#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3u s THR 43 N 0.00 2.34 0.56 2.03 -4.23 -1.26 -5.13 115.64 109.95 2r3u s THR 43 Ca 0.00 -1.06 -0.20 0.00 -1.18 0.00 0.00 61.69 59.25 2r3u s THR 43 Cb 0.00 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 2r3u s THR 43 CO 0.00 0.54 1.18 -2.84 -0.54 0.00 0.00 174.62 172.96 2r3u s PRO 44 N -0.77 3.21 0.25 3.99 0.02 -1.26 -4.97 135.00 135.46 2r3u s PRO 44 Ca 0.11 1.75 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2r3u s PRO 44 Cb -0.10 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 2r3u s PRO 44 CO 0.00 -1.00 1.41 0.00 -0.33 0.00 0.00 177.00 177.08 2r3u s ALA 45 N -1.65 3.60 0.04 -1.55 0.00 -1.26 -4.98 121.76 115.97 2r3u s ALA 45 Ca 0.74 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 53.73 2r3u s ALA 45 Cb -0.28 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.37 2r3u s ALA 45 CO 0.31 -0.70 0.59 0.45 0.00 0.00 0.00 175.76 176.42 2r3u s SER 46 N 0.29 -0.55 -0.29 0.00 0.15 -1.26 -4.99 113.70 107.06 2r3u s SER 46 Ca 0.58 0.31 0.08 0.00 0.70 0.00 0.00 55.95 57.62 2r3u s SER 46 Cb -0.41 0.54 0.45 0.00 -1.71 0.00 0.00 66.02 64.89 2r3u s SER 46 CO 0.43 -0.75 1.26 -1.22 1.20 0.00 0.00 173.24 174.16 2r3u n TYR 47 N 0.37 1.90 0.13 3.44 0.53 -1.26 -4.72 117.16 117.55 2r3u n TYR 47 Ca -0.18 -2.02 -0.01 0.00 -1.02 0.00 0.00 57.90 54.67 2r3u n TYR 47 Cb 0.60 -0.38 0.15 0.00 -1.03 0.00 0.00 39.34 38.68 2r3u n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.02 0.00 0.00 176.86 174.87 2r3u h ASN 48 N 1.76 0.00 0.16 7.72 -0.00 -1.94 -2.96 115.58 120.32 2r3u h ASN 48 Ca 0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.51 2r3u h ASN 48 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.68 2r3u h ASN 48 CO 0.57 0.63 -0.23 0.25 -0.00 0.00 0.00 177.43 178.65 2r3u h LEU 49 N 0.00 0.12 0.04 0.34 5.85 -1.87 -1.29 115.31 118.51 2r3u h LEU 49 Ca -0.01 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.48 2r3u h LEU 49 Cb 1.18 -0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.20 2r3u h LEU 49 CO 0.08 0.36 -0.81 0.00 -0.34 0.00 0.00 178.44 177.73 2r3u h ALA 50 N 1.65 0.04 -0.99 1.25 0.00 -1.68 -3.12 119.26 116.42 2r3u h ALA 50 Ca 0.02 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2r3u h ALA 50 Cb 0.47 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2r3u h ALA 50 CO 0.03 0.47 0.65 0.28 0.00 0.00 0.00 179.25 180.67 2r3u h VAL 51 N 0.00 1.15 -0.00 0.00 2.07 -1.33 -1.60 116.25 116.54 2r3u h VAL 51 Ca -0.11 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 2r3u h VAL 51 Cb 1.53 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2r3u h VAL 51 CO 0.16 0.22 -0.54 0.03 0.02 0.00 0.00 177.57 177.47 2r3u h ARG 52 N 1.23 0.01 0.00 1.57 3.08 -1.30 -1.12 114.38 117.85 2r3u h ARG 52 Ca 0.40 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 60.23 2r3u h ARG 52 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2r3u h ARG 52 CO -0.13 0.54 -1.21 0.00 -1.07 0.00 0.00 179.97 178.11 2r3u h ARG 53 N 0.01 0.00 0.00 0.04 3.08 -1.39 -3.42 114.38 112.69 2r3u h ARG 53 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2r3u h ARG 53 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 2r3u h ARG 53 CO 0.07 0.67 -1.64 0.00 -1.07 0.00 0.00 179.97 178.00 2r3u n ALA 54 N -2.40 1.76 -0.32 0.04 0.00 -0.64 -4.44 120.51 114.50 2r3u n ALA 54 Ca -0.06 -0.50 0.18 0.00 0.00 0.00 0.00 53.44 53.07 2r3u n ALA 54 Cb 0.93 0.22 0.37 0.00 0.00 0.00 0.00 19.45 20.97 2r3u n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r3u h ALA 55 N 0.05 1.49 0.00 0.00 0.00 -1.39 0.52 119.26 119.92 2r3u h ALA 55 Ca -0.25 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r3u h ALA 55 Cb 1.41 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2r3u h ALA 55 CO -0.03 -0.62 -0.07 -1.35 0.00 0.00 0.00 179.25 177.18 2r3u h PRO 56 N 0.10 0.00 -0.02 0.00 0.11 -1.83 -2.37 132.00 128.00 2r3u h PRO 56 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 2r3u h PRO 56 Cb 1.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.55 2r3u h PRO 56 CO -0.77 0.07 -0.08 0.00 -0.21 0.00 0.00 178.00 177.02 2r3u n ALA 57 N -2.31 2.71 -2.62 -0.75 0.00 0.17 -4.60 120.51 113.11 2r3u n ALA 57 Ca -0.02 -0.48 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 2r3u n ALA 57 Cb 0.17 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 2r3u n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2r3u s VAL 58 N -2.13 5.20 0.30 0.00 1.01 -0.89 -0.41 120.40 123.49 2r3u s VAL 58 Ca 0.33 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2r3u s VAL 58 Cb 0.20 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2r3u s VAL 58 CO 0.38 0.18 0.40 0.68 0.00 0.00 0.00 175.10 176.74 2r3u s VAL 59 N 1.73 4.35 -0.23 2.92 -7.23 0.31 -4.55 120.40 117.71 2r3u s VAL 59 Ca 0.07 -1.07 -0.13 0.00 -1.81 0.00 0.00 61.98 59.03 2r3u s VAL 59 Cb -0.16 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2r3u s VAL 59 CO 0.10 -0.22 0.30 0.20 -0.31 0.00 0.00 175.10 175.17 2r3u s ASN 60 N -4.07 6.26 -0.04 4.85 0.02 -0.16 -1.53 114.94 120.28 2r3u s ASN 60 Ca 0.41 0.30 -0.01 0.00 -1.02 0.00 0.00 52.86 52.54 2r3u s ASN 60 Cb -0.09 -2.18 -0.04 0.00 0.02 0.00 0.00 41.25 38.97 2r3u s ASN 60 CO 0.29 -0.04 0.03 -0.69 0.02 0.00 0.00 177.10 176.71 2r3u s VAL 61 N 1.39 4.41 -0.01 1.60 1.01 -0.50 -0.54 120.40 127.76 2r3u s VAL 61 Ca 0.13 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2r3u s VAL 61 Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2r3u s VAL 61 CO 0.07 0.47 -0.08 -0.31 0.00 0.00 0.00 175.10 175.25 2r3u s TYR 62 N -1.04 0.68 -0.31 5.22 1.51 -0.08 -0.84 117.35 122.49 2r3u s TYR 62 Ca 0.18 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.07 2r3u s TYR 62 Cb -0.12 -0.44 0.04 0.00 -0.11 0.00 0.00 41.96 41.34 2r3u s TYR 62 CO 0.08 -0.01 0.04 1.21 -1.11 0.00 0.00 175.55 175.76 2r3u s ASN 63 N -0.18 5.03 -0.14 2.29 3.04 0.03 -1.60 114.94 123.42 2r3u s ASN 63 Ca 0.03 -1.19 -0.04 0.00 0.04 0.00 0.00 52.86 51.69 2r3u s ASN 63 Cb -0.03 -1.77 -0.03 0.00 -1.54 0.00 0.00 41.25 37.87 2r3u s ASN 63 CO -0.00 -0.28 0.01 -0.13 -3.04 0.00 0.00 177.10 173.66 2r3u s ARG 64 N 1.32 3.52 0.08 0.43 0.52 -0.36 0.61 118.95 125.07 2r3u s ARG 64 Ca -0.04 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 2r3u s ARG 64 Cb -0.19 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 2r3u s ARG 64 CO 0.00 0.43 -0.06 0.20 0.02 0.00 0.00 175.30 175.89 2r3u s GLY 65 N -0.12 0.68 0.39 -3.53 0.00 0.60 -1.32 107.32 104.03 2r3u s GLY 65 Ca 0.05 -1.24 -0.28 0.00 0.00 0.00 0.00 44.72 43.25 2r3u s GLY 65 CO 0.02 -1.34 1.49 1.08 0.00 0.00 0.00 173.10 174.34 2r3u s LEU 66 N -2.82 4.28 -0.99 0.66 2.01 -1.26 -1.70 118.68 118.87 2r3u s LEU 66 Ca 0.08 3.05 -0.04 0.00 0.01 0.00 0.00 54.13 57.23 2r3u s LEU 66 Cb 0.04 -3.71 0.25 0.00 0.01 0.00 0.00 46.19 42.78 2r3u s LEU 66 CO -0.05 -0.94 0.94 -3.20 1.01 0.00 0.00 176.35 174.11 2r3u n ASN 67 N 0.35 4.78 0.00 2.29 5.15 -1.26 -4.88 115.26 121.69 2r3u n ASN 67 Ca 0.02 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.88 2r3u n ASN 67 Cb 0.39 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.47 2r3u n ASN 67 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2r3u n ASN 72 N 2.38 0.00 -3.51 1.20 6.94 -1.26 -5.10 115.26 115.91 2r3u n ASN 72 Ca 0.23 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.66 2r3u n ASN 72 Cb 0.38 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.69 2r3u n ASN 72 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2r3u s GLN 73 N 0.00 0.24 0.05 -3.83 0.74 -1.26 -5.18 119.66 110.42 2r3u s GLN 73 Ca 0.00 0.53 -0.09 0.00 0.05 0.00 0.00 55.36 55.85 2r3u s GLN 73 Cb 0.00 -0.53 -0.05 0.00 1.10 0.00 0.00 33.01 33.53 2r3u s GLN 73 CO 0.00 -0.52 0.36 -0.51 -0.55 0.00 0.00 175.29 174.08 2r3u s LEU 74 N 2.45 4.37 0.23 3.68 1.02 -1.26 -4.62 118.68 124.54 2r3u s LEU 74 Ca 0.06 0.75 -0.05 0.00 0.02 0.00 0.00 54.13 54.91 2r3u s LEU 74 Cb -0.14 -2.85 -0.03 0.00 0.02 0.00 0.00 46.19 43.19 2r3u s LEU 74 CO -0.12 0.21 0.27 -1.83 0.02 0.00 0.00 176.35 174.90 2r3u s GLU 75 N -1.78 1.37 -0.40 1.70 -1.05 -0.69 -4.92 118.70 112.94 2r3u s GLU 75 Ca 0.30 -1.52 -0.25 0.00 -0.15 0.00 0.00 54.97 53.36 2r3u s GLU 75 Cb -0.14 0.35 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2r3u s GLU 75 CO 0.17 -0.50 0.88 0.42 0.95 0.00 0.00 175.26 177.17 2r3u s ILE 76 N -4.04 4.60 -0.02 1.83 1.01 -1.26 -0.29 121.20 123.03 2r3u s ILE 76 Ca 0.33 0.94 -0.20 0.00 0.00 0.00 0.00 60.65 61.72 2r3u s ILE 76 Cb 0.04 -4.33 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 2r3u s ILE 76 CO 0.12 -0.60 0.82 0.08 0.00 0.00 0.00 174.94 175.36 2r3u h ARG 77 N 8.68 -0.59 -4.29 2.79 -0.00 -0.18 -3.48 114.38 117.31 2r3u h ARG 77 Ca -0.24 0.04 -0.17 0.00 -0.00 0.00 0.00 59.98 59.61 2r3u h ARG 77 Cb 1.08 0.13 -0.14 0.00 -0.00 0.00 0.00 29.97 31.04 2r3u h ARG 77 CO 0.97 -0.34 -0.55 0.95 -0.00 0.00 0.00 179.97 181.00 2r3u s THR 78 N -3.79 0.08 0.02 0.08 -4.23 -1.23 -5.03 115.64 101.53 2r3u s THR 78 Ca -0.11 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2r3u s THR 78 Cb 0.01 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 2r3u s THR 78 CO 0.33 -0.35 -0.03 -1.48 -0.54 0.00 0.00 174.62 172.56 2r3u s LEU 79 N -3.04 2.17 0.00 4.79 2.34 -1.26 -0.79 118.68 122.89 2r3u s LEU 79 Ca 0.24 -0.36 0.00 0.00 0.06 0.00 0.00 54.13 54.07 2r3u s LEU 79 Cb 0.06 0.04 0.00 0.00 -0.56 0.00 0.00 46.19 45.73 2r3u s LEU 79 CO 0.03 -0.20 0.00 0.61 -1.06 0.00 0.00 176.35 175.73 2r3u n GLY 80 N 2.03 5.07 3.34 -3.48 0.00 -0.02 -3.87 105.19 108.26 2r3u n GLY 80 Ca -0.20 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 2r3u n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r3u s SER 81 N 1.26 0.40 0.18 1.61 0.01 0.59 -1.41 113.70 116.35 2r3u s SER 81 Ca 0.00 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 55.77 2r3u s SER 81 Cb 0.00 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2r3u s SER 81 CO 0.00 -1.00 0.46 -0.83 0.41 0.00 0.00 173.24 172.28 2r3u s GLY 82 N -3.16 0.04 -0.21 3.44 0.00 -0.58 -3.91 107.32 102.94 2r3u s GLY 82 Ca 0.34 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.69 2r3u s GLY 82 CO 0.14 -0.41 -0.10 0.14 0.00 0.00 0.00 173.10 172.88 2r3u s VAL 83 N -3.89 1.68 -0.17 1.40 1.01 -0.40 -0.53 120.40 119.50 2r3u s VAL 83 Ca 0.11 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 2r3u s VAL 83 Cb 0.00 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2r3u s VAL 83 CO -0.02 0.14 2.01 -0.63 0.00 0.00 0.00 175.10 176.59 2r3u s ILE 84 N 1.37 3.18 0.07 2.22 1.01 0.45 -2.26 121.20 127.24 2r3u s ILE 84 Ca -0.02 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.77 2r3u s ILE 84 Cb -0.17 -3.19 -0.28 0.00 0.01 0.00 0.00 42.46 38.82 2r3u s ILE 84 CO -0.08 -0.10 1.14 0.24 0.00 0.00 0.00 174.94 176.15 2r3u h MET 85 N 13.00 0.29 -3.03 2.79 2.86 -1.00 -2.63 114.93 127.22 2r3u h MET 85 Ca -0.41 -0.49 0.02 0.00 -2.06 0.00 0.00 59.70 56.76 2r3u h MET 85 Cb 1.22 0.18 -0.09 0.00 0.06 0.00 0.00 31.60 32.97 2r3u h MET 85 CO 0.97 1.23 0.20 0.16 1.06 0.00 0.00 176.91 180.53 2r3u s ASP 86 N -7.17 -0.40 0.00 1.22 3.84 -1.25 -4.58 116.67 108.34 2r3u s ASP 86 Ca -0.04 -0.33 0.01 0.00 -0.00 0.00 0.00 52.55 52.19 2r3u s ASP 86 Cb 0.07 0.66 0.08 0.00 -1.38 0.00 0.00 42.92 42.35 2r3u s ASP 86 CO 0.89 -1.15 0.39 0.00 -0.00 0.00 0.00 175.17 175.29 2r3u n GLN 87 N -0.41 0.29 0.00 2.11 6.02 -1.26 -2.21 117.38 121.91 2r3u n GLN 87 Ca -0.10 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.01 2r3u n GLN 87 Cb 0.62 -1.07 0.35 0.00 1.02 0.00 0.00 30.24 31.16 2r3u n GLN 87 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2r3u n ARG 88 N -0.57 0.54 -0.10 -1.09 1.74 -1.26 -4.80 116.66 111.11 2r3u n ARG 88 Ca 0.01 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2r3u n ARG 88 Cb 0.00 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 2r3u n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r3u n GLY 89 N 1.39 0.94 3.68 -0.13 0.00 -0.94 -4.75 105.19 105.39 2r3u n GLY 89 Ca 0.10 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2r3u n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r3u s TYR 90 N -2.00 3.48 0.09 1.61 1.51 -1.25 -0.62 117.35 120.17 2r3u s TYR 90 Ca 0.00 1.38 0.10 0.00 -1.01 0.00 0.00 57.07 57.54 2r3u s TYR 90 Cb 0.00 -3.04 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 2r3u s TYR 90 CO 0.00 -0.17 -0.26 0.42 -1.11 0.00 0.00 175.55 174.43 2r3u s ILE 91 N 1.84 2.14 -0.15 2.71 1.01 -0.49 -0.31 121.20 127.94 2r3u s ILE 91 Ca 0.42 -1.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 2r3u s ILE 91 Cb -0.17 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2r3u s ILE 91 CO 0.16 0.20 -0.11 -0.63 0.00 0.00 0.00 174.94 174.56 2r3u s ILE 92 N -0.95 3.17 0.00 2.92 1.01 -0.96 -0.09 121.20 126.30 2r3u s ILE 92 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2r3u s ILE 92 Cb -0.10 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.02 2r3u s ILE 92 CO 0.04 0.51 0.00 1.07 0.00 0.00 0.00 174.94 176.56 2r3u n THR 93 N 3.75 0.00 -3.68 2.92 5.66 -0.05 -1.27 114.28 121.61 2r3u n THR 93 Ca -0.18 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.45 2r3u n THR 93 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 2r3u n THR 93 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2r3u s ASN 94 N -0.18 6.56 0.28 1.09 2.47 -1.26 -2.01 114.94 121.88 2r3u s ASN 94 Ca 0.00 0.66 0.01 0.00 0.42 0.00 0.00 52.86 53.96 2r3u s ASN 94 Cb 0.00 -2.16 0.41 0.00 -1.45 0.00 0.00 41.25 38.05 2r3u s ASN 94 CO 0.00 0.33 1.74 0.50 -3.72 0.00 0.00 177.10 175.95 2r3u h LYS 95 N 5.13 0.56 0.00 0.43 3.64 -1.34 -2.60 116.57 122.39 2r3u h LYS 95 Ca -0.52 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 58.67 2r3u h LYS 95 Cb 1.22 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2r3u h LYS 95 CO 0.62 0.71 -0.02 1.12 -2.27 0.00 0.00 179.45 179.61 2r3u h HIS 96 N 0.51 0.00 0.00 1.91 2.07 -1.95 -2.37 115.15 115.32 2r3u h HIS 96 Ca 0.08 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.42 2r3u h HIS 96 Cb 0.59 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.55 2r3u h HIS 96 CO 0.02 0.02 -0.85 0.28 -3.07 0.00 0.00 177.93 174.33 2r3u h VAL 97 N 0.00 1.54 -0.25 6.12 2.07 -1.86 -3.30 116.25 120.57 2r3u h VAL 97 Ca -0.00 -2.70 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2r3u h VAL 97 Cb 0.70 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2r3u h VAL 97 CO 0.00 0.78 0.00 2.30 0.02 0.00 0.00 177.57 180.67 2r3u n ILE 98 N -3.62 1.87 -2.72 4.57 -6.64 -1.17 -4.49 119.36 107.16 2r3u n ILE 98 Ca -0.02 -1.64 -0.41 0.00 -1.77 0.00 0.00 62.75 58.90 2r3u n ILE 98 Cb 0.80 -0.03 -0.04 0.00 -1.44 0.00 0.00 39.64 38.93 2r3u n ILE 98 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 2r3u s ASN 99 N -1.73 7.46 -1.14 7.28 2.47 -0.90 -3.76 114.94 124.63 2r3u s ASN 99 Ca 0.35 1.76 -0.05 0.00 0.42 0.00 0.00 52.86 55.33 2r3u s ASN 99 Cb 0.27 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.45 2r3u s ASN 99 CO 0.10 -0.12 0.90 0.47 -3.72 0.00 0.00 177.10 174.72 2r3u n ASP 100 N 3.11 -4.45 -4.50 -4.21 8.00 -1.26 -5.00 116.55 108.24 2r3u n ASP 100 Ca 0.03 -0.73 -0.34 0.00 0.71 0.00 0.00 54.79 54.46 2r3u n ASP 100 Cb 0.50 -4.84 -0.12 0.00 -0.02 0.00 0.00 41.12 36.64 2r3u n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r3u s ALA 101 N -3.43 3.06 0.04 2.24 0.00 -1.25 -4.92 121.76 117.50 2r3u s ALA 101 Ca 0.27 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 2r3u s ALA 101 Cb -0.05 -1.64 -0.34 0.00 0.00 0.00 0.00 23.12 21.09 2r3u s ALA 101 CO 0.76 0.14 1.03 -0.44 0.00 0.00 0.00 175.76 177.24 2r3u h ASP 102 N 6.86 0.73 -3.55 0.00 3.32 -1.83 -3.45 116.42 118.49 2r3u h ASP 102 Ca -0.33 -0.79 -0.28 0.00 0.02 0.00 0.00 57.03 55.66 2r3u h ASP 102 Cb 1.19 -0.24 -0.32 0.00 0.22 0.00 0.00 39.33 40.17 2r3u h ASP 102 CO 0.63 1.62 -0.70 -1.58 -1.72 0.00 0.00 179.24 177.49 2r3u s GLN 103 N -2.61 -0.01 -0.25 3.56 0.74 -0.43 -5.02 119.66 115.63 2r3u s GLN 103 Ca -0.08 0.19 -0.05 0.00 0.05 0.00 0.00 55.36 55.47 2r3u s GLN 103 Cb 0.05 -0.19 -0.00 0.00 1.10 0.00 0.00 33.01 33.97 2r3u s GLN 103 CO 0.93 -0.14 0.00 0.42 -0.55 0.00 0.00 175.29 175.95 2r3u s ILE 104 N 0.88 3.60 -0.21 -2.34 1.01 -1.26 -1.23 121.20 121.66 2r3u s ILE 104 Ca -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 2r3u s ILE 104 Cb -0.10 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 2r3u s ILE 104 CO -0.03 0.30 -0.02 -0.63 0.00 0.00 0.00 174.94 174.57 2r3u s ILE 105 N 1.49 3.67 -0.20 2.92 -1.09 -0.62 -1.16 121.20 126.21 2r3u s ILE 105 Ca 0.04 -0.40 -0.06 0.00 -2.23 0.00 0.00 60.65 58.00 2r3u s ILE 105 Cb -0.15 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 2r3u s ILE 105 CO -0.01 0.42 0.04 -0.69 -1.23 0.00 0.00 174.94 173.47 2r3u s VAL 106 N 1.24 4.38 -0.20 2.92 1.01 0.29 -0.90 120.40 129.14 2r3u s VAL 106 Ca 0.03 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2r3u s VAL 106 Cb -0.14 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.29 2r3u s VAL 106 CO -0.00 0.43 -0.11 0.00 0.00 0.00 0.00 175.10 175.42 2r3u s ALA 107 N 0.77 2.06 0.96 5.51 0.00 0.30 0.41 121.76 131.78 2r3u s ALA 107 Ca 0.02 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 2r3u s ALA 107 Cb -0.14 -1.29 0.17 0.00 0.00 0.00 0.00 23.12 21.86 2r3u s ALA 107 CO 0.02 -0.81 1.15 -0.51 0.00 0.00 0.00 175.76 175.61 2r3u s LEU 108 N 1.37 1.87 0.32 0.00 1.43 0.10 -0.98 118.68 122.78 2r3u s LEU 108 Ca -0.01 0.88 0.17 0.00 -1.03 0.00 0.00 54.13 54.13 2r3u s LEU 108 Cb -0.16 -3.09 0.35 0.00 0.03 0.00 0.00 46.19 43.31 2r3u s LEU 108 CO -0.08 -2.82 1.57 1.56 0.23 0.00 0.00 176.35 176.81 2r3u h GLN 109 N -1.68 0.00 -0.36 1.70 1.08 -1.81 -3.19 115.11 110.85 2r3u h GLN 109 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2r3u h GLN 109 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 2r3u h GLN 109 CO 0.56 0.47 0.00 -0.40 -0.95 0.00 0.00 178.83 178.51 2r3u n ASP 110 N -3.37 0.45 0.00 1.46 5.68 -1.26 -4.87 116.55 114.64 2r3u n ASP 110 Ca 0.01 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 2r3u n ASP 110 Cb 0.64 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 2r3u n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2r3u n GLY 111 N 0.35 3.08 3.71 6.12 0.00 -1.21 -5.04 105.19 112.20 2r3u n GLY 111 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2r3u n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3u s ARG 112 N -0.21 4.13 -0.17 1.61 0.52 -1.26 -4.82 118.95 118.75 2r3u s ARG 112 Ca 0.00 2.59 0.01 0.00 -0.52 0.00 0.00 55.73 57.81 2r3u s ARG 112 Cb 0.00 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2r3u s ARG 112 CO 0.00 -0.77 -0.17 0.08 0.02 0.00 0.00 175.30 174.46 2r3u s VAL 113 N 1.56 2.38 0.19 3.52 1.01 -1.26 -0.72 120.40 127.08 2r3u s VAL 113 Ca 0.76 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.99 2r3u s VAL 113 Cb -0.48 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2r3u s VAL 113 CO 0.33 0.52 -0.12 -0.36 0.00 0.00 0.00 175.10 175.47 2r3u s PHE 114 N 1.06 2.55 -0.23 5.22 0.40 0.17 -4.98 117.98 122.16 2r3u s PHE 114 Ca -0.01 -0.25 -0.09 0.00 -0.60 0.00 0.00 56.93 55.97 2r3u s PHE 114 Cb -0.14 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2r3u s PHE 114 CO -0.05 0.53 0.12 -2.00 0.70 0.00 0.00 175.22 174.51 2r3u s GLU 115 N -2.88 3.97 0.34 0.44 2.12 -1.26 -0.55 118.70 120.87 2r3u s GLU 115 Ca 0.25 -0.33 0.07 0.00 0.36 0.00 0.00 54.97 55.32 2r3u s GLU 115 Cb -0.08 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 2r3u s GLU 115 CO 0.14 0.05 0.31 0.00 -0.54 0.00 0.00 175.26 175.23 2r3u s ALA 116 N 1.03 3.88 -0.09 6.30 0.00 -0.31 -4.73 121.76 127.84 2r3u s ALA 116 Ca 0.06 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2r3u s ALA 116 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2r3u s ALA 116 CO 0.04 0.00 -0.16 -1.17 0.00 0.00 0.00 175.76 174.47 2r3u s LEU 117 N -4.01 2.60 -0.37 0.00 1.98 -0.37 -4.53 118.68 113.96 2r3u s LEU 117 Ca 0.41 -0.32 -0.28 0.00 -2.89 0.00 0.00 54.13 51.05 2r3u s LEU 117 Cb -0.06 -1.55 0.02 0.00 0.66 0.00 0.00 46.19 45.26 2r3u s LEU 117 CO 0.27 0.23 1.04 -0.22 -1.89 0.00 0.00 176.35 175.78 2r3u s LEU 118 N -0.07 3.89 0.10 -0.68 0.20 -1.26 -1.04 118.68 119.81 2r3u s LEU 118 Ca -0.03 0.75 0.12 0.00 0.69 0.00 0.00 54.13 55.66 2r3u s LEU 118 Cb -0.14 -3.44 -0.15 0.00 -0.43 0.00 0.00 46.19 42.03 2r3u s LEU 118 CO 0.04 -0.95 1.08 -0.37 -0.29 0.00 0.00 176.35 175.85 2r3u h VAL 119 N 5.87 1.13 0.00 1.68 -1.51 -1.32 -3.49 116.25 118.61 2r3u h VAL 119 Ca -0.22 -2.78 0.00 0.00 -1.23 0.00 0.00 66.70 62.47 2r3u h VAL 119 Cb 1.07 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 2r3u h VAL 119 CO 1.04 0.65 0.00 0.61 -1.23 0.00 0.00 177.57 178.63 2r3u n GLY 120 N 1.39 3.77 3.46 5.19 0.00 -1.18 -4.94 105.19 112.88 2r3u n GLY 120 Ca -0.06 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 2r3u n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r3u s SER 121 N 0.00 2.94 -0.12 1.61 1.04 -1.26 -0.15 113.70 117.77 2r3u s SER 121 Ca 0.00 -1.22 0.02 0.00 0.48 0.00 0.00 55.95 55.22 2r3u s SER 121 Cb 0.00 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.93 2r3u s SER 121 CO 0.00 -0.36 -0.16 -0.62 0.98 0.00 0.00 173.24 173.09 2r3u s ASP 122 N -3.49 2.54 -0.02 7.02 2.15 0.51 -4.94 116.67 120.43 2r3u s ASP 122 Ca 0.31 -0.45 -0.25 0.00 0.43 0.00 0.00 52.55 52.59 2r3u s ASP 122 Cb 0.04 -1.14 -0.19 0.00 -0.30 0.00 0.00 42.92 41.34 2r3u s ASP 122 CO 0.13 0.01 1.20 0.28 -0.17 0.00 0.00 175.17 176.63 2r3u h SER 123 N 7.50 -0.09 -0.90 -0.34 0.02 -1.95 0.17 113.55 117.96 2r3u h SER 123 Ca -0.32 -0.41 0.24 0.00 -0.84 0.00 0.00 61.79 60.46 2r3u h SER 123 Cb 1.17 0.02 -0.13 0.00 0.14 0.00 0.00 62.40 63.60 2r3u h SER 123 CO 0.50 0.38 0.36 -0.07 -1.14 0.00 0.00 176.83 176.86 2r3u h LEU 124 N -0.59 0.22 0.00 5.07 3.38 -1.97 -2.14 115.31 119.29 2r3u h LEU 124 Ca -0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2r3u h LEU 124 Cb 0.49 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2r3u h LEU 124 CO 0.02 -0.08 -1.02 0.35 0.09 0.00 0.00 178.44 177.80 2r3u n THR 125 N -5.12 0.00 -2.35 0.22 -2.24 -1.25 -5.00 114.28 98.54 2r3u n THR 125 Ca 0.23 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 2r3u n THR 125 Cb 0.72 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 2r3u n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2r3u n ASP 126 N -1.55 -3.57 -4.92 3.42 2.03 0.52 -4.99 116.55 107.50 2r3u n ASP 126 Ca 0.02 -0.06 -0.26 0.00 0.52 0.00 0.00 54.79 55.01 2r3u n ASP 126 Cb 0.30 -2.70 -0.04 0.00 -0.72 0.00 0.00 41.12 37.97 2r3u n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2r3u s LEU 127 N -3.17 4.24 0.02 -2.67 1.43 -0.70 -1.13 118.68 116.69 2r3u s LEU 127 Ca 0.05 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2r3u s LEU 127 Cb -0.02 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 2r3u s LEU 127 CO 0.07 0.06 -0.03 0.00 0.23 0.00 0.00 176.35 176.68 2r3u s ALA 128 N -1.74 0.11 -0.13 4.21 0.00 -0.85 0.19 121.76 123.55 2r3u s ALA 128 Ca 0.34 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.83 2r3u s ALA 128 Cb -0.11 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2r3u s ALA 128 CO 0.27 -0.13 -0.22 0.08 0.00 0.00 0.00 175.76 175.76 2r3u s VAL 129 N -1.21 2.06 0.43 0.00 1.01 0.79 -0.87 120.40 122.62 2r3u s VAL 129 Ca -0.13 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 60.94 2r3u s VAL 129 Cb -0.08 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.49 2r3u s VAL 129 CO -0.01 0.55 0.51 -0.76 0.00 0.00 0.00 175.10 175.40 2r3u s LEU 130 N 0.74 3.50 -0.11 3.92 1.43 0.87 -0.89 118.68 128.15 2r3u s LEU 130 Ca -0.09 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 2r3u s LEU 130 Cb -0.16 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.77 2r3u s LEU 130 CO -0.00 -0.77 0.24 -0.75 0.23 0.00 0.00 176.35 175.29 2r3u s LYS 131 N -4.29 0.17 0.26 1.70 2.47 -0.21 -1.39 119.74 118.44 2r3u s LYS 131 Ca 0.53 0.57 0.11 0.00 -1.56 0.00 0.00 55.97 55.62 2r3u s LYS 131 Cb -0.07 -0.11 -0.05 0.00 -1.46 0.00 0.00 37.83 36.14 2r3u s LYS 131 CO 0.31 -0.20 -0.20 0.96 0.16 0.00 0.00 175.35 176.38 2r3u s ILE 132 N 1.62 2.35 -0.87 5.43 -4.36 0.20 -1.24 121.20 124.34 2r3u s ILE 132 Ca -0.06 -2.33 -0.05 0.00 -0.26 0.00 0.00 60.65 57.95 2r3u s ILE 132 Cb -0.11 -2.24 0.22 0.00 1.25 0.00 0.00 42.46 41.58 2r3u s ILE 132 CO -0.08 -0.39 0.77 0.20 0.24 0.00 0.00 174.94 175.68 2r3u s ASN 133 N -3.37 6.22 0.02 4.36 0.02 -1.26 -4.41 114.94 116.52 2r3u s ASN 133 Ca 0.28 -3.35 -0.12 0.00 -1.02 0.00 0.00 52.86 48.64 2r3u s ASN 133 Cb -0.05 -2.00 -0.06 0.00 0.02 0.00 0.00 41.25 39.16 2r3u s ASN 133 CO 0.13 -0.31 0.38 0.00 0.02 0.00 0.00 177.10 177.33 2r3u s ALA 134 N -0.82 3.72 0.00 0.60 0.00 -1.26 -4.98 121.76 119.02 2r3u s ALA 134 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2r3u s ALA 134 Cb -0.11 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2r3u s ALA 134 CO -0.09 0.52 0.00 2.41 0.00 0.00 0.00 175.76 178.60 2r3u n THR 135 N 1.52 0.00 1.25 0.00 -1.04 -1.26 -4.73 114.28 110.01 2r3u n THR 135 Ca -0.12 -0.03 0.11 0.00 -2.04 0.00 0.00 64.05 61.97 2r3u n THR 135 Cb 0.53 0.51 0.39 0.00 -1.82 0.00 0.00 70.33 69.93 2r3u n THR 135 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2r3u n GLY 136 N 2.33 0.27 0.00 3.41 0.00 -1.26 -5.01 105.19 104.92 2r3u n GLY 136 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2r3u n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3u n GLY 137 N 1.14 1.65 3.53 -0.02 0.00 -1.26 -5.08 105.19 105.14 2r3u n GLY 137 Ca 0.16 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 2r3u n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2r3u s LEU 138 N 0.00 3.00 -0.06 0.99 1.43 -1.26 -5.10 118.68 117.68 2r3u s LEU 138 Ca 0.00 -0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.71 2r3u s LEU 138 Cb 0.00 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2r3u s LEU 138 CO 0.00 0.33 0.93 -2.16 0.23 0.00 0.00 176.35 175.69 2r3u s PRO 139 N -0.63 4.47 0.27 1.29 0.04 -1.26 -4.76 135.00 134.41 2r3u s PRO 139 Ca 0.09 1.29 0.09 0.00 0.04 0.00 0.00 61.00 62.51 2r3u s PRO 139 Cb -0.11 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 2r3u s PRO 139 CO 0.01 -0.15 0.06 0.95 0.04 0.00 0.00 177.00 177.91 2r3u s THR 140 N 1.44 3.66 0.10 1.26 -4.23 -1.26 -4.34 115.64 112.27 2r3u s THR 140 Ca 0.47 -1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 58.91 2r3u s THR 140 Cb -0.19 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.60 2r3u s THR 140 CO 0.22 -0.35 0.95 -0.51 -0.54 0.00 0.00 174.62 174.38 2r3u s ILE 141 N -2.29 4.54 0.27 2.99 1.10 -0.99 -4.67 121.20 122.15 2r3u s ILE 141 Ca 0.32 2.05 -0.29 0.00 -0.51 0.00 0.00 60.65 62.22 2r3u s ILE 141 Cb -0.06 -4.31 -0.10 0.00 0.15 0.00 0.00 42.46 38.13 2r3u s ILE 141 CO 0.21 0.31 1.36 -2.84 -2.11 0.00 0.00 174.94 171.87 2r3u s PRO 142 N 0.06 4.32 -0.01 3.50 0.02 -1.26 -4.95 135.00 136.68 2r3u s PRO 142 Ca 0.47 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.73 2r3u s PRO 142 Cb -0.23 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2r3u s PRO 142 CO 0.29 -0.29 -0.06 0.42 -0.33 0.00 0.00 177.00 177.03 2r3u s ILE 143 N -0.46 0.55 -0.43 2.83 1.01 -1.26 -1.49 121.20 121.94 2r3u s ILE 143 Ca 0.54 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.96 2r3u s ILE 143 Cb -0.40 -0.48 0.13 0.00 0.01 0.00 0.00 42.46 41.72 2r3u s ILE 143 CO 0.46 0.17 0.22 0.21 0.00 0.00 0.00 174.94 176.00 2r3u s ASN 144 N 0.07 3.79 0.64 3.58 3.84 -1.26 -4.96 114.94 120.63 2r3u s ASN 144 Ca -0.01 -2.53 0.41 0.00 0.21 0.00 0.00 52.86 50.94 2r3u s ASN 144 Cb -0.05 -1.09 2.23 0.00 -0.55 0.00 0.00 41.25 41.79 2r3u s ASN 144 CO -0.00 -0.28 2.26 0.00 -2.79 0.00 0.00 177.10 176.28 2r3u h ALA 145 N 6.89 1.04 0.00 1.71 0.00 -1.98 -1.72 119.26 125.19 2r3u h ALA 145 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2r3u h ALA 145 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2r3u h ALA 145 CO 0.50 -0.04 -0.60 0.00 0.00 0.00 0.00 179.25 179.11 2r3u h ARG 146 N 0.00 0.00 -6.74 0.00 3.08 -2.03 -3.47 114.38 105.22 2r3u h ARG 146 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2r3u h ARG 146 Cb 0.08 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.16 2r3u h ARG 146 CO 0.00 0.00 0.56 0.50 -1.07 0.00 0.00 179.97 179.96 2r3u s ARG 147 N -3.30 4.50 -0.17 0.04 3.52 -0.65 -5.04 118.95 117.85 2r3u s ARG 147 Ca 0.03 1.93 0.01 0.00 -0.13 0.00 0.00 55.73 57.56 2r3u s ARG 147 Cb 0.08 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 2r3u s ARG 147 CO 0.74 -0.03 -0.19 0.14 -0.81 0.00 0.00 175.30 175.15 2r3u s VAL 148 N -0.54 2.23 0.30 7.11 -7.23 -1.26 -5.03 120.40 115.96 2r3u s VAL 148 Ca 0.50 -0.90 -0.29 0.00 -1.81 0.00 0.00 61.98 59.48 2r3u s VAL 148 Cb -0.34 -1.93 -0.11 0.00 0.56 0.00 0.00 36.38 34.56 2r3u s VAL 148 CO 0.41 0.53 1.45 -2.84 -0.31 0.00 0.00 175.10 174.34 2r3u s PRO 149 N 1.16 4.22 0.08 4.82 0.02 -1.26 -5.04 135.00 139.01 2r3u s PRO 149 Ca 0.02 2.39 0.09 0.00 0.02 0.00 0.00 61.00 63.52 2r3u s PRO 149 Cb -0.14 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 2r3u s PRO 149 CO -0.09 -0.44 -0.23 -1.01 -0.33 0.00 0.00 177.00 174.90 2r3u s HIS 150 N -0.44 2.40 0.01 6.54 3.76 -1.26 -5.09 115.29 121.22 2r3u s HIS 150 Ca 0.57 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 2r3u s HIS 150 Cb -0.44 -1.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 2r3u s HIS 150 CO 0.50 0.26 1.57 0.42 -0.85 0.00 0.00 174.74 176.64 2r3u s ILE 151 N -0.97 3.41 0.00 0.60 1.01 -1.26 -2.08 121.20 121.90 2r3u s ILE 151 Ca 0.14 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2r3u s ILE 151 Cb -0.10 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2r3u s ILE 151 CO 0.05 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2r3u n GLY 152 N 3.92 2.38 3.69 6.18 0.00 -0.53 -4.97 105.19 115.86 2r3u n GLY 152 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2r3u n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2r3u n ASP 153 N 0.00 3.33 -4.72 1.61 8.00 -0.88 -4.59 116.55 119.30 2r3u n ASP 153 Ca 0.00 1.09 -0.42 0.00 0.71 0.00 0.00 54.79 56.17 2r3u n ASP 153 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 39.59 2r3u n ASP 153 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r3u s VAL 154 N 0.80 2.84 0.04 2.53 1.01 -1.26 -1.75 120.40 124.60 2r3u s VAL 154 Ca 0.76 0.60 0.04 0.00 0.00 0.00 0.00 61.98 63.38 2r3u s VAL 154 Cb -0.62 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2r3u s VAL 154 CO 0.39 0.05 -0.12 0.54 0.00 0.00 0.00 175.10 175.95 2r3u s VAL 155 N 1.09 0.95 -0.12 2.92 0.11 -0.06 -3.50 120.40 121.78 2r3u s VAL 155 Ca 0.68 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2r3u s VAL 155 Cb -0.41 -0.89 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 2r3u s VAL 155 CO 0.31 -0.09 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.04 2r3u s LEU 156 N -1.23 2.37 -0.05 2.54 1.43 0.17 -1.16 118.68 122.75 2r3u s LEU 156 Ca -0.01 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 2r3u s LEU 156 Cb -0.08 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2r3u s LEU 156 CO 0.01 0.14 0.34 0.00 0.23 0.00 0.00 176.35 177.07 2r3u s ALA 157 N 0.48 3.72 -0.16 4.21 0.00 0.27 -1.34 121.76 128.93 2r3u s ALA 157 Ca -0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 2r3u s ALA 157 Cb -0.17 -2.31 0.04 0.00 0.00 0.00 0.00 23.12 20.68 2r3u s ALA 157 CO 0.05 0.45 -0.08 0.42 0.00 0.00 0.00 175.76 176.59 2r3u s ILE 158 N -0.82 1.29 0.00 0.00 1.01 -0.33 -2.05 121.20 120.30 2r3u s ILE 158 Ca 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.21 2r3u s ILE 158 Cb -0.15 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.95 2r3u s ILE 158 CO 0.10 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2r3u n GLY 159 N 4.83 1.80 2.64 6.18 0.00 -1.07 -2.57 105.19 117.00 2r3u n GLY 159 Ca -0.13 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 2r3u n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2r3u n ASN 160 N -0.88 4.20 -4.67 1.61 4.05 -0.66 -0.84 115.26 118.07 2r3u n ASN 160 Ca 0.00 -3.55 -0.48 0.00 0.45 0.00 0.00 54.58 51.00 2r3u n ASN 160 Cb 0.00 -0.65 -0.05 0.00 1.23 0.00 0.00 39.78 40.31 2r3u n ASN 160 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 2r3u n PRO 161 N 0.41 2.00 -2.41 1.20 -0.02 -1.26 -1.94 135.00 132.99 2r3u n PRO 161 Ca 0.31 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 62.45 2r3u n PRO 161 Cb 0.40 -2.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2r3u n PRO 161 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r3u n TYR 162 N 4.52 -1.68 -2.01 6.00 4.02 0.30 -0.97 117.16 127.34 2r3u n TYR 162 Ca 0.20 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.91 2r3u n TYR 162 Cb 0.27 -1.81 -0.04 0.00 -0.02 0.00 0.00 39.34 37.74 2r3u n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2r3u n ASN 163 N -1.54 -4.86 0.00 7.72 5.15 -0.82 -4.81 115.26 116.10 2r3u n ASN 163 Ca -0.07 0.23 0.09 0.00 -0.60 0.00 0.00 54.58 54.24 2r3u n ASN 163 Cb 0.53 -4.20 0.45 0.00 -0.53 0.00 0.00 39.78 36.03 2r3u n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2r3u n LEU 164 N -2.58 0.00 0.00 1.20 4.77 -0.15 -4.97 117.00 115.28 2r3u n LEU 164 Ca -0.19 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2r3u n LEU 164 Cb 0.62 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2r3u n LEU 164 CO 0.25 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2r3u n GLY 165 N 0.39 2.55 3.65 -0.72 0.00 -1.26 -4.99 105.19 104.81 2r3u n GLY 165 Ca 0.07 -1.85 -0.60 0.00 0.00 0.00 0.00 46.02 43.64 2r3u n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2r3u n GLN 166 N 1.08 0.59 -4.25 1.61 7.27 -1.26 -4.56 117.38 117.86 2r3u n GLN 166 Ca 0.00 0.22 -0.19 0.00 0.07 0.00 0.00 57.00 57.09 2r3u n GLN 166 Cb 0.00 -1.80 -0.11 0.00 2.41 0.00 0.00 30.24 30.73 2r3u n GLN 166 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2r3u s THR 167 N 1.99 1.43 -0.11 1.69 -4.23 -0.02 -4.99 115.64 111.39 2r3u s THR 167 Ca 0.96 -1.67 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2r3u s THR 167 Cb -1.20 -1.52 0.01 0.00 1.34 0.00 0.00 72.50 71.12 2r3u s THR 167 CO 0.64 -0.32 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.56 2r3u s ILE 168 N -1.87 1.87 0.08 2.99 -1.09 -1.26 -2.60 121.20 119.33 2r3u s ILE 168 Ca 0.08 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 57.70 2r3u s ILE 168 Cb -0.06 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.13 2r3u s ILE 168 CO 0.04 0.52 -0.23 0.42 -1.23 0.00 0.00 174.94 174.46 2r3u s THR 169 N 0.67 1.85 0.08 2.92 -4.23 -0.87 -4.98 115.64 111.08 2r3u s THR 169 Ca -0.12 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2r3u s THR 169 Cb -0.16 -1.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 2r3u s THR 169 CO 0.02 0.09 -0.19 0.00 -0.54 0.00 0.00 174.62 174.00 2r3u s GLN 170 N -1.66 1.13 0.00 3.99 1.03 -1.26 -0.56 119.66 122.33 2r3u s GLN 170 Ca 0.09 -1.03 0.00 0.00 0.04 0.00 0.00 55.36 54.45 2r3u s GLN 170 Cb -0.10 -1.29 0.00 0.00 0.03 0.00 0.00 33.01 31.65 2r3u s GLN 170 CO 0.04 0.31 0.00 0.41 -2.54 0.00 0.00 175.29 173.51 2r3u n GLY 171 N 1.39 3.66 3.29 2.60 0.00 -0.31 -4.57 105.19 111.26 2r3u n GLY 171 Ca -0.19 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 2r3u n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2r3u s ILE 172 N -0.53 0.26 -0.50 -0.61 -4.36 -1.26 -0.88 121.20 113.32 2r3u s ILE 172 Ca 0.00 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.11 2r3u s ILE 172 Cb 0.00 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.20 2r3u s ILE 172 CO 0.00 0.00 1.13 -0.63 0.24 0.00 0.00 174.94 175.68 2r3u s ILE 173 N -3.80 4.18 0.11 8.37 1.01 -0.72 -3.15 121.20 127.21 2r3u s ILE 173 Ca 0.38 1.10 -0.13 0.00 0.00 0.00 0.00 60.65 62.00 2r3u s ILE 173 Cb 0.06 -4.62 -0.10 0.00 0.01 0.00 0.00 42.46 37.81 2r3u s ILE 173 CO 0.16 -1.08 1.39 0.28 0.00 0.00 0.00 174.94 175.68 2r3u h SER 174 N 9.30 0.92 -5.06 3.58 0.02 -0.32 -1.41 113.55 120.58 2r3u h SER 174 Ca -0.24 -0.54 0.11 0.00 -0.84 0.00 0.00 61.79 60.29 2r3u h SER 174 Cb 1.06 -0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 2r3u h SER 174 CO 1.13 1.29 0.39 0.00 -1.14 0.00 0.00 176.83 178.51 2r3u s ALA 175 N -4.10 -1.59 -0.03 3.77 0.00 -1.14 -4.88 121.76 113.79 2r3u s ALA 175 Ca -0.11 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 2r3u s ALA 175 Cb 0.09 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.92 2r3u s ALA 175 CO 0.88 -0.93 0.06 0.95 0.00 0.00 0.00 175.76 176.72 2r3u s THR 176 N -3.45 -0.08 0.00 0.00 -4.23 -1.26 -0.60 115.64 106.01 2r3u s THR 176 Ca 0.09 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 2r3u s THR 176 Cb -0.02 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.69 2r3u s THR 176 CO -0.01 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2r3u n GLY 177 N 4.53 4.60 3.09 3.99 0.00 -0.96 -5.03 105.19 115.41 2r3u n GLY 177 Ca -0.20 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 2r3u n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2r3u s ARG 178 N 1.73 0.24 -0.23 1.61 3.52 -1.26 0.87 118.95 125.44 2r3u s ARG 178 Ca 0.00 0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 56.09 2r3u s ARG 178 Cb 0.00 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.27 2r3u s ARG 178 CO 0.00 -0.16 0.06 0.42 -0.81 0.00 0.00 175.30 174.81 2r3u s ILE 179 N 1.22 4.37 -5.00 4.11 1.01 -1.26 -4.89 121.20 120.77 2r3u s ILE 179 Ca -0.09 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2r3u s ILE 179 Cb -0.10 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2r3u s ILE 179 CO -0.09 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2r3u n GLY 180 N 4.54 0.83 3.73 6.18 0.00 -1.26 -4.96 105.19 114.25 2r3u n GLY 180 Ca -0.16 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2r3u n GLY 180 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r3u s LEU 181 N 0.00 4.40 -0.08 0.99 2.96 -1.26 -4.70 118.68 120.99 2r3u s LEU 181 Ca 0.00 1.48 -0.05 0.00 -0.22 0.00 0.00 54.13 55.34 2r3u s LEU 181 Cb 0.00 -3.32 0.02 0.00 0.50 0.00 0.00 46.19 43.39 2r3u s LEU 181 CO 0.00 -0.10 0.09 -3.20 -1.32 0.00 0.00 176.35 171.82 2r3u n ASN 182 N 3.34 -1.59 0.20 3.68 4.05 -1.26 -4.64 115.26 119.05 2r3u n ASN 182 Ca 0.01 0.55 0.12 0.00 0.45 0.00 0.00 54.58 55.71 2r3u n ASN 182 Cb 0.51 -2.74 0.65 0.00 1.23 0.00 0.00 39.78 39.42 2r3u n ASN 182 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2r3u h PRO 183 N 1.62 0.00 -0.10 1.20 0.11 -1.90 0.10 132.00 133.03 2r3u h PRO 183 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2r3u h PRO 183 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2r3u h PRO 183 CO 0.01 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.21 2r3u n THR 184 N -2.37 0.12 -0.72 -1.15 -1.04 -1.26 -4.73 114.28 103.12 2r3u n THR 184 Ca -0.02 -0.38 -0.21 0.00 -2.04 0.00 0.00 64.05 61.40 2r3u n THR 184 Cb 0.13 0.70 0.18 0.00 -1.82 0.00 0.00 70.33 69.52 2r3u n THR 184 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2r3u n GLY 185 N 1.23 -2.96 3.76 3.41 0.00 0.35 -4.92 105.19 106.06 2r3u n GLY 185 Ca 0.17 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2r3u n GLY 185 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3u s ARG 186 N -4.69 4.17 0.04 1.61 3.00 -1.26 -4.88 118.95 116.94 2r3u s ARG 186 Ca 0.50 2.49 -0.36 0.00 0.00 0.00 0.00 55.73 58.36 2r3u s ARG 186 Cb -0.06 -3.03 -0.15 0.00 0.00 0.00 0.00 34.95 31.71 2r3u s ARG 186 CO 0.39 -0.54 1.50 0.94 0.00 0.00 0.00 175.30 177.60 2r3u n GLN 187 N 1.76 1.50 -0.08 3.54 7.27 -1.26 -4.71 117.38 125.40 2r3u n GLN 187 Ca 0.06 0.54 -0.09 0.00 0.07 0.00 0.00 57.00 57.58 2r3u n GLN 187 Cb 0.39 -2.24 -0.11 0.00 2.41 0.00 0.00 30.24 30.69 2r3u n GLN 187 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2r3u n ASN 188 N 3.50 1.67 -4.10 1.69 3.02 0.25 -4.92 115.26 116.37 2r3u n ASN 188 Ca 0.19 -0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.62 2r3u n ASN 188 Cb 0.22 0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 39.86 2r3u n ASN 188 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2r3u s PHE 189 N -2.36 0.75 0.09 3.10 -0.12 -1.11 -4.16 117.98 114.17 2r3u s PHE 189 Ca -0.12 -1.11 0.08 0.00 -0.05 0.00 0.00 56.93 55.73 2r3u s PHE 189 Cb 0.05 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 2r3u s PHE 189 CO 0.56 -0.60 -0.21 -0.51 -0.05 0.00 0.00 175.22 174.42 2r3u s LEU 190 N -3.04 2.26 -0.03 -1.99 1.43 -0.09 -2.27 118.68 114.95 2r3u s LEU 190 Ca 0.24 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2r3u s LEU 190 Cb 0.06 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2r3u s LEU 190 CO 0.02 0.09 -0.23 -1.58 0.23 0.00 0.00 176.35 174.88 2r3u s GLN 191 N -1.70 2.25 0.03 1.70 0.74 0.23 -1.39 119.66 121.52 2r3u s GLN 191 Ca 0.07 -0.87 -0.05 0.00 0.05 0.00 0.00 55.36 54.56 2r3u s GLN 191 Cb -0.10 -2.13 -0.01 0.00 1.10 0.00 0.00 33.01 31.87 2r3u s GLN 191 CO 0.04 0.56 0.08 -0.08 -0.55 0.00 0.00 175.29 175.33 2r3u s THR 192 N -0.59 0.12 -2.18 -0.34 -1.32 0.32 0.47 115.64 112.12 2r3u s THR 192 Ca 0.09 -1.02 0.21 0.00 -1.21 0.00 0.00 61.69 59.77 2r3u s THR 192 Cb -0.10 -0.73 0.53 0.00 -1.51 0.00 0.00 72.50 70.68 2r3u s THR 192 CO -0.00 -0.56 1.47 -0.90 -2.21 0.00 0.00 174.62 172.41 2r3u n ASP 193 N 1.01 3.41 -4.67 8.08 5.75 -1.19 -1.03 116.55 127.90 2r3u n ASP 193 Ca -0.20 -1.98 -0.42 0.00 -0.01 0.00 0.00 54.79 52.17 2r3u n ASP 193 Cb 0.57 -0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 2r3u n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2r3u s ALA 194 N -1.29 3.63 -0.09 2.12 0.00 -1.26 -4.65 121.76 120.22 2r3u s ALA 194 Ca 0.42 0.94 -0.39 0.00 0.00 0.00 0.00 51.96 52.93 2r3u s ALA 194 Cb 0.23 -3.70 -0.17 0.00 0.00 0.00 0.00 23.12 19.47 2r3u s ALA 194 CO 0.31 -1.25 1.47 0.43 0.00 0.00 0.00 175.76 176.71 2r3u n SER 195 N 6.55 1.69 -4.29 0.00 7.64 -1.26 -4.81 113.62 119.15 2r3u n SER 195 Ca 0.16 1.11 -0.29 0.00 1.01 0.00 0.00 58.87 60.86 2r3u n SER 195 Cb 0.43 -1.12 -0.15 0.00 -1.01 0.00 0.00 64.21 62.35 2r3u n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2r3u s ILE 196 N 1.66 1.91 0.20 0.44 -1.09 -1.26 -4.82 121.20 118.24 2r3u s ILE 196 Ca 0.91 -1.11 -0.08 0.00 -2.23 0.00 0.00 60.65 58.14 2r3u s ILE 196 Cb -1.07 -1.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.19 2r3u s ILE 196 CO 0.57 0.46 0.29 0.20 -1.23 0.00 0.00 174.94 175.23 2r3u s ASN 197 N -0.77 0.04 -0.00 3.58 0.01 -1.26 -4.96 114.94 111.58 2r3u s ASN 197 Ca 0.10 -1.05 -0.35 0.00 -0.71 0.00 0.00 52.86 50.84 2r3u s ASN 197 Cb -0.09 0.46 -0.13 0.00 0.41 0.00 0.00 41.25 41.90 2r3u s ASN 197 CO -0.00 -0.95 1.72 1.57 -1.51 0.00 0.00 177.10 177.93 2r3u n HIS 198 N -0.28 2.22 0.00 2.20 -0.00 -1.26 -0.78 115.22 117.32 2r3u n HIS 198 Ca -0.03 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2r3u n HIS 198 Cb 0.63 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 2r3u n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2r3u n GLY 199 N 3.89 2.10 0.12 1.57 0.00 -1.25 -0.54 105.19 111.07 2r3u n GLY 199 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 2r3u n GLY 199 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2r3u h ASN 200 N 0.00 0.00 -1.67 1.61 2.35 -1.18 -1.77 115.58 114.92 2r3u h ASN 200 Ca 0.00 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 55.05 2r3u h ASN 200 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 2r3u h ASN 200 CO 0.00 0.42 0.77 -0.24 -1.65 0.00 0.00 177.43 176.73 2r3u n SER 201 N -2.99 2.28 0.00 5.81 2.88 -1.26 -0.41 113.62 119.93 2r3u n SER 201 Ca -0.03 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2r3u n SER 201 Cb 0.73 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2r3u n SER 201 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r3u n GLY 202 N 3.63 1.10 0.43 0.46 0.00 0.00 -0.30 105.19 110.51 2r3u n GLY 202 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 2r3u n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3u n GLY 203 N -2.00 -2.35 3.58 -0.02 0.00 0.45 -3.34 105.19 101.51 2r3u n GLY 203 Ca 0.00 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 2r3u n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3u s ALA 204 N -3.10 2.95 -0.23 4.61 0.00 -1.06 -1.84 121.76 123.09 2r3u s ALA 204 Ca 0.09 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2r3u s ALA 204 Cb -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2r3u s ALA 204 CO 0.07 0.63 -0.06 -1.17 0.00 0.00 0.00 175.76 175.22 2r3u s LEU 205 N -1.91 3.02 0.12 0.00 0.20 -0.34 -1.19 118.68 118.59 2r3u s LEU 205 Ca 0.20 -0.68 0.07 0.00 0.69 0.00 0.00 54.13 54.41 2r3u s LEU 205 Cb -0.11 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 2r3u s LEU 205 CO 0.11 -0.08 -0.17 0.68 -0.29 0.00 0.00 176.35 176.60 2r3u s VAL 206 N 1.38 1.53 0.54 1.68 -7.23 -0.45 0.67 120.40 118.51 2r3u s VAL 206 Ca 0.03 -1.69 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 2r3u s VAL 206 Cb -0.15 -1.57 0.12 0.00 0.56 0.00 0.00 36.38 35.33 2r3u s VAL 206 CO -0.05 -0.28 0.73 -0.46 -0.31 0.00 0.00 175.10 174.73 2r3u n ASN 207 N 0.68 0.45 0.00 4.85 0.23 -0.92 0.41 115.26 120.95 2r3u n ASN 207 Ca -0.16 -1.51 0.04 0.00 -0.53 0.00 0.00 54.58 52.42 2r3u n ASN 207 Cb 0.56 -0.52 0.22 0.00 -2.08 0.00 0.00 39.78 37.95 2r3u n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2r3u n SER 208 N -3.24 0.00 -0.41 0.53 3.41 -1.23 -1.10 113.62 111.59 2r3u n SER 208 Ca 0.10 -0.54 0.04 0.00 -0.26 0.00 0.00 58.87 58.22 2r3u n SER 208 Cb 0.37 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.41 2r3u n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2r3u n LEU 209 N -0.80 2.45 0.00 1.04 4.77 -1.26 -4.04 117.00 119.16 2r3u n LEU 209 Ca 0.06 -1.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 2r3u n LEU 209 Cb 0.03 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2r3u n LEU 209 CO 0.04 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2r3u n GLY 210 N 0.22 0.43 3.77 -0.72 0.00 -0.26 -4.82 105.19 103.81 2r3u n GLY 210 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2r3u n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3u s GLU 211 N -0.47 4.18 0.07 1.61 2.02 -1.26 -4.15 118.70 120.70 2r3u s GLU 211 Ca 0.00 1.68 -0.30 0.00 0.02 0.00 0.00 54.97 56.36 2r3u s GLU 211 Cb 0.00 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 2r3u s GLU 211 CO 0.00 -0.16 1.15 -1.17 0.02 0.00 0.00 175.26 175.10 2r3u s LEU 212 N -2.42 4.38 -0.06 1.80 2.96 -0.56 -2.17 118.68 122.61 2r3u s LEU 212 Ca 0.56 1.97 0.07 0.00 -0.22 0.00 0.00 54.13 56.51 2r3u s LEU 212 Cb -0.27 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.74 2r3u s LEU 212 CO 0.34 -0.41 0.07 0.23 -1.32 0.00 0.00 176.35 175.25 2r3u n MET 213 N 3.74 2.11 0.00 1.98 2.81 0.21 -4.74 117.12 123.24 2r3u n MET 213 Ca 0.08 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 2r3u n MET 213 Cb 0.47 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 2r3u n MET 213 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2r3u n GLY 214 N 2.40 -0.51 3.17 3.03 0.00 -1.09 -0.92 105.19 111.27 2r3u n GLY 214 Ca -0.10 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2r3u n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3u s ILE 215 N -2.00 3.27 0.24 -0.61 -1.09 -0.32 -1.20 121.20 119.49 2r3u s ILE 215 Ca 0.00 -1.60 -0.29 0.00 -2.23 0.00 0.00 60.65 56.53 2r3u s ILE 215 Cb 0.00 -3.02 -0.15 0.00 -1.58 0.00 0.00 42.46 37.71 2r3u s ILE 215 CO 0.00 -0.36 0.92 0.59 -1.23 0.00 0.00 174.94 174.86 2r3u n ASN 216 N 4.65 0.65 0.00 3.58 5.03 -0.76 -1.99 115.26 126.41 2r3u n ASN 216 Ca -0.09 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.52 2r3u n ASN 216 Cb 0.43 -1.18 0.00 0.00 -1.02 0.00 0.00 39.78 38.00 2r3u n ASN 216 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2r3u n THR 217 N 0.43 0.00 -2.44 3.41 5.66 -0.09 -0.82 114.28 120.43 2r3u n THR 217 Ca 0.13 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.87 2r3u n THR 217 Cb 0.28 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.10 2r3u n THR 217 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2r3u s LEU 218 N 0.00 3.20 0.00 1.09 1.43 -1.26 -4.17 118.68 118.96 2r3u s LEU 218 Ca 0.00 0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2r3u s LEU 218 Cb 0.00 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2r3u s LEU 218 CO 0.00 -1.14 0.12 -0.24 0.23 0.00 0.00 176.35 175.32 2r3u n SER 219 N -2.58 0.17 -4.70 2.29 2.88 -1.26 -3.56 113.62 106.85 2r3u n SER 219 Ca 0.05 -1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 56.12 2r3u n SER 219 Cb 0.58 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2r3u n SER 219 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2r3u s PHE 220 N -0.15 3.12 -0.30 0.66 5.36 -1.15 -4.93 117.98 120.60 2r3u s PHE 220 Ca 0.08 0.11 0.00 0.00 -0.96 0.00 0.00 56.93 56.17 2r3u s PHE 220 Cb -0.00 -1.69 0.19 0.00 -0.34 0.00 0.00 43.02 41.17 2r3u s PHE 220 CO 0.05 0.48 0.58 -0.51 -1.46 0.00 0.00 175.22 174.37 2r3u s ASP 221 N -1.54 -1.33 0.00 6.13 -0.00 -1.26 -4.82 116.67 113.84 2r3u s ASP 221 Ca 0.20 0.69 0.00 0.00 -0.00 0.00 0.00 52.55 53.44 2r3u s ASP 221 Cb -0.12 2.08 0.00 0.00 -0.00 0.00 0.00 42.92 44.88 2r3u s ASP 221 CO 0.10 -0.27 0.13 2.29 -0.00 0.00 0.00 175.17 177.42 2r3u n LYS 222 N 5.42 0.00 0.00 8.23 2.85 -1.26 -5.11 118.16 128.29 2r3u n LYS 222 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2r3u n LYS 222 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2r3u n LYS 222 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2r3u n GLU 227 N 0.00 0.00 -3.47 -1.58 0.28 -1.26 -4.84 120.64 109.77 2r3u n GLU 227 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 2r3u n GLU 227 Cb 0.31 -0.26 -0.11 0.00 1.43 0.00 0.00 31.44 32.81 2r3u n GLU 227 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2r3u s THR 228 N 0.00 0.37 0.73 3.84 -1.32 -1.26 -5.13 115.64 112.87 2r3u s THR 228 Ca 0.00 -2.15 -0.16 0.00 -1.21 0.00 0.00 61.69 58.17 2r3u s THR 228 Cb 0.00 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 2r3u s THR 228 CO 0.00 -1.07 0.49 -0.81 -2.21 0.00 0.00 174.62 171.03 2r3u n PRO 229 N 3.55 0.26 -4.04 7.08 -0.05 -1.26 -5.05 135.00 135.50 2r3u n PRO 229 Ca 0.18 0.13 -0.12 0.00 -0.05 0.00 0.00 63.50 63.64 2r3u n PRO 229 Cb 0.40 -1.80 -0.11 0.00 -0.05 0.00 0.00 33.50 31.94 2r3u n PRO 229 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2r3u s GLU 230 N -2.75 0.47 -1.86 0.54 2.12 -1.26 -4.87 118.70 111.08 2r3u s GLU 230 Ca 0.65 -0.72 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2r3u s GLU 230 Cb -0.34 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 33.86 2r3u s GLU 230 CO 0.59 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 2r3u n GLY 231 N 1.50 0.83 3.05 -1.50 0.00 -1.26 -4.95 105.19 102.85 2r3u n GLY 231 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2r3u n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3u s ILE 232 N -2.77 2.23 0.06 -0.61 1.01 -1.26 -3.44 121.20 116.42 2r3u s ILE 232 Ca 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 60.65 58.71 2r3u s ILE 232 Cb 0.00 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2r3u s ILE 232 CO 0.00 -0.27 -0.04 -0.83 0.00 0.00 0.00 174.94 173.80 2r3u s GLY 233 N 1.02 0.51 0.29 6.18 0.00 -0.20 -2.94 107.32 112.18 2r3u s GLY 233 Ca -0.01 -1.18 0.08 0.00 0.00 0.00 0.00 44.72 43.61 2r3u s GLY 233 CO -0.06 -1.29 -0.09 -1.36 0.00 0.00 0.00 173.10 170.30 2r3u s PHE 234 N -3.63 2.06 0.07 1.90 0.40 -1.23 -0.52 117.98 117.03 2r3u s PHE 234 Ca 0.06 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 2r3u s PHE 234 Cb 0.06 -1.13 0.02 0.00 0.51 0.00 0.00 43.02 42.48 2r3u s PHE 234 CO -0.08 0.40 0.33 0.00 0.70 0.00 0.00 175.22 176.56 2r3u s ALA 235 N -2.87 -0.72 -0.19 5.36 0.00 -0.49 -0.92 121.76 121.93 2r3u s ALA 235 Ca 0.29 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 2r3u s ALA 235 Cb 0.02 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2r3u s ALA 235 CO 0.13 -0.50 0.39 0.42 0.00 0.00 0.00 175.76 176.19 2r3u s ILE 236 N -3.12 5.21 0.54 0.00 1.09 -0.84 -0.92 121.20 123.17 2r3u s ILE 236 Ca -0.01 0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 60.05 2r3u s ILE 236 Cb 0.01 -3.72 -0.12 0.00 -1.06 0.00 0.00 42.46 37.57 2r3u s ILE 236 CO -0.07 0.27 0.22 -2.65 -0.10 0.00 0.00 174.94 172.61 2r3u n PRO 237 N 4.33 0.26 -0.05 2.79 -0.02 -1.26 -1.18 135.00 139.88 2r3u n PRO 237 Ca -0.09 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 2r3u n PRO 237 Cb 0.51 -1.36 0.07 0.00 -0.02 0.00 0.00 33.50 32.70 2r3u n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2r3u h PHE 238 N 0.12 0.83 0.00 6.00 -5.15 -1.32 -1.13 116.94 116.29 2r3u h PHE 238 Ca -0.43 -0.23 -0.01 0.00 -0.20 0.00 0.00 57.97 57.09 2r3u h PHE 238 Cb 1.42 -0.18 -0.00 0.00 0.22 0.00 0.00 35.95 37.41 2r3u h PHE 238 CO 0.27 0.97 -0.05 1.96 -2.00 0.00 0.00 178.31 179.46 2r3u h GLN 239 N 0.58 0.00 0.08 6.09 1.08 -1.89 -0.09 115.11 120.96 2r3u h GLN 239 Ca 0.05 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.95 2r3u h GLN 239 Cb 0.90 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2r3u h GLN 239 CO 0.08 0.05 -1.64 1.25 -0.95 0.00 0.00 178.83 177.62 2r3u h LEU 240 N 0.00 0.28 -0.73 1.46 6.46 -1.85 -3.09 115.31 117.84 2r3u h LEU 240 Ca -0.00 -0.79 0.11 0.00 -0.12 0.00 0.00 57.88 57.08 2r3u h LEU 240 Cb 0.11 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 39.87 2r3u h LEU 240 CO 0.01 1.69 0.34 0.00 -0.62 0.00 0.00 178.44 179.86 2r3u h ALA 241 N -0.13 1.01 0.58 1.25 0.00 -0.92 -2.22 119.26 118.83 2r3u h ALA 241 Ca -0.37 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2r3u h ALA 241 Cb 1.75 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.53 2r3u h ALA 241 CO -0.01 -0.09 -0.28 1.15 0.00 0.00 0.00 179.25 180.02 2r3u h THR 242 N 0.56 0.40 -0.67 0.00 2.02 -1.15 -2.33 112.91 111.74 2r3u h THR 242 Ca 0.37 -0.13 0.15 0.00 0.77 0.00 0.00 66.41 67.57 2r3u h THR 242 Cb 0.44 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2r3u h THR 242 CO -0.31 0.02 0.46 0.11 0.37 0.00 0.00 175.52 176.17 2r3u h LYS 243 N -0.87 0.27 -0.14 6.66 1.57 -1.40 -1.29 116.57 121.37 2r3u h LYS 243 Ca -0.08 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 2r3u h LYS 243 Cb 0.63 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.89 2r3u h LYS 243 CO 0.13 0.18 -0.73 0.82 -0.57 0.00 0.00 179.45 179.28 2r3u h ILE 244 N 0.27 1.30 0.68 1.86 2.04 -1.31 -2.56 117.51 119.79 2r3u h ILE 244 Ca 0.33 -1.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.21 2r3u h ILE 244 Cb 0.90 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 2r3u h ILE 244 CO -0.08 0.61 -0.37 -0.03 0.00 0.00 0.00 178.15 178.28 2r3u h MET 245 N 0.44 -0.94 -0.79 2.37 4.05 -0.70 0.15 114.93 119.51 2r3u h MET 245 Ca -0.05 0.06 0.19 0.00 -0.28 0.00 0.00 59.70 59.62 2r3u h MET 245 Cb 1.36 0.21 -0.12 0.00 -0.80 0.00 0.00 31.60 32.26 2r3u h MET 245 CO 0.15 -0.63 0.19 -0.44 0.23 0.00 0.00 176.91 176.41 2r3u h ASP 246 N -0.98 -0.01 0.42 1.39 3.32 -1.40 0.22 116.42 119.38 2r3u h ASP 246 Ca -0.09 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2r3u h ASP 246 Cb 0.77 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 2r3u h ASP 246 CO 0.12 -0.08 -0.27 0.50 -1.72 0.00 0.00 179.24 177.78 2r3u h LYS 247 N 0.24 -0.63 -0.95 3.56 3.64 -1.01 -2.88 116.57 118.55 2r3u h LYS 247 Ca 0.46 0.04 0.29 0.00 -1.27 0.00 0.00 60.65 60.18 2r3u h LYS 247 Cb 0.85 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.66 2r3u h LYS 247 CO -0.57 -0.42 0.37 -0.07 -2.27 0.00 0.00 179.45 176.49 2r3u h LEU 248 N -0.65 0.18 -1.90 5.20 3.38 0.20 0.23 115.31 121.94 2r3u h LEU 248 Ca -0.06 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2r3u h LEU 248 Cb 0.52 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2r3u h LEU 248 CO 0.05 -0.20 0.00 -0.38 0.09 0.00 0.00 178.44 178.00 2r3u n ILE 249 N -5.19 0.52 -3.27 1.22 5.41 0.66 -3.84 119.36 114.87 2r3u n ILE 249 Ca 0.27 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.77 2r3u n ILE 249 Cb 0.87 -0.74 -0.08 0.00 -0.71 0.00 0.00 39.64 38.98 2r3u n ILE 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2r3u n ARG 250 N 0.66 0.44 0.00 0.38 1.74 0.82 -5.01 116.66 115.69 2r3u n ARG 250 Ca 0.00 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 2r3u n ARG 250 Cb 0.27 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2r3u n ARG 250 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71