.96 -0.41 3.56 2.86 -1.37 -0.20 114.93 120.61 3bg5 h MET 917 Ca 0.09 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3bg5 h MET 917 Cb -0.01 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3bg5 h MET 917 CO -0.04 0.77 0.17 0.00 1.06 0.00 0.00 176.91 178.87 3bg5 h ALA 918 N 1.36 0.54 -0.35 6.32 0.00 -0.13 0.25 119.26 127.25 3bg5 h ALA 918 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3bg5 h ALA 918 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3bg5 h ALA 918 CO -0.02 0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 179.09 3bg5 h LEU 919 N 0.52 0.66 -0.13 0.00 4.07 -0.97 -3.11 115.31 116.35 3bg5 h LEU 919 Ca 0.14 -0.22 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 3bg5 h LEU 919 Cb 0.18 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3bg5 h LEU 919 CO -0.01 0.85 -0.12 0.22 -1.08 0.00 0.00 178.44 178.30 3bg5 h TYR 920 N 0.58 0.36 -0.04 1.13 3.20 -0.38 -1.36 116.97 120.47 3bg5 h TYR 920 Ca 0.09 -0.11 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3bg5 h TYR 920 Cb 0.66 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3bg5 h TYR 920 CO 0.03 0.70 -0.58 0.52 -1.64 0.00 0.00 178.16 177.19 3bg5 h MET 921 N -0.08 0.11 -0.02 1.82 2.86 -0.62 -1.46 114.93 117.54 3bg5 h MET 921 Ca 0.02 -0.08 -0.21 0.00 -2.06 0.00 0.00 59.70 57.38 3bg5 h MET 921 Cb 0.64 0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.32 3bg5 h MET 921 CO 0.03 0.67 -0.80 0.28 1.06 0.00 0.00 176.91 178.14 3bg5 h VAL 922 N 0.09 1.34 -0.08 -2.22 2.07 -1.58 0.86 116.25 116.73 3bg5 h VAL 922 Ca -0.00 -2.12 -0.07 0.00 0.82 0.00 0.00 66.70 65.32 3bg5 h VAL 922 Cb 1.05 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 3bg5 h VAL 922 CO 0.08 0.64 -0.29 -0.61 0.02 0.00 0.00 177.57 177.41 3bg5 h GLN 923 N 0.19 0.15 -0.25 1.57 4.15 -1.18 -2.74 115.11 117.00 3bg5 h GLN 923 Ca -0.09 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.28 3bg5 h GLN 923 Cb 1.48 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.15 3bg5 h GLN 923 CO 0.16 0.43 0.00 0.09 -1.93 0.00 0.00 178.83 177.58 3bg5 n ASN 924 N -4.15 3.59 -4.04 -0.69 4.13 -0.56 -5.02 115.26 108.53 3bg5 n ASN 924 Ca -0.01 -2.85 -0.34 0.00 1.68 0.00 0.00 54.58 53.06 3bg5 n ASN 924 Cb 0.37 -0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 38.11 3bg5 n ASN 924 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3bg5 n ASP 925 N -0.42 -1.82 -4.92 6.41 9.92 0.25 -4.96 116.55 121.01 3bg5 n ASP 925 Ca 0.19 -1.16 -0.30 0.00 -0.53 0.00 0.00 54.79 52.99 3bg5 n ASP 925 Cb 0.79 -2.34 -0.04 0.00 -0.64 0.00 0.00 41.12 38.90 3bg5 n ASP 925 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3bg5 s LEU 926 N -7.13 4.30 0.55 0.64 2.01 0.27 -5.00 118.68 114.32 3bg5 s LEU 926 Ca 0.21 0.37 0.08 0.00 0.01 0.00 0.00 54.13 54.81 3bg5 s LEU 926 Cb -0.10 -3.10 0.06 0.00 0.01 0.00 0.00 46.19 43.07 3bg5 s LEU 926 CO 0.94 0.07 0.66 -1.81 1.01 0.00 0.00 176.35 177.22 3bg5 s ASP 927 N -2.74 5.03 0.53 2.29 1.11 -1.26 -4.76 116.67 116.87 3bg5 s ASP 927 Ca 0.37 -0.91 0.29 0.00 0.18 0.00 0.00 52.55 52.48 3bg5 s ASP 927 Cb -0.12 0.22 1.45 0.00 1.07 0.00 0.00 42.92 45.53 3bg5 s ASP 927 CO 0.27 -1.21 2.06 -0.33 1.18 0.00 0.00 175.17 177.14 3bg5 h GLU 928 N 0.39 0.00 0.18 8.23 3.07 -2.00 -3.02 114.58 121.43 3bg5 h GLU 928 Ca -0.33 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.21 3bg5 h GLU 928 Cb 1.29 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.21 3bg5 h GLU 928 CO 0.46 0.11 -1.56 1.96 -1.40 0.00 0.00 179.01 178.58 3bg5 h GLN 929 N 0.00 0.38 -0.61 2.33 7.50 -2.01 -3.37 115.11 119.34 3bg5 h GLN 929 Ca -0.00 -0.65 0.02 0.00 0.50 0.00 0.00 58.65 58.52 3bg5 h GLN 929 Cb 0.38 0.24 -0.04 0.00 0.05 0.00 0.00 27.48 28.11 3bg5 h GLN 929 CO 0.01 1.31 0.38 0.77 -1.50 0.00 0.00 178.83 179.80 3bg5 h SER 930 N -0.02 0.62 -0.36 1.46 0.02 -1.89 -2.46 113.55 110.92 3bg5 h SER 930 Ca -0.31 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 3bg5 h SER 930 Cb 2.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 3bg5 h SER 930 CO 0.17 0.43 0.11 -0.37 -1.14 0.00 0.00 176.83 176.03 3bg5 h VAL 931 N 0.75 1.21 0.00 2.27 -1.51 -1.72 -2.74 116.25 114.50 3bg5 h VAL 931 Ca 0.24 -0.68 -0.07 0.00 -1.23 0.00 0.00 66.70 64.96 3bg5 h VAL 931 Cb 0.01 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 3bg5 h VAL 931 CO -0.09 0.24 -0.31 0.16 -1.23 0.00 0.00 177.57 176.33 3bg5 h ILE 932 N 0.43 0.66 0.03 7.19 3.07 -1.70 -2.39 117.51 124.81 3bg5 h ILE 932 Ca 0.12 -1.47 -0.26 0.00 1.55 0.00 0.00 64.86 64.79 3bg5 h ILE 932 Cb 0.25 1.98 -0.03 0.00 -0.27 0.00 0.00 36.82 38.75 3bg5 h ILE 932 CO -0.00 0.31 -1.36 0.74 -1.05 0.00 0.00 178.15 176.78 3bg5 h THR 933 N 0.00 1.30 -0.76 0.16 2.02 -1.34 -3.40 112.91 110.89 3bg5 h THR 933 Ca -0.00 -3.04 -0.31 0.00 0.77 0.00 0.00 66.41 63.83 3bg5 h THR 933 Cb 0.96 2.69 -0.38 0.00 -1.74 0.00 0.00 68.15 69.67 3bg5 h THR 933 CO 0.04 0.78 -1.11 -0.90 0.37 0.00 0.00 175.52 174.70 3bg5 n ASP 934 N -3.28 1.24 0.11 4.18 5.75 -1.04 -4.94 116.55 118.57 3bg5 n ASP 934 Ca -0.10 -2.48 -0.02 0.00 -0.01 0.00 0.00 54.79 52.19 3bg5 n ASP 934 Cb 1.00 -0.41 0.04 0.00 -1.03 0.00 0.00 41.12 40.72 3bg5 n ASP 934 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3bg5 h GLY 935 N 2.79 0.00 2.00 6.12 0.00 -1.64 -3.30 103.07 109.04 3bg5 h GLY 935 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3bg5 h GLY 935 CO 0.36 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.93 3bg5 h TYR 936 N 0.00 0.00 -0.01 5.60 -1.99 -1.87 -1.54 116.97 117.15 3bg5 h TYR 936 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3bg5 h TYR 936 Cb 1.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.14 3bg5 h TYR 936 CO 0.00 0.00 -0.17 0.36 -0.00 0.00 0.00 178.16 178.35 3bg5 n LYS 937 N -2.87 1.49 0.03 4.88 2.85 -1.24 -4.76 118.16 118.54 3bg5 n LYS 937 Ca -0.02 -0.99 -0.19 0.00 -1.05 0.00 0.00 58.31 56.06 3bg5 n LYS 937 Cb 0.10 -1.23 -0.09 0.00 -0.65 0.00 0.00 35.03 33.16 3bg5 n LYS 937 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3bg5 h LEU 938 N 2.05 0.91 -2.15 -5.58 3.38 -1.37 -3.49 115.31 109.06 3bg5 h LEU 938 Ca 0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.27 3bg5 h LEU 938 Cb 0.52 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3bg5 h LEU 938 CO 0.00 1.50 -1.15 -0.67 0.09 0.00 0.00 178.44 178.21 3bg5 n ASP 939 N -3.87 -4.98 -4.89 -0.43 4.64 -1.26 -5.01 116.55 100.76 3bg5 n ASP 939 Ca -0.10 1.32 -0.29 0.00 -1.38 0.00 0.00 54.79 54.34 3bg5 n ASP 939 Cb 0.85 -5.06 -0.02 0.00 -1.04 0.00 0.00 41.12 35.86 3bg5 n ASP 939 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3bg5 s PHE 940 N -1.20 3.52 0.47 -0.67 0.40 -1.26 -5.04 117.98 114.19 3bg5 s PHE 940 Ca -0.10 0.98 -0.22 0.00 -0.60 0.00 0.00 56.93 56.99 3bg5 s PHE 940 Cb 0.01 -2.42 -0.10 0.00 0.51 0.00 0.00 43.02 41.02 3bg5 s PHE 940 CO 0.74 -0.23 0.91 -2.30 0.70 0.00 0.00 175.22 175.04 3bg5 n PRO 941 N -1.83 1.11 -0.36 0.24 -0.02 -1.26 -4.86 135.00 128.03 3bg5 n PRO 941 Ca 0.02 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 3bg5 n PRO 941 Cb 0.54 -1.98 0.23 0.00 -0.02 0.00 0.00 33.50 32.27 3bg5 n PRO 941 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3bg5 h GLU 942 N 1.16 0.99 0.00 -0.52 4.39 -2.00 -2.58 114.58 116.02 3bg5 h GLU 942 Ca -0.45 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 3bg5 h GLU 942 Cb 1.35 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 3bg5 h GLU 942 CO 0.54 0.65 -0.54 0.66 -1.16 0.00 0.00 179.01 179.16 3bg5 h SER 943 N 1.02 0.00 1.01 1.42 4.64 -1.96 -1.70 113.55 117.97 3bg5 h SER 943 Ca 0.49 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.60 3bg5 h SER 943 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3bg5 h SER 943 CO -0.25 0.54 -0.98 1.62 -0.87 0.00 0.00 176.83 176.89 3bg5 h VAL 944 N 0.00 1.69 -0.03 0.95 3.04 -1.76 -1.24 116.25 118.90 3bg5 h VAL 944 Ca -0.01 -3.38 -0.18 0.00 -1.01 0.00 0.00 66.70 62.13 3bg5 h VAL 944 Cb 1.04 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 33.13 3bg5 h VAL 944 CO 0.07 0.96 -0.76 -0.37 -1.01 0.00 0.00 177.57 176.46 3bg5 h VAL 945 N 0.00 1.44 -0.37 1.51 -1.51 -1.41 -2.04 116.25 113.88 3bg5 h VAL 945 Ca -0.01 -2.33 -0.09 0.00 -1.23 0.00 0.00 66.70 63.04 3bg5 h VAL 945 Cb 1.75 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 33.16 3bg5 h VAL 945 CO 0.13 0.68 -0.11 -1.28 -1.23 0.00 0.00 177.57 175.76 3bg5 h SER 946 N 0.15 0.73 -0.32 4.19 0.87 -1.29 -0.95 113.55 116.93 3bg5 h SER 946 Ca -0.03 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.18 3bg5 h SER 946 Cb 1.34 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 3bg5 h SER 946 CO 0.12 0.94 0.17 0.15 -0.53 0.00 0.00 176.83 177.67 3bg5 h PHE 947 N 0.51 0.31 0.00 2.24 -0.00 -1.22 -2.21 116.94 116.57 3bg5 h PHE 947 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.07 3bg5 h PHE 947 Cb 0.63 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 36.49 3bg5 h PHE 947 CO 0.05 0.17 0.00 0.74 -0.00 0.00 0.00 178.31 179.27 3bg5 h PHE 948 N 0.34 0.00 0.00 0.41 -1.00 -1.22 -0.56 116.94 114.92 3bg5 h PHE 948 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 3bg5 h PHE 948 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3bg5 h PHE 948 CO -0.09 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.24 3bg5 n LYS 949 N -3.06 0.23 -1.45 1.51 5.02 -0.37 -4.83 118.16 115.21 3bg5 n LYS 949 Ca 0.02 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3bg5 n LYS 949 Cb 0.42 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 3bg5 n LYS 949 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bg5 n GLY 950 N 0.62 0.94 0.06 0.72 0.00 -0.22 -0.24 105.19 107.07 3bg5 n GLY 950 Ca 0.04 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3bg5 n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bg5 n GLU 951 N -0.73 0.28 -0.00 1.61 1.02 -0.85 -3.37 120.64 118.60 3bg5 n GLU 951 Ca 0.00 0.08 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 3bg5 n GLU 951 Cb 0.33 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 3bg5 n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3bg5 n ILE 952 N -2.08 0.47 0.00 -3.67 5.41 -1.26 -4.86 119.36 113.37 3bg5 n ILE 952 Ca 0.03 -0.59 0.00 0.00 1.00 0.00 0.00 62.75 63.19 3bg5 n ILE 952 Cb 0.44 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 3bg5 n ILE 952 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bg5 n GLY 953 N 1.34 0.92 3.45 7.39 0.00 -1.22 -4.86 105.19 112.21 3bg5 n GLY 953 Ca -0.09 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 3bg5 n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg5 s GLN 954 N -1.77 3.64 0.77 1.61 -1.52 -1.26 -4.62 119.66 116.51 3bg5 s GLN 954 Ca 0.00 -0.49 -0.12 0.00 -1.95 0.00 0.00 55.36 52.80 3bg5 s GLN 954 Cb 0.00 -3.25 0.06 0.00 -0.22 0.00 0.00 33.01 29.60 3bg5 s GLN 954 CO 0.00 -0.13 1.14 -1.25 -0.25 0.00 0.00 175.29 174.80 3bg5 s PRO 955 N 1.42 2.05 0.13 2.91 0.04 -1.26 -4.75 135.00 135.55 3bg5 s PRO 955 Ca 0.05 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.27 3bg5 s PRO 955 Cb -0.15 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 3bg5 s PRO 955 CO 0.03 -1.84 1.59 0.28 0.04 0.00 0.00 177.00 177.10 3bg5 h VAL 956 N -0.84 0.20 -0.27 -0.36 2.07 -1.89 -2.71 116.25 112.46 3bg5 h VAL 956 Ca -0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 3bg5 h VAL 956 Cb 1.26 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3bg5 h VAL 956 CO 0.49 0.00 -0.13 0.78 0.02 0.00 0.00 177.57 178.73 3bg5 h ASN 957 N -0.45 0.57 -4.99 0.57 4.21 -1.89 -3.50 115.58 110.10 3bg5 h ASN 957 Ca 0.09 -0.41 0.00 0.00 1.21 0.00 0.00 56.30 57.19 3bg5 h ASN 957 Cb 0.59 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3bg5 h ASN 957 CO -0.38 0.86 0.00 0.61 -1.29 0.00 0.00 177.43 177.22 3bg5 n GLY 958 N -0.03 0.50 3.92 2.83 0.00 -1.02 -5.10 105.19 106.29 3bg5 n GLY 958 Ca -0.04 -2.31 -0.30 0.00 0.00 0.00 0.00 46.02 43.37 3bg5 n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 959 N -0.44 3.49 -0.75 1.61 0.40 -1.26 -4.80 117.98 116.23 3bg5 s PHE 959 Ca 0.00 0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 56.41 3bg5 s PHE 959 Cb 0.00 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.69 3bg5 s PHE 959 CO 0.00 0.49 1.61 1.21 0.70 0.00 0.00 175.22 179.23 3bg5 s ASN 960 N -2.71 5.74 0.64 1.36 2.47 -1.26 -4.87 114.94 116.31 3bg5 s ASN 960 Ca 0.37 -0.33 0.43 0.00 0.42 0.00 0.00 52.86 53.75 3bg5 s ASN 960 Cb -0.12 -2.55 2.26 0.00 -1.45 0.00 0.00 41.25 39.39 3bg5 s ASN 960 CO 0.27 -2.11 2.30 0.11 -3.72 0.00 0.00 177.10 173.95 3bg5 h LYS 961 N 11.96 0.00 0.04 0.43 1.57 -1.97 0.69 116.57 129.29 3bg5 h LYS 961 Ca -0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 3bg5 h LYS 961 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.40 3bg5 h LYS 961 CO 1.27 0.00 -0.43 -0.44 -0.57 0.00 0.00 179.45 179.28 3bg5 h ASP 962 N 0.00 0.31 0.06 0.86 3.32 -2.00 -2.66 116.42 116.31 3bg5 h ASP 962 Ca 0.00 -0.85 -0.08 0.00 0.02 0.00 0.00 57.03 56.11 3bg5 h ASP 962 Cb 0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3bg5 h ASP 962 CO 0.00 1.13 -0.25 0.25 -1.72 0.00 0.00 179.24 178.65 3bg5 h LEU 963 N -0.46 0.32 -0.55 1.55 5.85 -1.40 -3.04 115.31 117.57 3bg5 h LEU 963 Ca -0.06 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 3bg5 h LEU 963 Cb 1.23 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3bg5 h LEU 963 CO 0.08 0.57 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.97 3bg5 h GLN 964 N 0.29 0.98 -0.41 1.25 4.15 0.21 -2.78 115.11 118.80 3bg5 h GLN 964 Ca 0.04 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.06 3bg5 h GLN 964 Cb 0.60 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 3bg5 h GLN 964 CO 0.04 1.07 0.23 0.00 -1.93 0.00 0.00 178.83 178.24 3bg5 h ALA 965 N 0.93 0.53 -0.10 3.38 0.00 -1.36 -1.59 119.26 121.06 3bg5 h ALA 965 Ca 0.12 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3bg5 h ALA 965 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3bg5 h ALA 965 CO 0.06 0.06 -0.48 -0.39 0.00 0.00 0.00 179.25 178.49 3bg5 h VAL 966 N 0.54 1.34 -0.06 0.00 -1.51 -1.55 -2.79 116.25 112.22 3bg5 h VAL 966 Ca 0.15 -1.70 -0.21 0.00 -1.23 0.00 0.00 66.70 63.71 3bg5 h VAL 966 Cb 0.06 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.03 3bg5 h VAL 966 CO -0.02 0.51 -0.78 0.40 -1.23 0.00 0.00 177.57 176.44 3bg5 h ILE 967 N 0.21 1.33 0.00 7.19 2.04 -1.39 -3.33 117.51 123.55 3bg5 h ILE 967 Ca 0.01 -2.06 -0.11 0.00 1.00 0.00 0.00 64.86 63.70 3bg5 h ILE 967 Cb 0.93 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.29 3bg5 h ILE 967 CO 0.08 0.63 -0.51 -0.07 0.00 0.00 0.00 178.15 178.28 3bg5 h LEU 968 N 0.27 0.00 2.16 1.44 3.38 -1.29 -3.46 115.31 117.81 3bg5 h LEU 968 Ca -0.08 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.52 3bg5 h LEU 968 Cb 1.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 3bg5 h LEU 968 CO 0.16 0.51 -0.44 0.29 0.09 0.00 0.00 178.44 179.05 3bg5 n LYS 969 N -3.74 -1.42 -1.32 1.13 4.76 -1.05 -2.68 118.16 113.84 3bg5 n LYS 969 Ca -0.01 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 3bg5 n LYS 969 Cb 0.56 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 28.33 3bg5 n LYS 969 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bg5 n GLY 970 N -0.94 0.96 3.91 0.72 0.00 -1.26 -5.09 105.19 103.50 3bg5 n GLY 970 Ca -0.21 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 3bg5 n GLY 970 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bg5 s GLN 971 N -2.95 3.55 0.13 1.61 0.74 -1.09 -5.05 119.66 116.59 3bg5 s GLN 971 Ca 0.00 -0.24 -0.31 0.00 0.05 0.00 0.00 55.36 54.86 3bg5 s GLN 971 Cb 0.00 -2.89 -0.10 0.00 1.10 0.00 0.00 33.01 31.12 3bg5 s GLN 971 CO 0.00 0.48 1.74 -1.21 -0.55 0.00 0.00 175.29 175.75 3bg5 s GLU 972 N -2.81 4.16 -0.15 1.67 0.41 -1.26 -4.98 118.70 115.73 3bg5 s GLU 972 Ca 0.39 2.51 -0.08 0.00 -0.41 0.00 0.00 54.97 57.38 3bg5 s GLU 972 Cb -0.12 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.73 3bg5 s GLU 972 CO 0.27 -0.78 0.13 0.00 -0.49 0.00 0.00 175.26 174.39 3bg5 s ALA 973 N 2.26 3.78 0.35 5.21 0.00 -1.26 -4.89 121.76 127.20 3bg5 s ALA 973 Ca 0.77 -0.67 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 3bg5 s ALA 973 Cb -0.45 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 20.54 3bg5 s ALA 973 CO 0.34 0.42 1.15 -0.51 0.00 0.00 0.00 175.76 177.16 3bg5 s LEU 974 N -0.44 4.35 -0.04 0.00 1.43 0.66 -5.00 118.68 119.65 3bg5 s LEU 974 Ca 0.12 2.33 -0.06 0.00 -1.03 0.00 0.00 54.13 55.49 3bg5 s LEU 974 Cb -0.12 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 3bg5 s LEU 974 CO 0.01 -0.44 0.34 0.74 0.23 0.00 0.00 176.35 177.24 3bg5 h THR 975 N 2.69 0.00 -0.78 5.49 2.02 -1.94 -3.45 112.91 116.94 3bg5 h THR 975 Ca -0.48 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3bg5 h THR 975 Cb 1.22 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3bg5 h THR 975 CO 0.64 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.53 3bg5 n ALA 976 N -2.49 0.00 -1.68 6.16 0.00 -1.26 -5.02 120.51 116.23 3bg5 n ALA 976 Ca -0.03 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 3bg5 n ALA 976 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 3bg5 n ALA 976 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3bg5 n ARG 977 N 0.00 2.35 0.00 0.00 0.63 -1.26 -4.84 116.66 113.54 3bg5 n ARG 977 Ca 0.00 0.85 0.01 0.00 -0.92 0.00 0.00 57.85 57.79 3bg5 n ARG 977 Cb 0.00 -2.67 0.06 0.00 0.45 0.00 0.00 32.46 30.30 3bg5 n ARG 977 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3bg5 n PRO 978 N 4.57 0.05 -0.06 -0.14 -0.02 -1.26 -2.33 135.00 135.81 3bg5 n PRO 978 Ca 0.18 0.07 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 3bg5 n PRO 978 Cb 0.31 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.14 3bg5 n PRO 978 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bg5 n GLY 979 N -0.94 -0.97 0.55 -1.23 0.00 -1.26 -4.01 105.19 97.34 3bg5 n GLY 979 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.91 3bg5 n GLY 979 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3bg5 n GLU 980 N -2.94 1.69 -0.02 1.61 0.28 -0.98 -3.21 120.64 117.07 3bg5 n GLU 980 Ca -0.25 -1.08 -0.22 0.00 -0.16 0.00 0.00 57.16 55.46 3bg5 n GLU 980 Cb 1.09 -1.23 -0.13 0.00 1.43 0.00 0.00 31.44 32.60 3bg5 n GLU 980 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3bg5 n TYR 981 N 0.38 1.16 -2.54 -1.84 4.02 -1.25 -5.00 117.16 112.09 3bg5 n TYR 981 Ca 0.10 0.29 -0.36 0.00 -0.01 0.00 0.00 57.90 57.93 3bg5 n TYR 981 Cb 0.25 -1.14 -0.04 0.00 -0.02 0.00 0.00 39.34 38.39 3bg5 n TYR 981 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3bg5 s LEU 982 N -7.22 4.08 0.38 7.72 1.43 -1.20 -5.03 118.68 118.84 3bg5 s LEU 982 Ca -0.24 2.02 -0.25 0.00 -1.03 0.00 0.00 54.13 54.62 3bg5 s LEU 982 Cb 0.07 -4.27 -0.09 0.00 0.03 0.00 0.00 46.19 41.93 3bg5 s LEU 982 CO 0.72 -0.56 1.08 -1.61 0.23 0.00 0.00 176.35 176.22 3bg5 s GLU 983 N -2.66 4.23 0.78 1.70 0.41 -1.26 -4.83 118.70 117.07 3bg5 s GLU 983 Ca 0.60 1.63 -0.16 0.00 -0.41 0.00 0.00 54.97 56.63 3bg5 s GLU 983 Cb -0.21 -2.69 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 3bg5 s GLU 983 CO 0.26 -0.11 0.37 -2.30 -0.49 0.00 0.00 175.26 172.99 3bg5 n PRO 984 N 0.20 0.14 -3.25 0.39 -0.02 -1.26 -4.67 135.00 126.52 3bg5 n PRO 984 Ca 0.04 0.08 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 3bg5 n PRO 984 Cb 0.48 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 3bg5 n PRO 984 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bg5 s VAL 985 N -2.03 5.12 -1.03 -1.45 1.01 -1.26 -5.00 120.40 115.76 3bg5 s VAL 985 Ca 0.61 0.97 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 3bg5 s VAL 985 Cb -0.31 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 3bg5 s VAL 985 CO 0.62 0.20 1.74 -0.62 0.00 0.00 0.00 175.10 177.05 3bg5 s ASP 986 N 1.05 5.82 0.55 3.32 3.68 -1.26 -4.82 116.67 125.01 3bg5 s ASP 986 Ca 0.25 -1.31 0.25 0.00 2.13 0.00 0.00 52.55 53.87 3bg5 s ASP 986 Cb -0.15 -2.57 1.56 0.00 -1.45 0.00 0.00 42.92 40.31 3bg5 s ASP 986 CO 0.10 -2.15 2.18 -0.26 0.13 0.00 0.00 175.17 175.16 3bg5 h PHE 987 N 10.08 0.00 -0.20 -5.34 -1.00 -1.99 -2.38 116.94 116.12 3bg5 h PHE 987 Ca 0.19 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.82 3bg5 h PHE 987 Cb 0.98 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.54 3bg5 h PHE 987 CO 1.27 0.04 -0.47 0.93 -1.61 0.00 0.00 178.31 178.46 3bg5 h GLU 988 N 0.00 0.67 -0.97 1.51 4.39 -1.98 0.52 114.58 118.72 3bg5 h GLU 988 Ca -0.00 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.28 3bg5 h GLU 988 Cb 0.08 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 3bg5 h GLU 988 CO 0.00 1.07 0.64 0.87 -1.16 0.00 0.00 179.01 180.44 3bg5 h LYS 989 N 0.36 1.21 -0.24 2.33 1.57 -1.86 0.21 116.57 120.16 3bg5 h LYS 989 Ca -0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3bg5 h LYS 989 Cb 1.08 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3bg5 h LYS 989 CO 0.10 0.80 -0.02 0.28 -0.57 0.00 0.00 179.45 180.05 3bg5 h VAL 990 N 1.25 1.27 -0.45 0.50 2.07 -1.34 -1.85 116.25 117.70 3bg5 h VAL 990 Ca 0.38 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 67.03 3bg5 h VAL 990 Cb -0.04 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3bg5 h VAL 990 CO -0.11 0.30 0.03 -0.09 0.02 0.00 0.00 177.57 177.72 3bg5 h ARG 991 N 0.21 0.15 0.00 1.57 9.65 0.59 -1.88 114.38 124.67 3bg5 h ARG 991 Ca 0.07 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3bg5 h ARG 991 Cb 0.45 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 3bg5 h ARG 991 CO 0.02 0.10 -0.24 0.93 2.80 0.00 0.00 179.97 183.57 3bg5 h GLU 992 N 0.15 0.00 -0.10 0.20 5.08 -0.55 -1.96 114.58 117.40 3bg5 h GLU 992 Ca 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3bg5 h GLU 992 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3bg5 h GLU 992 CO -0.34 0.24 -0.03 1.25 -1.00 0.00 0.00 179.01 179.13 3bg5 h LEU 993 N 0.00 0.20 -0.65 1.33 5.85 -0.55 -2.63 115.31 118.86 3bg5 h LEU 993 Ca -0.00 -0.39 -0.15 0.00 0.84 0.00 0.00 57.88 58.18 3bg5 h LEU 993 Cb 0.57 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3bg5 h LEU 993 CO 0.03 0.54 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.99 3bg5 h LEU 994 N -0.14 0.26 -0.25 2.25 3.38 -1.30 -2.47 115.31 117.03 3bg5 h LEU 994 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3bg5 h LEU 994 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3bg5 h LEU 994 CO 0.01 0.81 0.08 -0.33 0.09 0.00 0.00 178.44 179.09 3bg5 h GLU 995 N 0.17 0.40 -0.13 1.13 4.39 -1.41 -2.44 114.58 116.68 3bg5 h GLU 995 Ca -0.01 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 3bg5 h GLU 995 Cb 1.11 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3bg5 h GLU 995 CO 0.09 0.48 -0.33 1.49 -1.16 0.00 0.00 179.01 179.58 3bg5 h GLU 996 N 0.24 0.27 -0.03 2.33 4.22 -1.45 -3.10 114.58 117.05 3bg5 h GLU 996 Ca 0.08 -0.11 -0.16 0.00 0.08 0.00 0.00 59.36 59.26 3bg5 h GLU 996 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3bg5 h GLU 996 CO -0.00 0.57 -0.69 0.93 -2.18 0.00 0.00 179.01 177.64 3bg5 h GLU 997 N 0.23 0.16 0.00 1.92 5.08 -1.37 -3.46 114.58 117.15 3bg5 h GLU 997 Ca 0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3bg5 h GLU 997 Cb 0.70 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3bg5 h GLU 997 CO 0.05 0.79 0.00 1.04 -1.00 0.00 0.00 179.01 179.89 3bg5 n GLN 998 N -3.79 1.85 -0.04 2.33 6.02 -0.93 -5.05 117.38 117.78 3bg5 n GLN 998 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.86 3bg5 n GLN 998 Cb 0.67 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.88 3bg5 n GLN 998 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 3bg5 h GLN 999 N 0.00 0.23 0.00 -1.09 -0.00 -1.88 -3.47 115.11 108.90 3bg5 h GLN 999 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3bg5 h GLN 999 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 3bg5 h GLN 999 CO 0.00 0.31 0.00 0.41 -0.00 0.00 0.00 178.83 179.55 3bg5 n GLY 1000N -0.71 0.00 0.00 0.06 0.00 -1.26 -4.98 105.19 98.31 3bg5 n GLY 1000Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3bg5 n GLY 1000CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bg5 n PRO 1001N 0.00 0.00 -2.32 1.61 -0.05 -1.26 -5.04 135.00 127.94 3bg5 n PRO 1001Ca 0.00 0.10 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 3bg5 n PRO 1001Cb 0.00 -0.57 0.00 0.00 -0.05 0.00 0.00 33.50 32.88 3bg5 n PRO 1001CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 3bg5 n VAL 1002N -0.90-13.41 -3.22 0.52 0.31 -1.26 -5.07 118.33 95.31 3bg5 n VAL 1002Ca 0.00 3.17 -0.18 0.00 -0.01 0.00 0.00 64.34 67.32 3bg5 n VAL 1002Cb 0.00 -6.06 -0.00 0.00 -0.91 0.00 0.00 33.84 26.87 3bg5 n VAL 1002CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3bg5 s THR 1003N -0.59 3.17 0.32 2.52 -4.23 -1.26 -5.00 115.64 110.56 3bg5 s THR 1003Ca 0.00 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3bg5 s THR 1003Cb 0.00 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.87 3bg5 s THR 1003CO 0.00 -0.04 1.81 -0.33 -0.54 0.00 0.00 174.62 175.52 3bg5 h GLU 1004N 0.78 0.45 -0.83 3.99 4.39 -2.00 -2.74 114.58 118.61 3bg5 h GLU 1004Ca -0.41 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.14 3bg5 h GLU 1004Cb 1.27 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 3bg5 h GLU 1004CO 0.49 0.59 0.48 1.96 -1.16 0.00 0.00 179.01 181.37 3bg5 h GLN 1005N 0.41 1.14 -0.69 2.33 4.20 -1.97 -1.48 115.11 119.05 3bg5 h GLN 1005Ca 0.07 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3bg5 h GLN 1005Cb 0.51 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3bg5 h GLN 1005CO 0.03 0.81 0.43 -0.44 -0.67 0.00 0.00 178.83 179.00 3bg5 h ASP 1006N 1.15 0.72 -0.14 1.46 3.32 -1.88 -2.68 116.42 118.37 3bg5 h ASP 1006Ca 0.30 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 3bg5 h ASP 1006Cb -0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3bg5 h ASP 1006CO -0.05 0.50 0.01 0.40 -1.72 0.00 0.00 179.24 178.38 3bg5 h ILE 1007N 0.85 1.23 -0.00 0.35 2.04 -1.04 -1.02 117.51 119.93 3bg5 h ILE 1007Ca 0.27 -0.75 -0.16 0.00 1.00 0.00 0.00 64.86 65.22 3bg5 h ILE 1007Cb 0.01 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3bg5 h ILE 1007CO -0.10 0.22 -0.77 0.16 0.00 0.00 0.00 178.15 177.66 3bg5 h ILE 1008N -0.00 1.55 -0.38 -0.67 -0.00 -1.60 -2.18 117.51 114.22 3bg5 h ILE 1008Ca 0.04 -2.62 0.04 0.00 -0.00 0.00 0.00 64.86 62.32 3bg5 h ILE 1008Cb 0.32 2.41 -0.04 0.00 -0.00 0.00 0.00 36.82 39.52 3bg5 h ILE 1008CO 0.00 0.75 0.15 0.28 -0.00 0.00 0.00 178.15 179.33 3bg5 h SER 1009N 0.01 0.18 0.07 2.16 0.02 -1.32 0.72 113.55 115.38 3bg5 h SER 1009Ca -0.01 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3bg5 h SER 1009Cb 1.36 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3bg5 h SER 1009CO 0.10 0.14 -0.03 0.22 -1.14 0.00 0.00 176.83 176.12 3bg5 h TYR 1010N 0.31 -0.08 -0.73 3.45 3.20 -1.13 0.26 116.97 122.25 3bg5 h TYR 1010Ca 0.17 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.13 3bg5 h TYR 1010Cb 0.13 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 3bg5 h TYR 1010CO -0.13 0.04 0.38 0.28 -1.64 0.00 0.00 178.16 177.09 3bg5 h VAL 1011N -0.19 0.88 -0.27 1.81 2.07 -1.01 -0.38 116.25 119.17 3bg5 h VAL 1011Ca -0.01 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 3bg5 h VAL 1011Cb 0.16 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3bg5 h VAL 1011CO 0.02 0.12 -0.34 -0.07 0.02 0.00 0.00 177.57 177.31 3bg5 h LEU 1012N 0.65 0.76 -6.21 2.57 3.38 0.59 -3.40 115.31 113.65 3bg5 h LEU 1012Ca 0.35 -0.50 -0.58 0.00 0.09 0.00 0.00 57.88 57.24 3bg5 h LEU 1012Cb 0.34 -0.22 -0.39 0.00 0.09 0.00 0.00 40.66 40.48 3bg5 h LEU 1012CO -0.25 1.11 -0.98 -1.22 0.09 0.00 0.00 178.44 177.19 3bg5 n TYR 1013N -4.23 0.13 0.21 1.13 4.02 0.88 -4.50 117.16 114.80 3bg5 n TYR 1013Ca -0.04 -3.59 -0.15 0.00 -0.01 0.00 0.00 57.90 54.10 3bg5 n TYR 1013Cb 0.50 -0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 3bg5 n TYR 1013CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3bg5 h PRO 1014N 4.63 -0.69 0.08 -0.72 0.13 -1.30 0.10 132.00 134.24 3bg5 h PRO 1014Ca 0.15 0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3bg5 h PRO 1014Cb 0.86 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3bg5 h PRO 1014CO 0.49 -0.46 -0.05 0.87 -0.23 0.00 0.00 178.00 178.63 3bg5 h LYS 1015N -0.71 -0.11 -0.05 0.86 6.56 -1.95 -2.84 116.57 118.32 3bg5 h LYS 1015Ca -0.02 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3bg5 h LYS 1015Cb 0.65 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 3bg5 h LYS 1015CO -0.08 -0.08 0.03 0.28 -2.06 0.00 0.00 179.45 177.54 3bg5 h VAL 1016N -0.12 1.03 -0.89 0.50 2.07 -1.95 -2.01 116.25 114.88 3bg5 h VAL 1016Ca -0.01 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3bg5 h VAL 1016Cb 0.10 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3bg5 h VAL 1016CO 0.01 0.02 0.48 0.22 0.02 0.00 0.00 177.57 178.33 3bg5 h TYR 1017N 0.05 1.23 -0.32 1.57 3.20 -0.81 0.35 116.97 122.24 3bg5 h TYR 1017Ca 0.02 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3bg5 h TYR 1017Cb 0.01 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.88 3bg5 h TYR 1017CO -0.07 0.85 -0.03 0.93 -1.64 0.00 0.00 178.16 178.20 3bg5 h GLU 1018N 1.25 0.59 0.00 1.82 4.39 -1.44 -0.37 114.58 120.81 3bg5 h GLU 1018Ca 0.31 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3bg5 h GLU 1018Cb 0.03 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3bg5 h GLU 1018CO -0.05 0.74 -0.09 1.96 -1.16 0.00 0.00 179.01 180.41 3bg5 h GLN 1019N 0.37 0.00 0.12 2.33 4.20 -0.92 0.10 115.11 121.32 3bg5 h GLN 1019Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3bg5 h GLN 1019Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3bg5 h GLN 1019CO 0.02 0.09 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.29 3bg5 h TYR 1020N 0.00 -0.15 -0.64 2.96 3.20 0.17 -2.63 116.97 119.88 3bg5 h TYR 1020Ca -0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 3bg5 h TYR 1020Cb 0.16 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3bg5 h TYR 1020CO 0.00 0.25 0.42 0.82 -1.64 0.00 0.00 178.16 178.01 3bg5 h ILE 1021N -0.60 1.01 -0.88 1.81 1.08 -0.66 0.12 117.51 119.39 3bg5 h ILE 1021Ca -0.02 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 3bg5 h ILE 1021Cb 0.47 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 3bg5 h ILE 1021CO 0.03 0.12 0.51 1.56 -0.69 0.00 0.00 178.15 179.67 3bg5 h GLN 1022N 0.64 1.21 -0.16 2.37 1.08 -0.81 -0.80 115.11 118.64 3bg5 h GLN 1022Ca 0.28 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3bg5 h GLN 1022Cb 0.27 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3bg5 h GLN 1022CO -0.08 0.86 -0.19 1.15 -0.95 0.00 0.00 178.83 179.62 3bg5 h THR 1023N 1.22 1.35 -0.82 -0.54 2.02 -0.76 -2.72 112.91 112.66 3bg5 h THR 1023Ca 0.31 -1.38 0.11 0.00 0.77 0.00 0.00 66.41 66.22 3bg5 h THR 1023Cb -0.01 1.87 -0.08 0.00 -1.74 0.00 0.00 68.15 68.19 3bg5 h THR 1023CO -0.05 0.41 0.45 -0.09 0.37 0.00 0.00 175.52 176.60 3bg5 h ARG 1024N 0.05 0.70 -0.10 6.66 2.43 -0.69 0.18 114.38 123.61 3bg5 h ARG 1024Ca 0.02 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3bg5 h ARG 1024Cb 0.74 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3bg5 h ARG 1024CO 0.05 0.46 -0.08 -0.91 -1.51 0.00 0.00 179.97 177.98 3bg5 h ASN 1025N 0.72 0.14 0.11 -3.80 -0.26 -1.10 -0.93 115.58 110.46 3bg5 h ASN 1025Ca 0.41 -0.02 -0.31 0.00 -0.56 0.00 0.00 56.30 55.82 3bg5 h ASN 1025Cb 0.45 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 3bg5 h ASN 1025CO -0.28 0.24 -1.64 -0.61 -1.06 0.00 0.00 177.43 174.08 3bg5 h GLN 1026N 0.15 0.23 -0.00 0.81 4.15 -0.68 -3.42 115.11 116.34 3bg5 h GLN 1026Ca 0.03 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3bg5 h GLN 1026Cb 0.24 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.07 3bg5 h GLN 1026CO 0.01 1.19 -0.01 0.66 -1.93 0.00 0.00 178.83 178.75 3bg5 n TYR 1027N -3.81 0.00 -4.25 3.99 0.53 0.45 -4.74 117.16 109.33 3bg5 n TYR 1027Ca -0.29 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.59 3bg5 n TYR 1027Cb 0.94 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.25 3bg5 n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3bg5 n GLY 1028N 0.33 -0.38 3.51 2.72 0.00 -0.35 -4.13 105.19 106.90 3bg5 n GLY 1028Ca 0.00 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3bg5 n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bg5 s ASN 1029N -4.00 6.47 0.53 1.61 3.04 -1.26 -4.54 114.94 116.80 3bg5 s ASN 1029Ca 0.00 -1.49 0.30 0.00 0.04 0.00 0.00 52.86 51.72 3bg5 s ASN 1029Cb 0.00 -2.50 1.48 0.00 -1.54 0.00 0.00 41.25 38.69 3bg5 s ASN 1029CO 0.00 -1.40 2.06 -0.07 -3.04 0.00 0.00 177.10 174.65 3bg5 h LEU 1030N 11.91 0.00 -2.31 3.21 3.38 -1.81 -3.07 115.31 126.62 3bg5 h LEU 1030Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3bg5 h LEU 1030Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3bg5 h LEU 1030CO 1.28 0.10 -0.04 0.77 0.09 0.00 0.00 178.44 180.64 3bg5 h SER 1031N 0.00 0.00 0.38 -0.43 4.64 -1.88 -2.13 113.55 114.13 3bg5 h SER 1031Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3bg5 h SER 1031Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3bg5 h SER 1031CO 0.01 0.04 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.51 3bg5 h LEU 1032N 0.00 0.08-10.10 5.97 3.38 -1.89 -3.36 115.31 109.38 3bg5 h LEU 1032Ca -0.00 -0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.38 3bg5 h LEU 1032Cb 0.17 -0.02 0.16 0.00 0.09 0.00 0.00 40.66 41.06 3bg5 h LEU 1032CO 0.01 0.51 0.45 0.18 0.09 0.00 0.00 178.44 179.67 3bg5 n LEU 1033N -4.01 5.57 -4.82 1.67 4.77 -0.80 -4.57 117.00 114.81 3bg5 n LEU 1033Ca -0.02 0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 56.42 3bg5 n LEU 1033Cb 0.48 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.02 3bg5 n LEU 1033CO 0.40 -1.20 0.70 1.51 -1.33 0.00 0.00 177.39 177.48 3bg5 s ASP 1034N -1.49 6.19 0.14 -1.43 -4.77 -1.26 -4.83 116.67 109.21 3bg5 s ASP 1034Ca 0.81 1.74 -0.18 0.00 -3.30 0.00 0.00 52.55 51.62 3bg5 s ASP 1034Cb -0.37 -2.53 -0.03 0.00 -1.09 0.00 0.00 42.92 38.91 3bg5 s ASP 1034CO 0.42 -0.89 1.80 0.74 0.70 0.00 0.00 175.17 177.95 3bg5 h THR 1035N 0.80 1.08 -0.91 2.11 2.02 -1.96 0.41 112.91 116.46 3bg5 h THR 1035Ca -0.47 -0.14 0.11 0.00 0.77 0.00 0.00 66.41 66.68 3bg5 h THR 1035Cb 1.21 0.63 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 3bg5 h THR 1035CO 0.59 0.08 0.54 -0.65 0.37 0.00 0.00 175.52 176.45 3bg5 h PRO 1036N 0.42 0.84 -0.41 6.66 0.11 -1.93 -1.22 132.00 136.47 3bg5 h PRO 1036Ca 0.11 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 3bg5 h PRO 1036Cb -0.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 3bg5 h PRO 1036CO -0.02 0.56 -0.20 1.15 -0.21 0.00 0.00 178.00 179.27 3bg5 h THR 1037N 0.87 1.28 -0.79 -1.15 2.02 -1.57 -1.14 112.91 112.42 3bg5 h THR 1037Ca 0.45 -1.34 0.09 0.00 0.77 0.00 0.00 66.41 66.37 3bg5 h THR 1037Cb 0.45 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.06 3bg5 h THR 1037CO -0.27 0.45 0.45 0.15 0.37 0.00 0.00 175.52 176.67 3bg5 h PHE 1038N 0.67 0.81 0.00 3.16 3.57 -0.32 -1.43 116.94 123.41 3bg5 h PHE 1038Ca 0.09 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3bg5 h PHE 1038Cb 0.76 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3bg5 h PHE 1038CO 0.06 0.34 -1.42 1.19 -2.23 0.00 0.00 178.31 176.26 3bg5 n PHE 1039N -4.75 0.81 0.00 0.41 0.99 -0.52 -4.64 117.46 109.75 3bg5 n PHE 1039Ca 0.12 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.83 3bg5 n PHE 1039Cb 0.25 -0.98 0.00 0.00 -1.00 0.00 0.00 39.48 37.76 3bg5 n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3bg5 n PHE 1040N -2.74 0.00 -1.14 1.38 3.01 -0.44 -4.44 117.46 113.09 3bg5 n PHE 1040Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3bg5 n PHE 1040Cb 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 3bg5 n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 1041N 0.84 0.60 2.97 1.37 0.00 -0.54 -4.19 105.19 106.24 3bg5 n GLY 1041Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 3bg5 n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bg5 s MET 1042N 0.00 0.28 0.57 1.61 1.00 -1.26 -4.42 119.30 117.08 3bg5 s MET 1042Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 55.69 55.07 3bg5 s MET 1042Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 34.83 34.83 3bg5 s MET 1042CO 0.00 -0.03 0.97 1.03 0.00 0.00 0.00 175.02 176.99 3bg5 s ARG 1043N -1.20 3.64 0.14 2.03 0.52 -1.26 -4.92 118.95 117.90 3bg5 s ARG 1043Ca -0.13 0.66 -0.34 0.00 -0.52 0.00 0.00 55.73 55.41 3bg5 s ARG 1043Cb -0.08 -2.15 -0.14 0.00 0.52 0.00 0.00 34.95 33.09 3bg5 s ARG 1043CO -0.01 -0.44 1.58 0.09 0.02 0.00 0.00 175.30 176.55 3bg5 n ASN 1044N -2.44 3.04 0.00 0.23 5.03 -1.26 -2.39 115.26 117.46 3bg5 n ASN 1044Ca 0.05 1.08 0.00 0.00 0.87 0.00 0.00 54.58 56.58 3bg5 n ASN 1044Cb 0.54 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.89 3bg5 n ASN 1044CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 1045N 3.43 1.15 3.83 7.41 0.00 0.23 -5.01 105.19 116.23 3bg5 n GLY 1045Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3bg5 n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bg5 s GLU 1046N -0.12 4.00 -0.13 1.61 2.12 -1.01 -4.85 118.70 120.33 3bg5 s GLU 1046Ca 0.00 1.05 0.02 0.00 0.36 0.00 0.00 54.97 56.40 3bg5 s GLU 1046Cb 0.00 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.26 3bg5 s GLU 1046CO 0.00 -0.23 -0.18 0.99 -0.54 0.00 0.00 175.26 175.30 3bg5 s THR 1047N -2.42 1.73 0.03 -1.70 2.01 -1.26 -2.23 115.64 111.80 3bg5 s THR 1047Ca 0.61 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.90 3bg5 s THR 1047Cb -0.10 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 3bg5 s THR 1047CO 0.25 0.49 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.77 3bg5 s VAL 1048N 0.98 2.62 -0.21 3.82 1.01 -0.10 -4.98 120.40 123.54 3bg5 s VAL 1048Ca -0.05 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.75 3bg5 s VAL 1048Cb -0.15 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.20 3bg5 s VAL 1048CO -0.03 0.38 -0.14 -1.61 0.00 0.00 0.00 175.10 173.70 3bg5 s GLU 1049N -1.28 2.42 -0.38 2.72 2.02 -1.26 -1.06 118.70 121.88 3bg5 s GLU 1049Ca 0.13 -0.98 -0.14 0.00 0.02 0.00 0.00 54.97 53.99 3bg5 s GLU 1049Cb -0.10 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.53 3bg5 s GLU 1049CO 0.04 -0.39 0.30 0.42 0.02 0.00 0.00 175.26 175.64 3bg5 s ILE 1050N 1.27 5.24 -0.60 -1.63 1.01 -0.37 -4.94 121.20 121.17 3bg5 s ILE 1050Ca -0.01 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 3bg5 s ILE 1050Cb -0.16 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.47 3bg5 s ILE 1050CO -0.09 -0.19 1.43 -0.70 0.00 0.00 0.00 174.94 175.40 3bg5 s GLU 1051N 1.78 3.20 -0.12 2.79 2.56 -1.26 -1.56 118.70 126.09 3bg5 s GLU 1051Ca 0.07 0.32 -0.28 0.00 0.00 0.00 0.00 54.97 55.08 3bg5 s GLU 1051Cb -0.18 -4.16 -0.25 0.00 2.00 0.00 0.00 34.13 31.53 3bg5 s GLU 1051CO 0.11 -2.07 0.84 0.82 -0.56 0.00 0.00 175.26 174.40 3bg5 h ILE 1052N 6.36 1.73 -2.48 -3.70 2.04 -1.72 -3.48 117.51 116.26 3bg5 h ILE 1052Ca -0.27 -2.20 0.16 0.00 1.00 0.00 0.00 64.86 63.56 3bg5 h ILE 1052Cb 1.09 3.22 -0.05 0.00 -0.74 0.00 0.00 36.82 40.35 3bg5 h ILE 1052CO 1.20 0.57 0.56 -0.62 0.00 0.00 0.00 178.15 179.87 3bg5 s ASP 1053N -6.19 -0.04 -0.22 1.72 3.68 -0.94 -5.04 116.67 109.64 3bg5 s ASP 1053Ca -0.18 -0.62 -0.33 0.00 2.13 0.00 0.00 52.55 53.55 3bg5 s ASP 1053Cb -0.02 0.50 -0.10 0.00 -1.45 0.00 0.00 42.92 41.85 3bg5 s ASP 1053CO 0.70 -0.98 2.09 1.17 0.13 0.00 0.00 175.17 178.28 3bg5 n LYS 1054N -0.64 1.74 -0.96 4.34 4.81 -1.26 -1.53 118.16 124.66 3bg5 n LYS 1054Ca -0.04 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3bg5 n LYS 1054Cb 0.60 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.88 3bg5 n LYS 1054CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bg5 n GLY 1055N 5.56 0.44 2.98 3.14 0.00 -1.26 -5.00 105.19 111.05 3bg5 n GLY 1055Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 3bg5 n GLY 1055CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s LYS 1056N -0.53 1.65 0.01 1.61 -2.85 -0.58 -5.13 119.74 113.92 3bg5 s LYS 1056Ca 0.00 -0.36 -0.11 0.00 -1.00 0.00 0.00 55.97 54.51 3bg5 s LYS 1056Cb 0.00 -1.49 0.01 0.00 -2.06 0.00 0.00 37.83 34.29 3bg5 s LYS 1056CO 0.00 -0.09 0.22 -0.98 0.10 0.00 0.00 175.35 174.60 3bg5 s ARG 1057N 1.08 0.61 -0.35 1.78 1.70 -1.26 -1.79 118.95 120.72 3bg5 s ARG 1057Ca -0.07 -0.38 -0.17 0.00 -0.47 0.00 0.00 55.73 54.64 3bg5 s ARG 1057Cb -0.14 0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 3bg5 s ARG 1057CO -0.01 -0.17 0.45 -0.51 -1.08 0.00 0.00 175.30 173.98 3bg5 s LEU 1058N -1.55 4.42 -0.35 -1.89 1.43 -0.60 -4.94 118.68 115.20 3bg5 s LEU 1058Ca -0.12 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.63 3bg5 s LEU 1058Cb -0.05 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 3bg5 s LEU 1058CO 0.01 -0.43 0.58 -0.63 0.23 0.00 0.00 176.35 176.11 3bg5 s ILE 1059N 2.22 4.95 -0.12 -0.59 -1.09 -1.26 -1.24 121.20 124.06 3bg5 s ILE 1059Ca 0.15 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.12 3bg5 s ILE 1059Cb -0.16 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3bg5 s ILE 1059CO 0.13 -0.25 -0.22 -0.63 -1.23 0.00 0.00 174.94 172.74 3bg5 s ILE 1060N 2.56 2.16 -0.17 2.92 1.01 -0.22 -1.63 121.20 127.84 3bg5 s ILE 1060Ca 0.22 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3bg5 s ILE 1060Cb -0.15 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3bg5 s ILE 1060CO 0.14 0.55 -0.09 -0.75 0.00 0.00 0.00 174.94 174.79 3bg5 s LYS 1061N 0.58 3.42 -0.35 2.79 2.20 0.06 -0.92 119.74 127.52 3bg5 s LYS 1061Ca -0.12 -0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 54.64 3bg5 s LYS 1061Cb -0.17 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3bg5 s LYS 1061CO 0.03 0.06 0.64 -1.17 -0.36 0.00 0.00 175.35 174.56 3bg5 s LEU 1062N 0.78 4.24 -0.20 5.43 0.20 -0.95 -1.27 118.68 126.92 3bg5 s LEU 1062Ca -0.03 0.19 -0.23 0.00 0.69 0.00 0.00 54.13 54.75 3bg5 s LEU 1062Cb -0.15 -2.80 -0.20 0.00 -0.43 0.00 0.00 46.19 42.61 3bg5 s LEU 1062CO 0.01 -0.59 0.29 -0.33 -0.29 0.00 0.00 176.35 175.44 3bg5 h GLU 1063N 8.43 0.00 -2.63 1.98 5.08 -1.46 0.66 114.58 126.65 3bg5 h GLU 1063Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3bg5 h GLU 1063Cb 1.11 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 3bg5 h GLU 1063CO 0.84 0.99 0.27 -0.08 -1.00 0.00 0.00 179.01 180.03 3bg5 s THR 1064N -2.34 0.00 -0.04 1.13 -1.32 -1.19 -4.00 115.64 107.88 3bg5 s THR 1064Ca -0.27 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.26 3bg5 s THR 1064Cb 0.05 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3bg5 s THR 1064CO 0.60 0.00 -0.21 -0.63 -2.21 0.00 0.00 174.62 172.17 3bg5 s ILE 1065N -3.06 2.47 0.69 5.08 1.01 -1.26 -1.17 121.20 124.95 3bg5 s ILE 1065Ca -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3bg5 s ILE 1065Cb -0.01 -1.92 0.08 0.00 0.01 0.00 0.00 42.46 40.62 3bg5 s ILE 1065CO -0.08 0.58 0.97 -0.94 0.00 0.00 0.00 174.94 175.47 3bg5 s SER 1066N -0.55 4.71 0.66 3.58 1.04 0.21 -4.98 113.70 118.38 3bg5 s SER 1066Ca 0.08 0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.50 3bg5 s SER 1066Cb -0.11 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.25 3bg5 s SER 1066CO 0.01 -1.62 1.14 -1.61 0.98 0.00 0.00 173.24 172.14 3bg5 s GLU 1067N -5.14 2.72 0.32 4.02 0.41 -1.26 -4.52 118.70 115.24 3bg5 s GLU 1067Ca 0.62 1.51 -0.28 0.00 -0.41 0.00 0.00 54.97 56.40 3bg5 s GLU 1067Cb -0.09 -1.93 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 3bg5 s GLU 1067CO 0.44 -1.34 1.14 -2.14 -0.49 0.00 0.00 175.26 172.87 3bg5 s PRO 1068N -3.94 4.46 1.09 0.39 0.02 -1.26 -4.52 135.00 131.24 3bg5 s PRO 1068Ca 0.69 1.84 -0.18 0.00 0.02 0.00 0.00 61.00 63.38 3bg5 s PRO 1068Cb -0.23 -3.03 0.25 0.00 0.02 0.00 0.00 34.50 31.51 3bg5 s PRO 1068CO 0.40 0.04 1.23 0.16 -0.33 0.00 0.00 177.00 178.51 3bg5 s ASP 1069N -0.93 1.97 0.59 2.53 3.84 -0.32 -0.25 116.67 124.10 3bg5 s ASP 1069Ca 0.48 0.38 0.29 0.00 -0.00 0.00 0.00 52.55 53.70 3bg5 s ASP 1069Cb -0.32 -0.47 1.42 0.00 -1.38 0.00 0.00 42.92 42.16 3bg5 s ASP 1069CO 0.41 -3.45 1.82 1.05 -0.00 0.00 0.00 175.17 175.00 3bg5 h GLU 1070N -2.13 0.00 -0.32 2.11 9.09 -1.83 0.12 114.58 121.61 3bg5 h GLU 1070Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3bg5 h GLU 1070Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3bg5 h GLU 1070CO 0.34 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.49 3bg5 n ASN 1071N -3.66 2.15 -0.33 3.06 5.03 -1.26 -4.92 115.26 115.34 3bg5 n ASN 1071Ca 0.11 -1.89 -0.04 0.00 0.87 0.00 0.00 54.58 53.63 3bg5 n ASN 1071Cb 0.80 -0.21 -0.02 0.00 -1.02 0.00 0.00 39.78 39.33 3bg5 n ASN 1071CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 1072N 1.19 0.67 3.72 7.41 0.00 0.40 -4.92 105.19 113.67 3bg5 n GLY 1072Ca 0.15 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3bg5 n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 1073N -2.46 7.02 -0.05 1.61 0.01 -1.26 -1.16 114.94 118.64 3bg5 s ASN 1073Ca 0.00 1.22 -0.04 0.00 -0.71 0.00 0.00 52.86 53.33 3bg5 s ASN 1073Cb 0.00 -2.42 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3bg5 s ASN 1073CO 0.00 -0.08 0.13 -0.13 -1.51 0.00 0.00 177.10 175.50 3bg5 s ARG 1074N 0.62 3.31 -0.25 -0.60 0.52 0.57 -1.17 118.95 121.95 3bg5 s ARG 1074Ca 0.37 -0.30 -0.14 0.00 -0.52 0.00 0.00 55.73 55.14 3bg5 s ARG 1074Cb -0.18 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 3bg5 s ARG 1074CO 0.19 0.71 0.31 0.99 0.02 0.00 0.00 175.30 177.51 3bg5 s THR 1075N -1.15 5.24 -0.26 0.02 2.01 -1.26 -1.80 115.64 118.45 3bg5 s THR 1075Ca 0.21 0.46 -0.10 0.00 0.31 0.00 0.00 61.69 62.56 3bg5 s THR 1075Cb -0.12 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3bg5 s THR 1075CO 0.11 0.24 0.17 -0.63 -0.69 0.00 0.00 174.62 173.81 3bg5 s ILE 1076N 1.60 5.26 -0.37 1.82 1.01 0.69 -0.62 121.20 130.59 3bg5 s ILE 1076Ca 0.13 0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 3bg5 s ILE 1076Cb -0.15 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.85 3bg5 s ILE 1076CO 0.08 0.30 0.66 -0.31 0.00 0.00 0.00 174.94 175.67 3bg5 s TYR 1077N 1.43 3.13 0.29 3.97 1.51 -0.32 -1.59 117.35 125.77 3bg5 s TYR 1077Ca 0.07 0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.53 3bg5 s TYR 1077Cb -0.15 -3.22 -0.05 0.00 -0.11 0.00 0.00 41.96 38.43 3bg5 s TYR 1077CO 0.08 -0.69 -0.03 0.71 -1.11 0.00 0.00 175.55 174.50 3bg5 s TYR 1078N 2.80 2.59 -0.05 2.71 1.51 0.12 -1.14 117.35 125.88 3bg5 s TYR 1078Ca 0.25 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 56.06 3bg5 s TYR 1078Cb -0.14 -1.24 -0.00 0.00 -0.11 0.00 0.00 41.96 40.46 3bg5 s TYR 1078CO 0.16 0.59 -0.20 0.00 -1.11 0.00 0.00 175.55 175.00 3bg5 s ALA 1079N -2.41 1.75 -0.13 3.71 0.00 -0.39 -0.57 121.76 123.72 3bg5 s ALA 1079Ca 0.32 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 3bg5 s ALA 1079Cb -0.05 -0.58 0.06 0.00 0.00 0.00 0.00 23.12 22.55 3bg5 s ALA 1079CO 0.19 0.31 0.13 1.41 0.00 0.00 0.00 175.76 177.80 3bg5 s MET 1080N 0.03 0.06 -1.42 0.00 0.00 -0.67 -0.76 119.30 116.54 3bg5 s MET 1080Ca -0.05 0.23 -0.03 0.00 0.00 0.00 0.00 55.69 55.84 3bg5 s MET 1080Cb -0.13 -1.05 0.02 0.00 0.00 0.00 0.00 34.83 33.68 3bg5 s MET 1080CO 0.03 -0.51 0.58 0.09 0.00 0.00 0.00 175.02 175.21 3bg5 n ASN 1081N 5.30 -1.23 -0.14 1.11 3.02 -0.64 -2.39 115.26 120.28 3bg5 n ASN 1081Ca -0.05 -0.94 -0.02 0.00 -0.03 0.00 0.00 54.58 53.54 3bg5 n ASN 1081Cb 0.50 -3.36 -0.01 0.00 -0.61 0.00 0.00 39.78 36.29 3bg5 n ASN 1081CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 1082N -1.80 0.54 2.84 7.41 0.00 -1.26 -5.02 105.19 107.90 3bg5 n GLY 1082Ca -0.24 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 3bg5 n GLY 1082CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg5 s GLN 1083N -1.54 0.79 0.37 1.61 -0.21 -1.01 -5.13 119.66 114.54 3bg5 s GLN 1083Ca 0.00 -0.03 -0.28 0.00 0.02 0.00 0.00 55.36 55.07 3bg5 s GLN 1083Cb 0.00 -0.95 -0.11 0.00 1.00 0.00 0.00 33.01 32.95 3bg5 s GLN 1083CO 0.00 -0.19 1.45 0.00 -2.12 0.00 0.00 175.29 174.43 3bg5 n ALA 1084N 4.57 2.15 -3.52 6.09 0.00 -1.26 -1.66 120.51 126.87 3bg5 n ALA 1084Ca -0.17 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 3bg5 n ALA 1084Cb 0.50 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 3bg5 n ALA 1084CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bg5 s ARG 1085N -2.02 0.37 -0.16 0.00 6.06 0.26 -4.92 118.95 118.55 3bg5 s ARG 1085Ca 0.54 0.62 0.01 0.00 -2.50 0.00 0.00 55.73 54.40 3bg5 s ARG 1085Cb -0.50 0.05 0.02 0.00 0.06 0.00 0.00 34.95 34.58 3bg5 s ARG 1085CO 0.63 -0.12 -0.17 1.03 -2.50 0.00 0.00 175.30 174.17 3bg5 s ARG 1086N 0.89 2.62 0.00 5.12 0.52 -1.26 0.12 118.95 126.96 3bg5 s ARG 1086Ca -0.06 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 54.55 3bg5 s ARG 1086Cb -0.06 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 3bg5 s ARG 1086CO -0.07 -0.19 -0.25 0.42 0.02 0.00 0.00 175.30 175.24 3bg5 s ILE 1087N 1.30 1.96 -0.20 1.52 -1.09 -0.62 -4.81 121.20 119.26 3bg5 s ILE 1087Ca 0.03 -1.14 -0.05 0.00 -2.23 0.00 0.00 60.65 57.25 3bg5 s ILE 1087Cb -0.13 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 3bg5 s ILE 1087CO -0.10 0.47 0.01 -0.31 -1.23 0.00 0.00 174.94 173.78 3bg5 s TYR 1088N -0.65 3.05 -0.08 3.97 1.51 -1.26 -0.22 117.35 123.66 3bg5 s TYR 1088Ca 0.10 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3bg5 s TYR 1088Cb -0.09 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3bg5 s TYR 1088CO 0.00 -0.23 -0.23 0.42 -1.11 0.00 0.00 175.55 174.40 3bg5 s ILE 1089N 1.01 1.97 -0.18 2.71 1.09 -0.74 -4.95 121.20 122.10 3bg5 s ILE 1089Ca 0.02 -0.98 -0.29 0.00 -1.10 0.00 0.00 60.65 58.29 3bg5 s ILE 1089Cb -0.14 -1.69 -0.01 0.00 -1.06 0.00 0.00 42.46 39.56 3bg5 s ILE 1089CO 0.02 0.54 1.21 -0.75 -0.10 0.00 0.00 174.94 175.86 3bg5 s LYS 1090N 0.21 4.24 -0.07 2.79 2.20 -1.26 -0.31 119.74 127.53 3bg5 s LYS 1090Ca -0.14 1.59 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 3bg5 s LYS 1090Cb -0.16 -3.74 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 3bg5 s LYS 1090CO 0.07 -0.69 1.54 0.34 -0.36 0.00 0.00 175.35 176.25 3bg5 s ASP 1091N 1.80 6.75 -0.62 1.43 3.68 -0.31 -4.96 116.67 124.45 3bg5 s ASP 1091Ca 0.52 2.10 -0.28 0.00 2.13 0.00 0.00 52.55 57.03 3bg5 s ASP 1091Cb -0.20 -2.54 0.02 0.00 -1.45 0.00 0.00 42.92 38.75 3bg5 s ASP 1091CO 0.13 -0.87 1.30 -1.61 0.13 0.00 0.00 175.17 174.25 3bg5 s GLU 1092N 3.73 3.35 -0.60 4.34 2.02 -1.26 -4.59 118.70 125.68 3bg5 s GLU 1092Ca 0.68 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.84 3bg5 s GLU 1092Cb -0.31 -4.10 0.02 0.00 0.10 0.00 0.00 34.13 29.85 3bg5 s GLU 1092CO 0.26 -1.91 0.06 -1.71 0.02 0.00 0.00 175.26 171.98 3bg5 n ASN 1093N 9.13 0.09 -0.05 -0.19 5.15 -1.26 -4.82 115.26 123.30 3bg5 n ASN 1093Ca 0.09 -0.47 -0.07 0.00 -0.60 0.00 0.00 54.58 53.53 3bg5 n ASN 1093Cb 0.49 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.09 3bg5 n ASN 1093CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3bg5 h VAL 1094N -0.10 0.84 0.05 3.44 2.07 -2.00 -3.41 116.25 117.13 3bg5 h VAL 1094Ca -0.24 -1.61 -0.35 0.00 0.82 0.00 0.00 66.70 65.32 3bg5 h VAL 1094Cb 0.52 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3bg5 h VAL 1094CO 0.28 0.28 -2.06 1.41 0.02 0.00 0.00 177.57 177.50 3bg5 n HIS 1095N -4.71 0.78 0.00 1.57 8.25 -1.26 -4.98 115.22 114.86 3bg5 n HIS 1095Ca -0.05 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3bg5 n HIS 1095Cb 0.23 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.22 3bg5 n HIS 1095CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3bg5 n THR 1096N -3.21 0.00 0.00 1.59 -1.04 -1.26 -4.34 114.28 106.02 3bg5 n THR 1096Ca -0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3bg5 n THR 1096Cb 1.05 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 3bg5 n THR 1096CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3bg5 n ASN 1097N 0.18 0.02 -1.09 8.00 0.23 -1.26 -4.89 115.26 116.45 3bg5 n ASN 1097Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3bg5 n ASN 1097Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3bg5 n ASN 1097CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3bg5 n ALA 1098N -0.19 1.98 -1.97 -2.53 0.00 -1.26 -4.63 120.51 111.90 3bg5 n ALA 1098Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3bg5 n ALA 1098Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 3bg5 n ALA 1098CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3bg5 s ASN 1099N 1.11 7.35 -0.43 0.00 0.01 -1.26 -4.57 114.94 117.14 3bg5 s ASN 1099Ca 0.00 1.64 -0.21 0.00 -0.71 0.00 0.00 52.86 53.58 3bg5 s ASN 1099Cb 0.00 -2.50 0.02 0.00 0.41 0.00 0.00 41.25 39.18 3bg5 s ASN 1099CO 0.00 0.16 0.68 -0.69 -1.51 0.00 0.00 177.10 175.74 3bg5 s VAL 1100N -1.25 4.79 0.49 1.60 1.01 0.65 -4.80 120.40 122.89 3bg5 s VAL 1100Ca 0.38 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 3bg5 s VAL 1100Cb -0.22 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 3bg5 s VAL 1100CO 0.26 -0.59 1.08 -0.54 0.00 0.00 0.00 175.10 175.30 3bg5 s LYS 1101N 2.93 3.69 0.81 2.72 -0.14 -1.26 -2.78 119.74 125.71 3bg5 s LYS 1101Ca 0.25 1.50 -0.11 0.00 -1.36 0.00 0.00 55.97 56.25 3bg5 s LYS 1101Cb -0.14 -2.14 0.08 0.00 -1.68 0.00 0.00 37.83 33.95 3bg5 s LYS 1101CO 0.19 -0.55 1.10 -2.14 -0.76 0.00 0.00 175.35 173.19 3bg5 s PRO 1102N -3.12 1.97 0.04 -1.68 0.02 -1.26 -4.84 135.00 126.12 3bg5 s PRO 1102Ca 0.68 1.16 -0.22 0.00 0.02 0.00 0.00 61.00 62.63 3bg5 s PRO 1102Cb -0.21 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.39 3bg5 s PRO 1102CO 0.24 -1.84 0.67 0.15 -0.33 0.00 0.00 177.00 175.89 3bg5 s LYS 1103N -4.88 4.39 0.31 5.54 -0.14 -1.26 -0.69 119.74 123.00 3bg5 s LYS 1103Ca 0.62 0.89 -0.29 0.00 -1.36 0.00 0.00 55.97 55.82 3bg5 s LYS 1103Cb -0.18 -3.33 -0.10 0.00 -1.68 0.00 0.00 37.83 32.54 3bg5 s LYS 1103CO 0.56 0.39 1.43 0.00 -0.76 0.00 0.00 175.35 176.98 3bg5 s ALA 1104N -0.35 3.59 -0.35 5.17 0.00 -0.23 -4.67 121.76 124.93 3bg5 s ALA 1104Ca 0.34 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 3bg5 s ALA 1104Cb -0.20 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3bg5 s ALA 1104CO 0.20 -0.81 1.42 0.34 0.00 0.00 0.00 175.76 176.91 3bg5 s ASP 1105N 0.03 6.43 0.00 0.00 -1.08 -1.26 -4.90 116.67 115.89 3bg5 s ASP 1105Ca 0.55 1.08 0.20 0.00 -0.52 0.00 0.00 52.55 53.87 3bg5 s ASP 1105Cb -0.43 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.41 3bg5 s ASP 1105CO 0.51 -1.31 1.65 0.29 0.52 0.00 0.00 175.17 176.83 3bg5 n LYS 1106N 7.79 0.09 0.03 4.34 5.02 -1.26 -2.22 118.16 131.96 3bg5 n LYS 1106Ca 0.17 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.70 3bg5 n LYS 1106Cb 0.47 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3bg5 n LYS 1106CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3bg5 n SER 1107N -1.43 0.61 -4.52 4.39 7.64 -1.26 -4.87 113.62 114.18 3bg5 n SER 1107Ca 0.06 -0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 3bg5 n SER 1107Cb 0.21 0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 64.12 3bg5 n SER 1107CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3bg5 s ASN 1108N -4.01 6.27 0.63 6.43 2.47 -0.94 -4.95 114.94 120.84 3bg5 s ASN 1108Ca 0.03 -0.33 0.39 0.00 0.42 0.00 0.00 52.86 53.37 3bg5 s ASN 1108Cb 0.14 -2.26 2.11 0.00 -1.45 0.00 0.00 41.25 39.79 3bg5 s ASN 1108CO 0.80 -0.58 2.29 1.55 -3.72 0.00 0.00 177.10 177.44 3bg5 h PRO 1109N 8.65 0.00 0.00 0.43 0.13 -1.89 -1.96 132.00 137.36 3bg5 h PRO 1109Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 3bg5 h PRO 1109Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3bg5 h PRO 1109CO 0.81 0.01 -0.63 0.66 -0.23 0.00 0.00 178.00 178.62 3bg5 h SER 1110N 0.00 0.00 -3.14 1.44 4.64 -1.93 -3.45 113.55 111.11 3bg5 h SER 1110Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3bg5 h SER 1110Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3bg5 h SER 1110CO 0.00 0.63 0.64 -1.00 -0.87 0.00 0.00 176.83 176.23 3bg5 s HIS 1111N -2.90 3.29 -0.20 4.77 3.76 -0.74 -2.31 115.29 120.95 3bg5 s HIS 1111Ca 0.03 1.29 -0.04 0.00 -0.15 0.00 0.00 55.06 56.19 3bg5 s HIS 1111Cb 0.08 -3.39 -0.01 0.00 1.11 0.00 0.00 32.58 30.37 3bg5 s HIS 1111CO 0.76 -1.16 -0.04 0.42 -0.85 0.00 0.00 174.74 173.87 3bg5 s ILE 1112N 1.87 3.48 0.25 0.60 1.01 -0.26 -4.93 121.20 123.21 3bg5 s ILE 1112Ca 0.56 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.81 3bg5 s ILE 1112Cb -0.25 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3bg5 s ILE 1112CO 0.24 0.44 0.22 -0.83 0.00 0.00 0.00 174.94 175.00 3bg5 s GLY 1113N 1.23 1.39 0.15 6.18 0.00 -1.26 -0.60 107.32 114.41 3bg5 s GLY 1113Ca 0.03 -1.39 -0.31 0.00 0.00 0.00 0.00 44.72 43.05 3bg5 s GLY 1113CO -0.01 -1.43 1.36 0.00 0.00 0.00 0.00 173.10 173.02 3bg5 s ALA 1114N -2.11 3.57 0.08 3.20 0.00 -0.00 -4.87 121.76 121.63 3bg5 s ALA 1114Ca 0.33 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 3bg5 s ALA 1114Cb -0.08 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.28 3bg5 s ALA 1114CO 0.25 -0.59 1.16 1.96 0.00 0.00 0.00 175.76 178.54 3bg5 h GLN 1115N 6.22 0.46 -4.72 0.00 1.08 -1.92 -0.78 115.11 115.45 3bg5 h GLN 1115Ca -0.43 -0.64 -0.29 0.00 -1.45 0.00 0.00 58.65 55.85 3bg5 h GLN 1115Cb 1.21 0.21 -0.15 0.00 -0.05 0.00 0.00 27.48 28.71 3bg5 h GLN 1115CO 0.83 1.27 -0.63 -1.64 -0.95 0.00 0.00 178.83 177.71 3bg5 s MET 1116N -2.93 1.25 0.46 1.46 -1.94 -1.26 -4.79 119.30 111.54 3bg5 s MET 1116Ca -0.07 -1.65 -0.22 0.00 -1.71 0.00 0.00 55.69 52.03 3bg5 s MET 1116Cb 0.07 -0.02 -0.08 0.00 2.01 0.00 0.00 34.83 36.80 3bg5 s MET 1116CO 0.90 -0.30 1.11 -1.25 -0.01 0.00 0.00 175.02 175.48 3bg5 s PRO 1117N -4.06 3.83 0.00 2.03 0.04 -1.26 -3.97 135.00 131.60 3bg5 s PRO 1117Ca 0.35 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3bg5 s PRO 1117Cb 0.07 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3bg5 s PRO 1117CO 0.11 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.10 3bg5 n GLY 1118N 0.30 -0.74 3.19 0.56 0.00 -0.53 -4.73 105.19 103.24 3bg5 n GLY 1118Ca 0.07 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3bg5 n GLY 1118CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bg5 s SER 1119N -4.00 1.71 -0.33 1.61 0.01 -0.78 -0.61 113.70 111.32 3bg5 s SER 1119Ca 0.00 -0.68 -0.23 0.00 1.31 0.00 0.00 55.95 56.36 3bg5 s SER 1119Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3bg5 s SER 1119CO 0.00 -0.11 0.74 -0.69 0.41 0.00 0.00 173.24 173.59 3bg5 s VAL 1120N -1.59 4.81 -0.13 3.43 1.01 0.91 -0.76 120.40 128.07 3bg5 s VAL 1120Ca 0.01 0.98 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 3bg5 s VAL 1120Cb -0.08 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 3bg5 s VAL 1120CO 0.02 -0.29 0.22 0.74 0.00 0.00 0.00 175.10 175.79 3bg5 h THR 1121N 5.64 0.64 -2.81 3.92 2.02 -0.90 0.49 112.91 121.92 3bg5 h THR 1121Ca -0.25 -1.55 -0.20 0.00 0.77 0.00 0.00 66.41 65.18 3bg5 h THR 1121Cb 1.10 1.28 -0.32 0.00 -1.74 0.00 0.00 68.15 68.48 3bg5 h THR 1121CO 0.87 0.22 -0.51 -0.70 0.37 0.00 0.00 175.52 175.77 3bg5 s GLU 1122N -1.98 0.17 -0.18 6.66 2.12 -0.96 -4.57 118.70 119.96 3bg5 s GLU 1122Ca -0.12 0.79 -0.25 0.00 0.36 0.00 0.00 54.97 55.75 3bg5 s GLU 1122Cb 0.00 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 3bg5 s GLU 1122CO 0.32 -0.28 0.82 0.54 -0.54 0.00 0.00 175.26 176.12 3bg5 s VAL 1123N 2.43 4.88 -0.53 3.70 0.11 -1.26 -0.71 120.40 129.02 3bg5 s VAL 1123Ca 0.01 1.60 0.17 0.00 -2.93 0.00 0.00 61.98 60.83 3bg5 s VAL 1123Cb -0.12 -4.12 -0.22 0.00 -1.53 0.00 0.00 36.38 30.39 3bg5 s VAL 1123CO -0.09 0.02 0.61 0.29 -3.33 0.00 0.00 175.10 172.60 3bg5 n LYS 1124N 5.33 1.00 -4.48 1.54 5.02 0.58 -5.00 118.16 122.15 3bg5 n LYS 1124Ca 0.04 -0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 3bg5 n LYS 1124Cb 0.49 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 3bg5 n LYS 1124CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3bg5 s VAL 1125N -2.86 1.37 0.14 -0.18 -7.23 -1.21 -5.00 120.40 105.42 3bg5 s VAL 1125Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 3bg5 s VAL 1125Cb 0.12 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 3bg5 s VAL 1125CO 0.72 -0.01 0.02 -0.94 -0.31 0.00 0.00 175.10 174.58 3bg5 s SER 1126N -3.53 0.74 -0.03 4.85 1.04 -1.26 -5.03 113.70 110.48 3bg5 s SER 1126Ca 0.36 -1.16 -0.34 0.00 0.48 0.00 0.00 55.95 55.29 3bg5 s SER 1126Cb 0.09 0.20 -0.12 0.00 0.10 0.00 0.00 66.02 66.29 3bg5 s SER 1126CO 0.16 -0.64 1.80 0.52 0.98 0.00 0.00 173.24 176.06 3bg5 n VAL 1127N -0.13 0.43 0.00 5.02 0.31 -1.26 -2.28 118.33 120.42 3bg5 n VAL 1127Ca -0.07 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3bg5 n VAL 1127Cb 0.63 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3bg5 n VAL 1127CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bg5 n GLY 1128N 4.15 2.70 3.76 2.92 0.00 0.21 -5.01 105.19 113.92 3bg5 n GLY 1128Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3bg5 n GLY 1128CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bg5 s GLU 1129N -0.42 3.74 -0.11 1.61 2.12 -0.96 -4.60 118.70 120.06 3bg5 s GLU 1129Ca 0.00 2.04 -0.16 0.00 0.36 0.00 0.00 54.97 57.20 3bg5 s GLU 1129Cb 0.00 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.80 3bg5 s GLU 1129CO 0.00 -0.65 0.42 0.99 -0.54 0.00 0.00 175.26 175.48 3bg5 s THR 1130N -1.37 5.20 0.17 -1.70 2.01 -1.26 -1.30 115.64 117.38 3bg5 s THR 1130Ca 0.62 0.83 0.07 0.00 0.31 0.00 0.00 61.69 63.52 3bg5 s THR 1130Cb -0.35 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 3bg5 s THR 1130CO 0.44 0.38 -0.15 0.68 -0.69 0.00 0.00 174.62 175.28 3bg5 s VAL 1131N 0.32 1.62 0.18 3.82 -7.23 -0.13 -5.02 120.40 113.97 3bg5 s VAL 1131Ca 0.23 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 3bg5 s VAL 1131Cb -0.15 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3bg5 s VAL 1131CO 0.09 -0.47 0.20 -0.75 -0.31 0.00 0.00 175.10 173.87 3bg5 s LYS 1132N -3.12 3.09 0.32 4.82 2.20 -1.26 -2.41 119.74 123.39 3bg5 s LYS 1132Ca 0.16 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 3bg5 s LYS 1132Cb -0.03 -2.74 -0.12 0.00 -1.51 0.00 0.00 37.83 33.43 3bg5 s LYS 1132CO 0.05 0.48 1.53 0.00 -0.36 0.00 0.00 175.35 177.05 3bg5 n ALA 1133N -0.62 2.32 -0.74 3.13 0.00 -1.24 -2.22 120.51 121.14 3bg5 n ALA 1133Ca -0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3bg5 n ALA 1133Cb 0.55 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3bg5 n ALA 1133CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bg5 n ASN 1134N 1.55 0.00 -4.73 0.00 3.02 0.59 -4.93 115.26 110.75 3bg5 n ASN 1134Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 3bg5 n ASN 1134Cb 0.37 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3bg5 n ASN 1134CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3bg5 s GLN 1135N -0.00 4.21 0.00 3.52 0.74 -0.94 -4.53 119.66 122.65 3bg5 s GLN 1135Ca 0.00 2.40 -0.33 0.00 0.05 0.00 0.00 55.36 57.48 3bg5 s GLN 1135Cb 0.00 -3.11 -0.12 0.00 1.10 0.00 0.00 33.01 30.88 3bg5 s GLN 1135CO 0.00 -0.57 1.83 -0.35 -0.55 0.00 0.00 175.29 175.66 3bg5 n PRO 1136N 3.15 2.34 -0.11 1.67 -0.04 -1.26 -1.52 135.00 139.24 3bg5 n PRO 1136Ca 0.11 0.86 -0.20 0.00 -0.04 0.00 0.00 63.50 64.22 3bg5 n PRO 1136Cb 0.39 -2.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 3bg5 n PRO 1136CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3bg5 n LEU 1137N 6.04 2.04 -4.04 1.53 4.77 0.67 -4.77 117.00 123.25 3bg5 n LEU 1137Ca 0.21 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 3bg5 n LEU 1137Cb 0.32 -0.66 -0.12 0.00 -2.33 0.00 0.00 43.42 40.63 3bg5 n LEU 1137CO 0.70 0.59 -0.40 -0.76 -1.33 0.00 0.00 177.39 176.19 3bg5 s LEU 1138N -6.82 2.20 -0.19 2.23 1.02 -1.10 -0.31 118.68 115.72 3bg5 s LEU 1138Ca -0.29 -0.45 -0.03 0.00 0.02 0.00 0.00 54.13 53.38 3bg5 s LEU 1138Cb 0.10 -0.17 -0.01 0.00 0.02 0.00 0.00 46.19 46.13 3bg5 s LEU 1138CO 0.41 -0.15 -0.07 -0.63 0.02 0.00 0.00 176.35 175.93 3bg5 s ILE 1139N -1.11 3.33 0.19 -0.59 1.01 0.11 -0.30 121.20 123.84 3bg5 s ILE 1139Ca -0.08 -0.53 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3bg5 s ILE 1139Cb -0.08 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3bg5 s ILE 1139CO 0.00 0.46 -0.05 0.42 0.00 0.00 0.00 174.94 175.77 3bg5 s THR 1140N 1.05 3.41 -0.20 2.92 -4.23 0.67 -0.19 115.64 119.07 3bg5 s THR 1140Ca 0.00 -1.63 -0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3bg5 s THR 1140Cb -0.15 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 70.99 3bg5 s THR 1140CO -0.01 -0.16 -0.15 -0.70 -0.54 0.00 0.00 174.62 173.06 3bg5 s GLU 1141N -3.03 3.01 0.00 3.99 2.12 0.06 -0.64 118.70 124.21 3bg5 s GLU 1141Ca 0.27 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.76 3bg5 s GLU 1141Cb -0.08 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.58 3bg5 s GLU 1141CO 0.17 -0.25 0.00 0.00 -0.54 0.00 0.00 175.26 174.64 3bg5 n ALA 1142N 4.65 0.00 -3.75 6.30 0.00 0.63 -1.86 120.51 126.48 3bg5 n ALA 1142Ca -0.20 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 3bg5 n ALA 1142Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 3bg5 n ALA 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bg5 s MET 1143N 0.00 1.90 -0.74 0.00 0.00 -1.26 -4.68 119.30 114.52 3bg5 s MET 1143Ca 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 55.69 52.86 3bg5 s MET 1143Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 34.83 32.05 3bg5 s MET 1143CO 0.00 -1.29 0.00 1.63 0.00 0.00 0.00 175.02 175.36 3bg5 n LYS 1144N 2.45 -1.28 -4.87 3.16 5.02 -1.26 -5.01 118.16 116.37 3bg5 n LYS 1144Ca 0.20 0.67 -0.32 0.00 -2.02 0.00 0.00 58.31 56.85 3bg5 n LYS 1144Cb 0.38 -4.79 -0.17 0.00 -0.02 0.00 0.00 35.03 30.43 3bg5 n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3bg5 s MET 1145N -2.30 2.90 -0.03 1.97 -1.94 -1.26 -5.12 119.30 113.52 3bg5 s MET 1145Ca 0.00 -0.82 -0.23 0.00 -1.71 0.00 0.00 55.69 52.93 3bg5 s MET 1145Cb 0.00 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.52 3bg5 s MET 1145CO 0.00 0.06 0.70 -1.21 -0.01 0.00 0.00 175.02 174.56 3bg5 s GLU 1146N 0.63 4.43 -0.05 2.03 2.02 -1.26 -0.27 118.70 126.23 3bg5 s GLU 1146Ca -0.12 0.90 0.04 0.00 0.02 0.00 0.00 54.97 55.81 3bg5 s GLU 1146Cb -0.16 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.66 3bg5 s GLU 1146CO 0.03 0.16 -0.17 0.99 0.02 0.00 0.00 175.26 176.30 3bg5 s THR 1147N 0.44 1.43 -0.21 3.63 2.01 0.19 -4.98 115.64 118.15 3bg5 s THR 1147Ca 0.37 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 3bg5 s THR 1147Cb -0.18 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3bg5 s THR 1147CO 0.19 0.41 0.10 0.42 -0.69 0.00 0.00 174.62 175.06 3bg5 s THR 1148N 0.22 5.01 -0.07 -0.82 -4.23 -1.26 -0.24 115.64 114.24 3bg5 s THR 1148Ca -0.08 0.05 -0.22 0.00 -1.18 0.00 0.00 61.69 60.26 3bg5 s THR 1148Cb -0.13 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 3bg5 s THR 1148CO 0.03 0.42 0.66 -0.63 -0.54 0.00 0.00 174.62 174.56 3bg5 s ILE 1149N 0.66 5.06 0.28 2.99 1.01 0.58 -4.96 121.20 126.82 3bg5 s ILE 1149Ca 0.05 1.35 0.10 0.00 0.00 0.00 0.00 60.65 62.15 3bg5 s ILE 1149Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3bg5 s ILE 1149CO 0.01 0.28 0.00 -1.10 0.00 0.00 0.00 174.94 174.13 3bg5 s GLN 1150N 0.70 2.23 0.00 2.79 -0.21 -1.26 -0.24 119.66 123.68 3bg5 s GLN 1150Ca 0.35 -1.50 -0.30 0.00 0.02 0.00 0.00 55.36 53.93 3bg5 s GLN 1150Cb -0.17 -2.11 -0.06 0.00 1.00 0.00 0.00 33.01 31.67 3bg5 s GLN 1150CO 0.17 0.30 1.40 0.00 -2.12 0.00 0.00 175.29 175.05 3bg5 s ALA 1151N -2.37 3.58 0.33 6.09 0.00 -0.58 -4.87 121.76 123.93 3bg5 s ALA 1151Ca 0.32 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.23 3bg5 s ALA 1151Cb -0.05 -3.60 0.57 0.00 0.00 0.00 0.00 23.12 20.04 3bg5 s ALA 1151CO 0.20 -0.91 1.82 -1.00 0.00 0.00 0.00 175.76 175.87 3bg5 h PRO 1152N 7.82 0.42 0.00 0.00 0.13 -1.93 0.17 132.00 138.61 3bg5 h PRO 1152Ca -0.38 -0.12 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 3bg5 h PRO 1152Cb 1.18 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3bg5 h PRO 1152CO 0.90 0.56 -0.03 1.97 -0.23 0.00 0.00 178.00 181.17 3bg5 n PHE 1153N -4.21 -1.16 -2.63 1.56 1.16 -1.26 -4.74 117.46 106.19 3bg5 n PHE 1153Ca 0.00 -1.25 -0.40 0.00 -1.87 0.00 0.00 57.45 53.93 3bg5 n PHE 1153Cb 0.32 0.35 -0.05 0.00 -1.61 0.00 0.00 39.48 38.49 3bg5 n PHE 1153CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3bg5 s ASP 1154N -2.20 7.46 0.00 5.98 1.01 -1.26 -3.63 116.67 124.03 3bg5 s ASP 1154Ca 0.15 2.06 0.00 0.00 0.71 0.00 0.00 52.55 55.47 3bg5 s ASP 1154Cb -0.01 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3bg5 s ASP 1154CO 0.11 -0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.08 3bg5 n GLY 1155N 1.54 -1.32 3.48 0.21 0.00 -1.01 -4.88 105.19 103.22 3bg5 n GLY 1155Ca -0.01 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3bg5 n GLY 1155CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bg5 s VAL 1156N -2.93 3.06 -0.31 1.61 -7.23 -1.25 -0.95 120.40 112.39 3bg5 s VAL 1156Ca 0.00 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.04 3bg5 s VAL 1156Cb 0.00 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3bg5 s VAL 1156CO 0.00 0.51 1.33 -0.63 -0.31 0.00 0.00 175.10 176.00 3bg5 s ILE 1157N -0.81 4.09 -0.10 -0.62 1.09 -0.42 -2.07 121.20 122.36 3bg5 s ILE 1157Ca 0.13 1.21 0.03 0.00 -1.10 0.00 0.00 60.65 60.92 3bg5 s ILE 1157Cb -0.11 -4.14 -0.24 0.00 -1.06 0.00 0.00 42.46 36.91 3bg5 s ILE 1157CO 0.02 -0.51 0.42 1.17 -0.10 0.00 0.00 174.94 175.95 3bg5 n LYS 1158N 7.44 0.70 -3.76 2.79 3.00 0.05 0.68 118.16 129.06 3bg5 n LYS 1158Ca 0.15 0.25 -0.12 0.00 -0.00 0.00 0.00 58.31 58.59 3bg5 n LYS 1158Cb 0.47 -1.72 -0.12 0.00 0.00 0.00 0.00 35.03 33.66 3bg5 n LYS 1158CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3bg5 s GLN 1159N -2.57 0.29 -0.32 1.64 -2.07 -1.24 -4.76 119.66 110.64 3bg5 s GLN 1159Ca -0.16 0.45 -0.06 0.00 -1.82 0.00 0.00 55.36 53.77 3bg5 s GLN 1159Cb 0.07 0.07 0.03 0.00 -1.09 0.00 0.00 33.01 32.09 3bg5 s GLN 1159CO 0.78 -0.08 0.09 0.08 -1.32 0.00 0.00 175.29 174.84 3bg5 s VAL 1160N 0.55 3.82 -0.70 3.63 1.01 -1.26 -1.89 120.40 125.55 3bg5 s VAL 1160Ca -0.03 -0.98 0.26 0.00 0.00 0.00 0.00 61.98 61.23 3bg5 s VAL 1160Cb -0.05 -3.09 0.29 0.00 0.00 0.00 0.00 36.38 33.53 3bg5 s VAL 1160CO -0.03 -0.08 1.77 0.74 0.00 0.00 0.00 175.10 177.49 3bg5 h THR 1161N 6.07 0.00 -2.63 3.92 2.02 -1.45 -3.47 112.91 117.36 3bg5 h THR 1161Ca -0.26 -0.50 -0.51 0.00 0.77 0.00 0.00 66.41 65.91 3bg5 h THR 1161Cb 1.10 1.49 -0.14 0.00 -1.74 0.00 0.00 68.15 68.85 3bg5 h THR 1161CO 0.60 0.00 -0.73 0.68 0.37 0.00 0.00 175.52 176.44 3bg5 s VAL 1162N -3.12 1.96 0.11 3.16 -7.23 -1.26 -4.86 120.40 109.17 3bg5 s VAL 1162Ca 0.10 -2.26 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 3bg5 s VAL 1162Cb 0.12 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 3bg5 s VAL 1162CO 0.59 -0.50 -0.18 0.20 -0.31 0.00 0.00 175.10 174.90 3bg5 s ASN 1163N -3.39 2.30 0.03 4.85 0.01 -1.26 -5.00 114.94 112.48 3bg5 s ASN 1163Ca 0.26 -0.73 -0.38 0.00 -0.71 0.00 0.00 52.86 51.29 3bg5 s ASN 1163Cb -0.02 -0.11 -0.18 0.00 0.41 0.00 0.00 41.25 41.35 3bg5 s ASN 1163CO 0.10 -0.02 1.26 0.59 -1.51 0.00 0.00 177.10 177.52 3bg5 n ASN 1164N 0.86 1.07 0.00 -1.22 3.02 -1.26 -1.40 115.26 116.33 3bg5 n ASN 1164Ca -0.18 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 3bg5 n ASN 1164Cb 0.55 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 3bg5 n ASN 1164CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 1165N 2.25 0.75 3.77 7.41 0.00 0.17 -5.01 105.19 114.53 3bg5 n GLY 1165Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3bg5 n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bg5 s ASP 1166N -2.50 6.11 0.20 1.61 1.11 -0.49 -4.69 116.67 118.02 3bg5 s ASP 1166Ca 0.00 2.38 -0.02 0.00 0.18 0.00 0.00 52.55 55.08 3bg5 s ASP 1166Cb 0.00 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 3bg5 s ASP 1166CO 0.00 -0.97 0.41 0.42 1.18 0.00 0.00 175.17 176.22 3bg5 s THR 1167N -1.49 5.17 0.05 -1.27 -4.23 -1.26 -0.06 115.64 112.54 3bg5 s THR 1167Ca 0.64 -0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.93 3bg5 s THR 1167Cb -0.31 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 3bg5 s THR 1167CO 0.37 -0.15 -0.04 0.27 -0.54 0.00 0.00 174.62 174.54 3bg5 s ILE 1168N -1.85 0.30 0.19 2.99 -4.36 0.22 -4.94 121.20 113.75 3bg5 s ILE 1168Ca 0.40 -1.72 0.10 0.00 -0.26 0.00 0.00 60.65 59.17 3bg5 s ILE 1168Cb -0.11 -1.39 -0.04 0.00 1.25 0.00 0.00 42.46 42.16 3bg5 s ILE 1168CO 0.28 -0.91 -0.20 0.00 0.24 0.00 0.00 174.94 174.36 3bg5 s ALA 1169N -3.54 2.23 -0.03 2.27 0.00 -1.26 -1.45 121.76 119.98 3bg5 s ALA 1169Ca 0.05 -1.59 -0.39 0.00 0.00 0.00 0.00 51.96 50.03 3bg5 s ALA 1169Cb 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 23.12 22.78 3bg5 s ALA 1169CO -0.08 0.27 1.36 2.41 0.00 0.00 0.00 175.76 179.72 3bg5 n THR 1170N 0.11 0.05 0.00 0.00 -1.04 -1.25 -1.88 114.28 110.26 3bg5 n THR 1170Ca -0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3bg5 n THR 1170Cb 0.57 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 3bg5 n THR 1170CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bg5 n GLY 1171N 2.64 1.23 3.77 3.41 0.00 -0.30 -4.94 105.19 111.00 3bg5 n GLY 1171Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3bg5 n GLY 1171CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bg5 n ASP 1172N 0.00 3.82 -4.71 1.61 10.43 -0.79 -1.07 116.55 125.84 3bg5 n ASP 1172Ca 0.00 1.22 -0.42 0.00 2.57 0.00 0.00 54.79 58.16 3bg5 n ASP 1172Cb 0.00 -1.62 -0.03 0.00 1.84 0.00 0.00 41.12 41.31 3bg5 n ASP 1172CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3bg5 s LEU 1173N -1.80 4.38 -0.11 0.64 2.96 0.13 -0.82 118.68 124.06 3bg5 s LEU 1173Ca 0.55 1.90 -0.04 0.00 -0.22 0.00 0.00 54.13 56.33 3bg5 s LEU 1173Cb -0.48 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.58 3bg5 s LEU 1173CO 0.61 -0.39 -0.13 0.18 -1.32 0.00 0.00 176.35 175.31 3bg5 n LEU 1174N 3.82 1.45 -3.83 -0.68 4.77 0.23 -4.69 117.00 118.08 3bg5 n LEU 1174Ca 0.08 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3bg5 n LEU 1174Cb 0.48 -0.35 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 3bg5 n LEU 1174CO 0.54 0.37 -0.13 -0.63 -1.33 0.00 0.00 177.39 176.21 3bg5 s ILE 1175N -2.21 0.04 -0.10 -0.08 1.01 -1.20 -1.25 121.20 117.40 3bg5 s ILE 1175Ca -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3bg5 s ILE 1175Cb 0.05 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 3bg5 s ILE 1175CO 0.21 -0.20 -0.14 -0.70 0.00 0.00 0.00 174.94 174.11 3bg5 s GLU 1176N -0.72 3.09 0.07 2.79 2.12 -0.79 -1.10 118.70 124.15 3bg5 s GLU 1176Ca -0.08 -0.70 0.05 0.00 0.36 0.00 0.00 54.97 54.59 3bg5 s GLU 1176Cb -0.05 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 3bg5 s GLU 1176CO 0.01 0.34 -0.13 0.96 -0.54 0.00 0.00 175.26 175.90 3bg5 s ILE 1177N 0.02 1.01 -2.81 -3.70 -0.00 -0.98 -0.77 121.20 113.96 3bg5 s ILE 1177Ca -0.04 -1.30 0.25 0.00 -0.00 0.00 0.00 60.65 59.56 3bg5 s ILE 1177Cb -0.14 -1.02 0.32 0.00 -0.00 0.00 0.00 42.46 41.62 3bg5 s ILE 1177CO 0.04 -0.28 1.44 -0.62 -0.00 0.00 0.00 174.94 175.52