#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf3 n ARG 22 N 0.00 -2.21 -0.02 3.52 1.74 -1.26 -4.72 116.66 113.71 3cf3 n ARG 22 Ca 0.00 1.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.99 3cf3 n ARG 22 Cb 0.00 -2.78 0.00 0.00 -1.02 0.00 0.00 32.46 28.66 3cf3 n ARG 22 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cf3 n PRO 23 N 0.80 0.55 -0.01 5.56 -0.04 -1.26 -2.11 135.00 138.50 3cf3 n PRO 23 Ca -0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.32 3cf3 n PRO 23 Cb 0.23 -1.22 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 3cf3 n PRO 23 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3cf3 n ASN 24 N 0.80 1.50 -4.25 3.54 6.94 -1.26 -4.88 115.26 117.65 3cf3 n ASN 24 Ca 0.00 -1.38 -0.37 0.00 -0.02 0.00 0.00 54.58 52.81 3cf3 n ASN 24 Cb 0.28 -0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.55 3cf3 n ASN 24 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3cf3 s ARG 25 N -0.44 2.58 0.38 -3.83 3.52 -0.90 -1.68 118.95 118.59 3cf3 s ARG 25 Ca 0.03 -1.19 0.08 0.00 -0.13 0.00 0.00 55.73 54.52 3cf3 s ARG 25 Cb 0.02 -3.38 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 3cf3 s ARG 25 CO 0.03 -0.64 0.05 -0.51 -0.81 0.00 0.00 175.30 173.41 3cf3 s LEU 26 N 1.36 2.97 -0.31 -0.88 1.43 -0.94 -4.90 118.68 117.41 3cf3 s LEU 26 Ca -0.03 -1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 51.83 3cf3 s LEU 26 Cb -0.19 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3cf3 s LEU 26 CO 0.02 -0.37 0.23 -0.63 0.23 0.00 0.00 176.35 175.82 3cf3 s ILE 27 N -2.60 5.29 -0.14 -0.59 -1.09 -1.10 -2.12 121.20 118.85 3cf3 s ILE 27 Ca 0.36 0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.53 3cf3 s ILE 27 Cb 0.04 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3cf3 s ILE 27 CO 0.20 0.13 1.67 0.54 -1.23 0.00 0.00 174.94 176.24 3cf3 s VAL 28 N 1.77 3.61 0.32 2.92 0.11 -1.00 -1.41 120.40 126.72 3cf3 s VAL 28 Ca 0.07 0.70 0.10 0.00 -2.93 0.00 0.00 61.98 59.93 3cf3 s VAL 28 Cb -0.17 -3.55 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 3cf3 s VAL 28 CO 0.11 -0.17 -0.12 -0.62 -3.33 0.00 0.00 175.10 170.97 3cf3 s ASP 29 N 4.04 3.74 1.10 3.54 2.15 -0.95 -0.08 116.67 130.22 3cf3 s ASP 29 Ca 0.74 -1.12 -0.20 0.00 0.43 0.00 0.00 52.55 52.41 3cf3 s ASP 29 Cb -0.29 -0.36 0.08 0.00 -0.30 0.00 0.00 42.92 42.05 3cf3 s ASP 29 CO 0.30 -0.13 -0.17 -0.62 -0.17 0.00 0.00 175.17 174.38 3cf3 n GLU 30 N -0.76 -1.52 -4.25 4.34 1.02 -1.26 -2.93 120.64 115.29 3cf3 n GLU 30 Ca -0.05 -0.43 -0.23 0.00 -0.02 0.00 0.00 57.16 56.43 3cf3 n GLU 30 Cb 0.62 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.38 3cf3 n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf3 s ALA 31 N -2.19 3.26 -0.13 0.62 0.00 -1.26 -3.90 121.76 118.16 3cf3 s ALA 31 Ca 0.52 -1.59 0.14 0.00 0.00 0.00 0.00 51.96 51.03 3cf3 s ALA 31 Cb -0.08 -0.90 -0.19 0.00 0.00 0.00 0.00 23.12 21.94 3cf3 s ALA 31 CO 0.63 0.27 0.09 -0.89 0.00 0.00 0.00 175.76 175.87 3cf3 n ILE 32 N -0.93 0.88 -3.53 0.00 2.08 -1.26 -4.80 119.36 111.81 3cf3 n ILE 32 Ca -0.07 -0.60 -0.42 0.00 0.56 0.00 0.00 62.75 62.23 3cf3 n ILE 32 Cb 0.59 -0.50 -0.09 0.00 -0.75 0.00 0.00 39.64 38.89 3cf3 n ILE 32 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3cf3 s ASN 33 N -4.70 5.78 0.29 4.38 3.84 -1.26 -4.96 114.94 118.30 3cf3 s ASN 33 Ca -0.07 -1.68 0.20 0.00 0.21 0.00 0.00 52.86 51.51 3cf3 s ASN 33 Cb 0.05 -2.04 1.06 0.00 -0.55 0.00 0.00 41.25 39.77 3cf3 s ASN 33 CO 0.62 -0.65 1.60 -1.84 -2.79 0.00 0.00 177.10 174.04 3cf3 n GLU 34 N 4.98 0.13 -1.61 0.43 0.00 -1.26 -4.63 120.64 118.67 3cf3 n GLU 34 Ca -0.10 0.62 -0.49 0.00 0.00 0.00 0.00 57.16 57.19 3cf3 n GLU 34 Cb 0.42 -1.91 -0.05 0.00 0.00 0.00 0.00 31.44 29.90 3cf3 n GLU 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3cf3 n ASP 35 N -2.18 1.92 -0.25 -1.84 -0.08 -1.26 -4.83 116.55 108.03 3cf3 n ASP 35 Ca -0.01 1.12 0.16 0.00 -1.51 0.00 0.00 54.79 54.56 3cf3 n ASP 35 Cb 0.04 -1.27 0.46 0.00 2.34 0.00 0.00 41.12 42.69 3cf3 n ASP 35 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3cf3 h ASN 36 N 4.30 0.50 -1.57 1.67 2.35 -1.94 -2.88 115.58 118.01 3cf3 h ASN 36 Ca -0.45 0.04 -0.68 0.00 -0.55 0.00 0.00 56.30 54.66 3cf3 h ASN 36 Cb 1.32 -0.05 -0.34 0.00 0.05 0.00 0.00 38.32 39.30 3cf3 h ASN 36 CO 0.76 0.22 0.30 -1.20 -1.65 0.00 0.00 177.43 175.86 3cf3 n SER 37 N -4.54 6.44 -3.84 5.81 7.64 -1.26 -4.54 113.62 119.33 3cf3 n SER 37 Ca 0.18 -3.79 -0.13 0.00 1.01 0.00 0.00 58.87 56.15 3cf3 n SER 37 Cb 0.61 -0.80 -0.14 0.00 -1.01 0.00 0.00 64.21 62.87 3cf3 n SER 37 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cf3 s VAL 38 N -5.13 -0.01 -0.30 0.44 0.11 -1.09 -2.09 120.40 112.33 3cf3 s VAL 38 Ca 0.53 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.60 3cf3 s VAL 38 Cb 0.44 -0.08 0.10 0.00 -1.53 0.00 0.00 36.38 35.30 3cf3 s VAL 38 CO -0.24 0.02 0.11 0.68 -3.33 0.00 0.00 175.10 172.33 3cf3 s VAL 39 N 0.23 0.58 0.20 2.04 -7.23 -0.96 -4.49 120.40 110.77 3cf3 s VAL 39 Ca -0.02 -1.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 3cf3 s VAL 39 Cb -0.03 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 3cf3 s VAL 39 CO -0.01 -0.69 1.04 -0.44 -0.31 0.00 0.00 175.10 174.70 3cf3 s SER 40 N 1.77 7.39 0.08 4.85 0.01 -1.06 -3.34 113.70 123.39 3cf3 s SER 40 Ca 0.09 2.05 0.04 0.00 1.31 0.00 0.00 55.95 59.44 3cf3 s SER 40 Cb -0.17 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 3cf3 s SER 40 CO -0.29 -0.10 -0.11 -0.76 0.41 0.00 0.00 173.24 172.40 3cf3 s LEU 41 N -0.71 2.34 0.83 2.44 1.43 -0.43 -1.81 118.68 122.76 3cf3 s LEU 41 Ca 0.46 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3cf3 s LEU 41 Cb -0.28 -0.36 0.10 0.00 0.03 0.00 0.00 46.19 45.68 3cf3 s LEU 41 CO 0.35 -0.19 1.17 -0.94 0.23 0.00 0.00 176.35 176.97 3cf3 s SER 42 N -2.06 3.56 0.20 2.29 1.04 -1.24 -0.33 113.70 117.17 3cf3 s SER 42 Ca 0.00 2.23 -0.08 0.00 0.48 0.00 0.00 55.95 58.58 3cf3 s SER 42 Cb -0.07 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.61 3cf3 s SER 42 CO 0.01 -2.68 1.74 -0.61 0.98 0.00 0.00 173.24 172.68 3cf3 h GLN 43 N -1.18 1.15 0.00 4.02 5.75 -1.91 -2.75 115.11 120.19 3cf3 h GLN 43 Ca -0.45 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 57.78 3cf3 h GLN 43 Cb 1.28 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 3cf3 h GLN 43 CO 0.46 0.98 -0.12 -1.00 -2.65 0.00 0.00 178.83 176.50 3cf3 h PRO 44 N 1.10 0.00 0.08 -2.39 0.13 -1.95 -3.00 132.00 125.96 3cf3 h PRO 44 Ca 0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.10 3cf3 h PRO 44 Cb 0.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.46 3cf3 h PRO 44 CO -0.01 0.12 -1.14 -0.22 -0.23 0.00 0.00 178.00 176.52 3cf3 h LYS 45 N 0.00 0.48 0.00 0.86 1.63 -1.86 -3.21 116.57 114.47 3cf3 h LYS 45 Ca -0.00 -0.62 0.00 0.00 -0.85 0.00 0.00 60.65 59.18 3cf3 h LYS 45 Cb 0.53 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 3cf3 h LYS 45 CO 0.01 1.25 0.00 -1.33 -3.45 0.00 0.00 179.45 175.94 3cf3 n MET 46 N -3.72 0.12 0.08 1.90 2.81 -1.10 -2.03 117.12 115.18 3cf3 n MET 46 Ca -0.10 0.38 0.07 0.00 -1.81 0.00 0.00 57.70 56.24 3cf3 n MET 46 Cb 0.94 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 3cf3 n MET 46 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3cf3 n ASP 47 N -1.98 0.85 0.14 7.83 8.00 -1.21 -0.89 116.55 129.29 3cf3 n ASP 47 Ca 0.02 0.35 0.06 0.00 0.71 0.00 0.00 54.79 55.93 3cf3 n ASP 47 Cb 0.19 0.34 0.04 0.00 -0.02 0.00 0.00 41.12 41.67 3cf3 n ASP 47 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3cf3 h GLU 48 N 0.00 0.00 -0.00 -1.24 4.81 -1.47 -3.27 114.58 113.41 3cf3 h GLU 48 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3cf3 h GLU 48 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3cf3 h GLU 48 CO 0.02 0.24 -0.66 1.28 -0.73 0.00 0.00 179.01 179.15 3cf3 n LEU 49 N -3.04 0.97 -3.07 1.64 4.32 -1.10 -5.03 117.00 111.69 3cf3 n LEU 49 Ca 0.00 -0.56 -0.11 0.00 -0.02 0.00 0.00 56.01 55.32 3cf3 n LEU 49 Cb 0.66 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.51 3cf3 n LEU 49 CO 0.39 0.22 0.10 0.00 -1.22 0.00 0.00 177.39 176.87 3cf3 n GLN 50 N -1.08 -1.87 -4.67 3.23 6.02 -0.67 -4.91 117.38 113.43 3cf3 n GLN 50 Ca 0.04 0.94 -0.23 0.00 -0.01 0.00 0.00 57.00 57.75 3cf3 n GLN 50 Cb 0.27 -5.48 -0.15 0.00 1.02 0.00 0.00 30.24 25.90 3cf3 n GLN 50 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3cf3 s LEU 51 N -4.89 2.03 0.00 1.08 1.43 -0.07 -5.03 118.68 113.23 3cf3 s LEU 51 Ca 0.33 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3cf3 s LEU 51 Cb -0.04 -0.75 0.00 0.00 0.03 0.00 0.00 46.19 45.43 3cf3 s LEU 51 CO 0.68 0.18 0.00 0.49 0.23 0.00 0.00 176.35 177.93 3cf3 n PHE 52 N 2.71 -0.71 0.90 0.29 3.01 -1.26 -4.71 117.46 117.69 3cf3 n PHE 52 Ca -0.14 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.35 3cf3 n PHE 52 Cb 0.55 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 40.21 3cf3 n PHE 52 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cf3 n ARG 53 N -0.22 0.45 0.00 -1.08 5.12 -1.26 -3.77 116.66 115.90 3cf3 n ARG 53 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3cf3 n ARG 53 Cb 0.00 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 3cf3 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cf3 n GLY 54 N -0.07 1.00 3.51 -0.13 0.00 -1.26 -4.89 105.19 103.35 3cf3 n GLY 54 Ca 0.05 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.46 3cf3 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf3 n ASP 55 N 0.00 1.35 -4.67 1.61 8.00 -1.25 -4.59 116.55 117.01 3cf3 n ASP 55 Ca 0.00 0.87 -0.42 0.00 0.71 0.00 0.00 54.79 55.95 3cf3 n ASP 55 Cb 0.13 -0.98 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 3cf3 n ASP 55 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cf3 s THR 56 N 4.84 3.57 0.16 -3.53 -4.23 -1.26 -3.12 115.64 112.07 3cf3 s THR 56 Ca 1.10 0.81 0.03 0.00 -1.18 0.00 0.00 61.69 62.45 3cf3 s THR 56 Cb -1.34 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 68.94 3cf3 s THR 56 CO 0.69 -0.05 0.27 0.68 -0.54 0.00 0.00 174.62 175.67 3cf3 s VAL 57 N 3.47 5.18 -0.23 2.29 -7.23 0.42 -1.36 120.40 122.94 3cf3 s VAL 57 Ca 0.70 -0.78 -0.01 0.00 -1.81 0.00 0.00 61.98 60.09 3cf3 s VAL 57 Cb -0.33 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 32.95 3cf3 s VAL 57 CO 0.28 -0.12 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.64 3cf3 s LEU 58 N -3.28 2.97 0.01 1.32 2.96 0.24 -1.76 118.68 121.14 3cf3 s LEU 58 Ca 0.34 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3cf3 s LEU 58 Cb -0.11 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3cf3 s LEU 58 CO 0.28 -0.10 0.18 -0.76 -1.32 0.00 0.00 176.35 174.62 3cf3 s LEU 59 N 1.31 4.30 -0.08 -0.68 1.43 0.15 -2.78 118.68 122.31 3cf3 s LEU 59 Ca 0.01 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 3cf3 s LEU 59 Cb -0.16 -2.67 0.04 0.00 0.03 0.00 0.00 46.19 43.44 3cf3 s LEU 59 CO -0.06 0.23 0.15 -0.54 0.23 0.00 0.00 176.35 176.36 3cf3 s LYS 60 N -2.09 0.02 0.00 1.70 1.02 -1.20 -1.09 119.74 118.10 3cf3 s LYS 60 Ca 0.29 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.82 3cf3 s LYS 60 Cb -0.13 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.88 3cf3 s LYS 60 CO 0.21 -0.31 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 3cf3 n GLY 61 N 5.31 6.84 0.84 -3.33 0.00 -0.91 -2.03 105.19 111.92 3cf3 n GLY 61 Ca -0.05 -1.91 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 3cf3 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf3 n LYS 62 N 0.00 -2.29 -1.20 1.61 5.02 -1.25 -3.71 118.16 116.34 3cf3 n LYS 62 Ca 0.00 -0.35 -0.04 0.00 -2.02 0.00 0.00 58.31 55.90 3cf3 n LYS 62 Cb 0.00 -0.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.51 3cf3 n LYS 62 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf3 n LYS 63 N -2.64 -1.20 -3.28 1.97 5.02 -1.26 -2.99 118.16 113.78 3cf3 n LYS 63 Ca 0.03 0.21 -0.24 0.00 -2.02 0.00 0.00 58.31 56.29 3cf3 n LYS 63 Cb 0.15 -4.31 0.02 0.00 -0.02 0.00 0.00 35.03 30.87 3cf3 n LYS 63 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3cf3 n ARG 64 N -1.33 -2.00 -3.91 1.97 3.00 -1.24 -5.04 116.66 108.11 3cf3 n ARG 64 Ca -0.04 1.60 -0.09 0.00 -0.00 0.00 0.00 57.85 59.32 3cf3 n ARG 64 Cb 0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 32.46 28.96 3cf3 n ARG 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3cf3 s ARG 65 N -2.83 1.53 0.30 -0.14 0.52 -1.16 -5.06 118.95 112.10 3cf3 s ARG 65 Ca 0.27 -1.10 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3cf3 s ARG 65 Cb -0.04 0.50 -0.01 0.00 0.52 0.00 0.00 34.95 35.92 3cf3 s ARG 65 CO 0.83 -0.65 0.32 0.39 0.02 0.00 0.00 175.30 176.22 3cf3 n GLU 66 N -0.38 0.46 -3.53 3.54 1.02 -1.26 -2.14 120.64 118.36 3cf3 n GLU 66 Ca -0.04 -2.75 -0.09 0.00 -0.02 0.00 0.00 57.16 54.25 3cf3 n GLU 66 Cb 0.62 2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 34.40 3cf3 n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf3 s ALA 67 N -2.97 -1.86 -0.07 0.62 0.00 -0.25 -4.78 121.76 112.46 3cf3 s ALA 67 Ca 0.31 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.54 3cf3 s ALA 67 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3cf3 s ALA 67 CO 0.22 -0.56 -0.24 0.08 0.00 0.00 0.00 175.76 175.27 3cf3 s VAL 68 N -2.41 2.18 0.21 0.00 1.01 -1.26 0.29 120.40 120.41 3cf3 s VAL 68 Ca 0.02 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3cf3 s VAL 68 Cb -0.01 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3cf3 s VAL 68 CO -0.05 0.57 0.21 0.00 0.00 0.00 0.00 175.10 175.82 3cf3 s ILE 70 N -2.80 2.94 0.31 0.00 -1.09 -0.89 -0.44 121.20 119.24 3cf3 s ILE 70 Ca 0.23 -0.66 -0.26 0.00 -2.23 0.00 0.00 60.65 57.74 3cf3 s ILE 70 Cb 0.01 -2.29 -0.10 0.00 -1.58 0.00 0.00 42.46 38.50 3cf3 s ILE 70 CO 0.16 0.48 0.93 0.54 -1.23 0.00 0.00 174.94 175.82 3cf3 s VAL 71 N 1.12 4.23 0.28 2.92 0.11 -1.18 -2.27 120.40 125.61 3cf3 s VAL 71 Ca 0.01 1.80 0.04 0.00 -2.93 0.00 0.00 61.98 60.90 3cf3 s VAL 71 Cb -0.14 -4.02 -0.03 0.00 -1.53 0.00 0.00 36.38 30.65 3cf3 s VAL 71 CO -0.03 0.17 0.21 -0.76 -3.33 0.00 0.00 175.10 171.36 3cf3 s LEU 72 N -2.00 1.54 -0.16 2.54 1.43 -1.21 -4.17 118.68 116.65 3cf3 s LEU 72 Ca 0.49 -1.61 -0.04 0.00 -1.03 0.00 0.00 54.13 51.93 3cf3 s LEU 72 Cb -0.19 0.45 -0.03 0.00 0.03 0.00 0.00 46.19 46.45 3cf3 s LEU 72 CO 0.24 -0.97 -0.02 -0.94 0.23 0.00 0.00 176.35 174.90 3cf3 s SER 73 N -3.31 4.97 -0.08 2.29 1.04 -1.25 -1.32 113.70 116.04 3cf3 s SER 73 Ca 0.39 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 3cf3 s SER 73 Cb 0.04 -1.82 0.03 0.00 0.10 0.00 0.00 66.02 64.37 3cf3 s SER 73 CO 0.21 0.17 -0.04 -0.62 0.98 0.00 0.00 173.24 173.94 3cf3 s ASP 74 N 0.39 1.72 0.14 7.02 -1.08 0.56 -4.85 116.67 120.55 3cf3 s ASP 74 Ca -0.02 -0.18 -0.12 0.00 -0.52 0.00 0.00 52.55 51.71 3cf3 s ASP 74 Cb -0.14 -0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 40.68 3cf3 s ASP 74 CO 0.02 -0.14 1.49 -2.24 0.52 0.00 0.00 175.17 174.82 3cf3 h ASP 75 N 8.06 0.96 0.17 -0.34 2.03 -1.96 -2.96 116.42 122.37 3cf3 h ASP 75 Ca -0.26 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.59 3cf3 h ASP 75 Cb 1.13 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 3cf3 h ASP 75 CO 0.35 1.20 0.00 0.35 -1.03 0.00 0.00 179.24 180.11 3cf3 n THR 76 N -4.12 0.24 -3.34 1.15 -2.24 -1.26 -4.72 114.28 99.98 3cf3 n THR 76 Ca -0.02 0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.44 3cf3 n THR 76 Cb 0.51 -0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 67.91 3cf3 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cf3 s SER 78 N -0.31 6.48 0.62 0.00 1.04 -1.26 -4.46 113.70 115.81 3cf3 s SER 78 Ca 0.27 0.99 0.37 0.00 0.48 0.00 0.00 55.95 58.06 3cf3 s SER 78 Cb -0.17 -2.26 2.10 0.00 0.10 0.00 0.00 66.02 65.79 3cf3 s SER 78 CO 0.14 -0.35 2.30 0.44 0.98 0.00 0.00 173.24 176.75 3cf3 h ASP 79 N 1.29 0.00 -0.09 7.02 3.32 -1.97 -1.66 116.42 124.33 3cf3 h ASP 79 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3cf3 h ASP 79 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3cf3 h ASP 79 CO 0.64 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 177.55 3cf3 n GLU 80 N -3.46 1.24 -4.04 3.56 4.71 -1.26 -4.92 120.64 116.47 3cf3 n GLU 80 Ca -0.03 -0.37 -0.09 0.00 -0.01 0.00 0.00 57.16 56.66 3cf3 n GLU 80 Cb 0.09 -1.16 -0.09 0.00 -1.01 0.00 0.00 31.44 29.27 3cf3 n GLU 80 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3cf3 s LYS 81 N -1.88 0.91 -0.15 3.49 1.02 -0.63 -2.72 119.74 119.79 3cf3 s LYS 81 Ca 0.14 -1.25 -0.02 0.00 0.02 0.00 0.00 55.97 54.86 3cf3 s LYS 81 Cb 0.07 0.29 0.05 0.00 -0.52 0.00 0.00 37.83 37.71 3cf3 s LYS 81 CO 0.11 -0.27 0.01 -1.50 -0.92 0.00 0.00 175.35 172.77 3cf3 s ILE 82 N -3.97 0.57 0.30 2.17 2.07 -0.50 -4.71 121.20 117.13 3cf3 s ILE 82 Ca 0.16 -0.35 -0.28 0.00 -1.41 0.00 0.00 60.65 58.77 3cf3 s ILE 82 Cb 0.06 -0.91 -0.09 0.00 0.13 0.00 0.00 42.46 41.64 3cf3 s ILE 82 CO -0.03 0.00 1.06 -0.13 -1.91 0.00 0.00 174.94 173.93 3cf3 s ARG 83 N 1.86 4.56 -0.30 3.50 0.52 -0.75 -2.23 118.95 126.11 3cf3 s ARG 83 Ca 0.01 1.67 -0.14 0.00 -0.52 0.00 0.00 55.73 56.76 3cf3 s ARG 83 Cb -0.15 -3.03 0.14 0.00 0.52 0.00 0.00 34.95 32.42 3cf3 s ARG 83 CO -0.07 0.18 0.84 0.00 0.02 0.00 0.00 175.30 176.26 3cf3 s MET 84 N -1.68 0.45 0.72 3.54 0.23 -1.15 -2.58 119.30 118.84 3cf3 s MET 84 Ca 0.47 1.03 -0.11 0.00 -1.03 0.00 0.00 55.69 56.05 3cf3 s MET 84 Cb -0.28 0.50 0.17 0.00 -1.53 0.00 0.00 34.83 33.68 3cf3 s MET 84 CO 0.36 -0.14 0.38 0.27 -2.03 0.00 0.00 175.02 173.86 3cf3 n ASN 85 N 4.86 -2.74 0.09 -1.18 0.23 -1.26 -4.19 115.26 111.06 3cf3 n ASN 85 Ca -0.13 -0.38 -0.05 0.00 -0.53 0.00 0.00 54.58 53.49 3cf3 n ASN 85 Cb 0.53 -0.51 0.09 0.00 -2.08 0.00 0.00 39.78 37.81 3cf3 n ASN 85 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3cf3 h ARG 86 N 0.00 0.19 -0.01 -3.83 2.43 -1.97 -2.71 114.38 108.47 3cf3 h ARG 86 Ca -0.17 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3cf3 h ARG 86 Cb 0.58 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3cf3 h ARG 86 CO 0.10 0.80 -0.15 0.28 -1.51 0.00 0.00 179.97 179.49 3cf3 h VAL 87 N 0.13 0.63 0.47 0.20 2.07 -1.92 0.50 116.25 118.32 3cf3 h VAL 87 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3cf3 h VAL 87 Cb 1.22 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3cf3 h VAL 87 CO 0.10 0.00 -0.47 0.58 0.02 0.00 0.00 177.57 177.80 3cf3 h VAL 88 N -0.25 0.00 -0.58 2.57 2.07 -1.79 -0.51 116.25 117.76 3cf3 h VAL 88 Ca 0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3cf3 h VAL 88 Cb 0.32 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.97 3cf3 h VAL 88 CO -0.15 0.00 -0.21 -0.09 0.02 0.00 0.00 177.57 177.14 3cf3 h ARG 89 N -0.94 -0.06 -0.19 1.57 2.43 -1.30 -2.07 114.38 113.82 3cf3 h ARG 89 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3cf3 h ARG 89 Cb 0.81 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3cf3 h ARG 89 CO -0.06 -0.04 0.13 -0.91 -1.51 0.00 0.00 179.97 177.58 3cf3 h ASN 90 N -0.06 0.22 -0.15 -3.80 -0.26 0.31 -1.52 115.58 110.32 3cf3 h ASN 90 Ca 0.27 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 56.05 3cf3 h ASN 90 Cb 0.48 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3cf3 h ASN 90 CO -0.63 0.16 0.12 0.78 -1.06 0.00 0.00 177.43 176.79 3cf3 h ASN 91 N 0.26 0.00 1.16 5.81 -0.26 -0.44 0.94 115.58 123.06 3cf3 h ASN 91 Ca 0.07 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.64 3cf3 h ASN 91 Cb -0.03 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 3cf3 h ASN 91 CO -0.02 0.00 -0.85 -0.07 -1.06 0.00 0.00 177.43 175.43 3cf3 h LEU 92 N 0.00 0.00 -0.91 1.61 3.38 -1.05 -3.43 115.31 114.91 3cf3 h LEU 92 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3cf3 h LEU 92 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3cf3 h LEU 92 CO -0.00 0.75 0.00 0.54 0.09 0.00 0.00 178.44 179.82 3cf3 n ARG 93 N -3.24 0.00 -4.42 1.13 5.12 0.32 -3.76 116.66 111.80 3cf3 n ARG 93 Ca -0.01 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.67 3cf3 n ARG 93 Cb 0.85 -2.36 -0.09 0.00 -1.16 0.00 0.00 32.46 29.70 3cf3 n ARG 93 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3cf3 s VAL 94 N -2.91 2.68 0.28 1.55 -7.23 -0.80 -4.65 120.40 109.32 3cf3 s VAL 94 Ca 0.00 -2.22 0.11 0.00 -1.81 0.00 0.00 61.98 58.06 3cf3 s VAL 94 Cb 0.00 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 3cf3 s VAL 94 CO 0.00 -0.34 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.15 3cf3 s ARG 95 N -3.59 1.66 -0.03 4.82 1.81 -1.26 -4.46 118.95 117.90 3cf3 s ARG 95 Ca 0.31 -1.78 -0.34 0.00 -1.72 0.00 0.00 55.73 52.21 3cf3 s ARG 95 Cb -0.04 -1.65 -0.12 0.00 -0.45 0.00 0.00 34.95 32.69 3cf3 s ARG 95 CO 0.17 0.27 1.83 1.28 -0.68 0.00 0.00 175.30 178.17 3cf3 n LEU 96 N -0.62 3.44 0.00 2.53 7.99 -1.26 -2.05 117.00 127.03 3cf3 n LEU 96 Ca -0.05 0.99 0.00 0.00 -0.01 0.00 0.00 56.01 56.93 3cf3 n LEU 96 Cb 0.61 -1.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 3cf3 n LEU 96 CO 0.39 -0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 3cf3 n GLY 97 N 4.23 1.39 3.47 -0.72 0.00 0.89 -5.00 105.19 109.45 3cf3 n GLY 97 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3cf3 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf3 s ASP 98 N -1.29 0.13 -0.14 1.61 1.01 -0.87 -4.58 116.67 112.54 3cf3 s ASP 98 Ca 0.00 0.80 -0.01 0.00 0.71 0.00 0.00 52.55 54.05 3cf3 s ASP 98 Cb 0.00 -1.14 -0.02 0.00 1.01 0.00 0.00 42.92 42.78 3cf3 s ASP 98 CO 0.00 -4.63 -0.12 0.68 0.21 0.00 0.00 175.17 171.31 3cf3 s VAL 99 N -2.67 3.11 0.34 -1.27 -7.23 -1.26 -2.39 120.40 109.04 3cf3 s VAL 99 Ca 0.70 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 3cf3 s VAL 99 Cb -0.12 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.43 3cf3 s VAL 99 CO 0.57 0.52 0.03 0.27 -0.31 0.00 0.00 175.10 176.18 3cf3 s ILE 100 N 0.39 1.49 -0.33 -0.62 -5.25 -0.90 -4.74 121.20 111.25 3cf3 s ILE 100 Ca -0.10 -2.02 0.03 0.00 -0.99 0.00 0.00 60.65 57.57 3cf3 s ILE 100 Cb -0.16 -2.81 0.10 0.00 2.95 0.00 0.00 42.46 42.54 3cf3 s ILE 100 CO 0.05 -0.04 0.06 -0.94 -1.79 0.00 0.00 174.94 172.28 3cf3 s SER 101 N -3.55 4.57 1.03 4.36 1.04 -0.86 -2.22 113.70 118.07 3cf3 s SER 101 Ca 0.35 -2.00 -0.14 0.00 0.48 0.00 0.00 55.95 54.64 3cf3 s SER 101 Cb 0.08 -1.43 0.21 0.00 0.10 0.00 0.00 66.02 64.98 3cf3 s SER 101 CO 0.16 -0.38 1.12 -0.51 0.98 0.00 0.00 173.24 174.60 3cf3 s ILE 102 N 1.09 1.90 0.00 -1.02 2.07 -0.67 -3.26 121.20 121.31 3cf3 s ILE 102 Ca 0.10 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 3cf3 s ILE 102 Cb -0.19 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 39.83 3cf3 s ILE 102 CO -0.12 0.00 0.00 1.67 -1.91 0.00 0.00 174.94 174.58 3cf3 n GLN 103 N -4.22 0.00 -1.84 3.50 7.27 -1.12 -4.93 117.38 116.04 3cf3 n GLN 103 Ca 0.08 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.77 3cf3 n GLN 103 Cb 0.58 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.28 3cf3 n GLN 103 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3cf3 s PRO 104 N 0.00 2.92 -0.40 3.69 0.04 -1.26 -0.60 135.00 139.40 3cf3 s PRO 104 Ca 0.00 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.19 3cf3 s PRO 104 Cb 0.00 -2.05 0.27 0.00 0.04 0.00 0.00 34.50 32.76 3cf3 s PRO 104 CO 0.00 -1.31 0.60 0.00 0.04 0.00 0.00 177.00 176.33 3cf3 n PRO 106 N 1.24 1.01 0.00 0.00 -0.04 -1.26 -3.52 135.00 132.43 3cf3 n PRO 106 Ca 0.20 -0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 3cf3 n PRO 106 Cb 0.56 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.89 3cf3 n PRO 106 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3cf3 n ASP 107 N 0.35 1.21 -4.62 3.54 5.75 -1.26 -4.96 116.55 116.55 3cf3 n ASP 107 Ca 0.00 -1.10 -0.43 0.00 -0.01 0.00 0.00 54.79 53.25 3cf3 n ASP 107 Cb 0.43 0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.70 3cf3 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3cf3 s VAL 108 N -0.65 4.23 0.03 2.12 1.01 -1.23 -5.01 120.40 120.90 3cf3 s VAL 108 Ca 0.05 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.39 3cf3 s VAL 108 Cb 0.04 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3cf3 s VAL 108 CO 0.09 -0.65 0.08 -0.54 0.00 0.00 0.00 175.10 174.08 3cf3 s LYS 109 N 4.20 3.00 -0.01 2.72 1.02 -1.26 -4.73 119.74 124.68 3cf3 s LYS 109 Ca 0.52 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.78 3cf3 s LYS 109 Cb -0.13 -2.81 -0.08 0.00 -0.52 0.00 0.00 37.83 34.30 3cf3 s LYS 109 CO 0.24 0.61 0.42 0.66 -0.92 0.00 0.00 175.35 176.37 3cf3 n TYR 110 N 0.88 0.27 -1.41 3.18 4.01 -1.26 -3.97 117.16 118.87 3cf3 n TYR 110 Ca -0.11 0.41 -0.30 0.00 -0.16 0.00 0.00 57.90 57.75 3cf3 n TYR 110 Cb 0.52 -0.81 0.20 0.00 -0.31 0.00 0.00 39.34 38.94 3cf3 n TYR 110 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3cf3 s GLY 111 N 0.06 1.63 0.02 2.72 0.00 -0.09 -4.76 107.32 106.90 3cf3 s GLY 111 Ca 0.36 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 3cf3 s GLY 111 CO 0.23 -0.10 -0.07 0.28 0.00 0.00 0.00 173.10 173.43 3cf3 n LYS 112 N -4.23 0.10 -4.72 2.90 4.76 -1.26 -4.41 118.16 111.31 3cf3 n LYS 112 Ca 0.11 0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.35 3cf3 n LYS 112 Cb 0.59 -0.68 -0.16 0.00 -1.84 0.00 0.00 35.03 32.94 3cf3 n LYS 112 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3cf3 s ARG 113 N -2.16 1.56 -0.11 1.97 0.52 -1.26 -0.39 118.95 119.08 3cf3 s ARG 113 Ca -0.06 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3cf3 s ARG 113 Cb 0.01 -1.38 0.02 0.00 0.52 0.00 0.00 34.95 34.13 3cf3 s ARG 113 CO 0.09 0.21 -0.08 0.42 0.02 0.00 0.00 175.30 175.95 3cf3 s ILE 114 N 0.08 1.07 -0.41 1.52 1.01 -0.59 -0.25 121.20 123.63 3cf3 s ILE 114 Ca -0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 3cf3 s ILE 114 Cb -0.11 -1.08 0.06 0.00 0.01 0.00 0.00 42.46 41.34 3cf3 s ILE 114 CO 0.02 0.37 0.27 -1.00 0.00 0.00 0.00 174.94 174.60 3cf3 s HIS 115 N 1.63 3.28 0.08 3.97 3.76 0.71 -0.23 115.29 128.50 3cf3 s HIS 115 Ca 0.04 -1.18 0.09 0.00 -0.15 0.00 0.00 55.06 53.86 3cf3 s HIS 115 Cb -0.13 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.74 3cf3 s HIS 115 CO -0.08 -0.76 -0.24 0.14 -0.85 0.00 0.00 174.74 172.96 3cf3 s VAL 116 N 1.52 2.42 0.00 -0.90 -7.23 -1.20 0.26 120.40 115.27 3cf3 s VAL 116 Ca 0.03 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3cf3 s VAL 116 Cb -0.22 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 3cf3 s VAL 116 CO 0.05 0.23 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.20 3cf3 s LEU 117 N -1.68 2.05 0.71 1.32 1.43 -1.17 -4.33 118.68 117.01 3cf3 s LEU 117 Ca 0.14 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3cf3 s LEU 117 Cb -0.10 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.61 3cf3 s LEU 117 CO 0.05 0.10 1.07 -2.16 0.23 0.00 0.00 176.35 175.64 3cf3 s PRO 118 N -0.43 2.78 -0.31 1.29 0.04 -1.26 -1.79 135.00 135.31 3cf3 s PRO 118 Ca 0.03 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 3cf3 s PRO 118 Cb -0.05 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3cf3 s PRO 118 CO -0.00 -1.23 0.20 0.42 0.04 0.00 0.00 177.00 176.43 3cf3 s ILE 119 N -3.00 5.21 0.19 0.56 1.01 -0.35 -1.08 121.20 123.74 3cf3 s ILE 119 Ca 0.59 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 61.27 3cf3 s ILE 119 Cb -0.15 -3.57 0.20 0.00 0.01 0.00 0.00 42.46 38.95 3cf3 s ILE 119 CO 0.55 0.13 0.86 -0.90 0.00 0.00 0.00 174.94 175.58 3cf3 n ASP 120 N 5.07 0.11 -0.99 3.58 5.68 -1.01 -0.60 116.55 128.39 3cf3 n ASP 120 Ca -0.13 0.92 -0.02 0.00 -0.50 0.00 0.00 54.79 55.06 3cf3 n ASP 120 Cb 0.51 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 40.11 3cf3 n ASP 120 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3cf3 n ASP 121 N -4.37 2.60 -0.57 -1.12 5.68 -1.26 -2.73 116.55 114.77 3cf3 n ASP 121 Ca 0.18 -2.17 -0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3cf3 n ASP 121 Cb 0.62 -0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3cf3 n ASP 121 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3cf3 n THR 122 N 0.23 0.00 -0.00 2.12 -2.24 0.23 -4.85 114.28 109.77 3cf3 n THR 122 Ca 0.06 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3cf3 n THR 122 Cb 0.55 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3cf3 n THR 122 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3cf3 n VAL 123 N 0.02 0.00 -1.41 2.28 0.24 -1.18 -4.41 118.33 113.88 3cf3 n VAL 123 Ca -0.01 0.00 -0.50 0.00 -2.04 0.00 0.00 64.34 61.79 3cf3 n VAL 123 Cb 0.63 0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 3cf3 n VAL 123 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3cf3 n GLU 124 N 0.00 0.42 0.00 7.34 1.02 -1.11 -0.56 120.64 127.76 3cf3 n GLU 124 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3cf3 n GLU 124 Cb 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 3cf3 n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cf3 n GLY 125 N 6.80 3.60 3.86 0.62 0.00 -1.26 -5.10 105.19 113.72 3cf3 n GLY 125 Ca 0.52 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3cf3 n GLY 125 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cf3 s ILE 126 N 0.00 4.91 0.09 -0.61 -4.36 0.28 -3.57 121.20 117.94 3cf3 s ILE 126 Ca 0.00 0.61 -0.01 0.00 -0.26 0.00 0.00 60.65 60.99 3cf3 s ILE 126 Cb 0.00 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 3cf3 s ILE 126 CO 0.00 0.07 0.03 0.28 0.24 0.00 0.00 174.94 175.55 3cf3 s THR 127 N -1.66 0.16 0.00 8.37 -1.32 -1.03 -4.95 115.64 115.20 3cf3 s THR 127 Ca 0.43 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 3cf3 s THR 127 Cb -0.13 -1.78 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 3cf3 s THR 127 CO 0.20 -0.71 0.00 0.61 -2.21 0.00 0.00 174.62 172.51 3cf3 n GLY 128 N -0.00 0.14 3.55 6.08 0.00 -1.26 -0.95 105.19 112.76 3cf3 n GLY 128 Ca -0.10 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.52 3cf3 n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cf3 s ASN 129 N -4.00 6.07 0.15 1.61 3.84 -1.26 -4.84 114.94 116.51 3cf3 s ASN 129 Ca 0.00 -0.76 -0.10 0.00 0.21 0.00 0.00 52.86 52.21 3cf3 s ASN 129 Cb 0.00 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.11 3cf3 s ASN 129 CO 0.00 -1.88 1.47 -0.07 -2.79 0.00 0.00 177.10 173.83 3cf3 h LEU 130 N 13.90 0.96 -2.08 3.21 3.38 -1.99 -2.66 115.31 130.03 3cf3 h LEU 130 Ca -0.05 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.53 3cf3 h LEU 130 Cb 1.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3cf3 h LEU 130 CO 1.32 1.25 0.19 0.15 0.09 0.00 0.00 178.44 181.45 3cf3 h PHE 131 N 0.72 0.00 0.05 1.13 3.57 -1.95 -1.23 116.94 119.22 3cf3 h PHE 131 Ca 0.05 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.27 3cf3 h PHE 131 Cb 1.02 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3cf3 h PHE 131 CO 0.06 0.00 -1.51 1.49 -2.23 0.00 0.00 178.31 176.12 3cf3 h GLU 132 N 0.00 0.11 -0.00 1.11 4.57 -1.95 0.61 114.58 119.03 3cf3 h GLU 132 Ca 0.11 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3cf3 h GLU 132 Cb 0.50 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3cf3 h GLU 132 CO -0.00 1.09 -0.00 0.28 -1.18 0.00 0.00 179.01 179.20 3cf3 h VAL 133 N -0.59 1.26 0.00 0.32 2.07 -1.31 -3.40 116.25 114.61 3cf3 h VAL 133 Ca -0.37 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3cf3 h VAL 133 Cb 1.58 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3cf3 h VAL 133 CO -0.09 0.20 0.00 -1.22 0.02 0.00 0.00 177.57 176.48 3cf3 n TYR 134 N -4.93 0.00 -0.30 1.57 4.01 -0.48 -4.68 117.16 112.35 3cf3 n TYR 134 Ca -0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.59 3cf3 n TYR 134 Cb 0.18 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 3cf3 n TYR 134 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3cf3 n LEU 135 N -1.60 -0.73 0.11 7.72 7.99 -1.21 -2.33 117.00 126.96 3cf3 n LEU 135 Ca 0.00 1.28 -0.16 0.00 -0.01 0.00 0.00 56.01 57.12 3cf3 n LEU 135 Cb 0.00 -0.18 -0.09 0.00 -0.11 0.00 0.00 43.42 43.04 3cf3 n LEU 135 CO 0.00 -1.05 0.54 0.50 -1.51 0.00 0.00 177.39 175.87 3cf3 h LYS 136 N 0.00 -0.69 0.00 3.23 3.64 -1.09 -1.30 116.57 120.36 3cf3 h LYS 136 Ca 0.13 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3cf3 h LYS 136 Cb 0.31 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3cf3 h LYS 136 CO -0.68 -0.46 0.00 -1.35 -2.27 0.00 0.00 179.45 174.69 3cf3 h PRO 137 N -0.72 0.00 -0.01 1.90 0.11 -1.70 -0.91 132.00 130.67 3cf3 h PRO 137 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3cf3 h PRO 137 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 3cf3 h PRO 137 CO -0.28 0.00 -0.01 -0.92 -0.21 0.00 0.00 178.00 176.58 3cf3 h TYR 138 N 0.00 0.03 0.00 0.65 3.20 -0.85 -3.27 116.97 116.74 3cf3 h TYR 138 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3cf3 h TYR 138 Cb 0.28 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3cf3 h TYR 138 CO 0.00 0.49 -0.76 0.74 -1.64 0.00 0.00 178.16 176.99 3cf3 h PHE 139 N -0.44 0.00 0.00 -3.82 0.04 -1.38 -3.44 116.94 107.90 3cf3 h PHE 139 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.62 3cf3 h PHE 139 Cb 0.49 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.59 3cf3 h PHE 139 CO 0.09 0.00 0.97 -0.11 -0.60 0.00 0.00 178.31 178.67 3cf3 n LEU 140 N -2.15 -0.82 -3.93 1.54 7.94 -0.35 0.15 117.00 119.37 3cf3 n LEU 140 Ca 0.03 -0.37 -0.27 0.00 -1.11 0.00 0.00 56.01 54.29 3cf3 n LEU 140 Cb 0.45 -0.28 -0.01 0.00 0.53 0.00 0.00 43.42 44.11 3cf3 n LEU 140 CO 0.38 -0.77 -0.22 -0.62 -1.11 0.00 0.00 177.39 175.05 3cf3 n GLU 141 N 2.79 -2.83 -0.05 1.96 1.02 -1.26 -4.86 120.64 117.41 3cf3 n GLU 141 Ca 0.29 0.39 -0.03 0.00 -0.02 0.00 0.00 57.16 57.79 3cf3 n GLU 141 Cb 0.11 -4.37 -0.11 0.00 -0.02 0.00 0.00 31.44 27.04 3cf3 n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf3 n ALA 142 N -4.40 1.89 -3.74 0.62 0.00 0.39 -5.01 120.51 110.26 3cf3 n ALA 142 Ca -0.27 -0.78 -0.24 0.00 0.00 0.00 0.00 53.44 52.15 3cf3 n ALA 142 Cb 0.67 -0.17 0.03 0.00 0.00 0.00 0.00 19.45 19.98 3cf3 n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cf3 n TYR 143 N -2.39 -2.06 -2.25 0.00 4.01 -0.90 -4.89 117.16 108.67 3cf3 n TYR 143 Ca -0.18 0.87 -0.42 0.00 -0.16 0.00 0.00 57.90 58.01 3cf3 n TYR 143 Cb 0.81 -4.34 -0.03 0.00 -0.31 0.00 0.00 39.34 35.47 3cf3 n TYR 143 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3cf3 s ARG 144 N -6.13 4.24 -1.06 -0.72 0.52 -1.23 -4.40 118.95 110.16 3cf3 s ARG 144 Ca 0.20 1.89 -0.22 0.00 -0.52 0.00 0.00 55.73 57.08 3cf3 s ARG 144 Cb -0.10 -3.76 0.06 0.00 0.52 0.00 0.00 34.95 31.67 3cf3 s ARG 144 CO 0.81 -0.69 1.48 -1.25 0.02 0.00 0.00 175.30 175.67 3cf3 s PRO 145 N 3.26 3.65 0.33 3.54 0.04 -1.26 -1.44 135.00 143.11 3cf3 s PRO 145 Ca 0.63 -1.27 -0.02 0.00 0.04 0.00 0.00 61.00 60.38 3cf3 s PRO 145 Cb -0.28 -5.38 0.07 0.00 0.04 0.00 0.00 34.50 28.96 3cf3 s PRO 145 CO 0.23 -2.21 0.45 0.44 0.04 0.00 0.00 177.00 175.95 3cf3 n ILE 146 N 6.78 0.00 -3.98 0.56 -5.35 -1.00 -4.28 119.36 112.09 3cf3 n ILE 146 Ca 0.35 -0.61 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 3cf3 n ILE 146 Cb 0.50 -1.31 -0.06 0.00 -1.74 0.00 0.00 39.64 37.03 3cf3 n ILE 146 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3cf3 s ARG 147 N -3.69 1.30 -0.53 6.28 3.52 -1.26 -3.28 118.95 121.30 3cf3 s ARG 147 Ca 0.29 -1.21 -0.29 0.00 -0.13 0.00 0.00 55.73 54.39 3cf3 s ARG 147 Cb -0.01 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.81 3cf3 s ARG 147 CO 0.19 -0.50 1.19 0.21 -0.81 0.00 0.00 175.30 175.58 3cf3 s LYS 148 N -3.99 3.60 0.00 5.12 2.20 -0.25 -3.05 119.74 123.36 3cf3 s LYS 148 Ca 0.20 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3cf3 s LYS 148 Cb 0.02 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 3cf3 s LYS 148 CO 0.04 -1.56 0.00 0.41 -0.36 0.00 0.00 175.35 173.87 3cf3 n GLY 149 N 4.99 1.57 3.37 5.54 0.00 0.19 -5.04 105.19 115.81 3cf3 n GLY 149 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3cf3 n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cf3 n ASP 150 N 0.00 -2.03 -3.42 1.61 8.00 -1.17 -4.63 116.55 114.91 3cf3 n ASP 150 Ca 0.00 0.05 -0.27 0.00 0.71 0.00 0.00 54.79 55.28 3cf3 n ASP 150 Cb 0.00 -1.11 -0.11 0.00 -0.02 0.00 0.00 41.12 39.88 3cf3 n ASP 150 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cf3 s ILE 151 N -2.33 0.11 0.53 0.53 1.01 -1.26 -1.53 121.20 118.26 3cf3 s ILE 151 Ca 0.59 -1.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.30 3cf3 s ILE 151 Cb -0.17 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3cf3 s ILE 151 CO 0.66 -0.99 0.87 0.72 0.00 0.00 0.00 174.94 176.19 3cf3 s PHE 152 N 0.84 3.56 -0.11 3.97 -0.71 -0.73 -4.84 117.98 119.96 3cf3 s PHE 152 Ca 0.22 0.94 0.03 0.00 -1.04 0.00 0.00 56.93 57.08 3cf3 s PHE 152 Cb -0.15 -2.46 0.01 0.00 -1.21 0.00 0.00 43.02 39.22 3cf3 s PHE 152 CO -0.05 -0.44 -0.20 -1.17 -1.34 0.00 0.00 175.22 172.02 3cf3 s LEU 153 N -4.89 1.94 -0.11 -1.99 2.96 -1.26 -1.58 118.68 113.75 3cf3 s LEU 153 Ca 0.50 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3cf3 s LEU 153 Cb -0.11 -1.26 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3cf3 s LEU 153 CO 0.48 0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.73 3cf3 s VAL 154 N 0.65 2.66 0.19 1.68 1.01 -0.68 -4.98 120.40 120.93 3cf3 s VAL 154 Ca -0.13 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.10 3cf3 s VAL 154 Cb -0.16 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3cf3 s VAL 154 CO 0.03 0.54 0.16 -0.13 0.00 0.00 0.00 175.10 175.70 3cf3 s ARG 155 N 0.27 2.94 0.00 2.72 0.52 -1.26 -1.25 118.95 122.89 3cf3 s ARG 155 Ca -0.12 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3cf3 s ARG 155 Cb -0.16 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.67 3cf3 s ARG 155 CO 0.07 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.26 3cf3 n GLY 156 N -0.60 4.62 2.12 -3.53 0.00 -0.72 -4.99 105.19 102.09 3cf3 n GLY 156 Ca -0.08 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 3cf3 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf3 n GLY 157 N -1.96 0.47 4.06 -0.02 0.00 -1.25 -3.52 105.19 102.96 3cf3 n GLY 157 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3cf3 n GLY 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cf3 n MET 158 N -1.80 -3.36 -4.01 1.61 0.00 -0.96 -4.85 117.12 103.75 3cf3 n MET 158 Ca -0.01 0.40 0.03 0.00 0.00 0.00 0.00 57.70 58.12 3cf3 n MET 158 Cb 0.52 -4.78 0.01 0.00 0.00 0.00 0.00 33.22 28.98 3cf3 n MET 158 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3cf3 s ARG 159 N -6.71 0.34 -0.04 0.03 1.70 -1.23 -4.94 118.95 108.09 3cf3 s ARG 159 Ca 0.31 -0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.37 3cf3 s ARG 159 Cb -0.17 0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.32 3cf3 s ARG 159 CO 0.90 -0.16 -0.04 0.00 -1.08 0.00 0.00 175.30 174.92 3cf3 s ALA 160 N -2.01 0.63 -0.04 7.88 0.00 -1.26 -1.76 121.76 125.19 3cf3 s ALA 160 Ca 0.30 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.28 3cf3 s ALA 160 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3cf3 s ALA 160 CO -0.01 0.01 -0.25 0.08 0.00 0.00 0.00 175.76 175.59 3cf3 s VAL 161 N 0.78 2.07 -0.22 0.00 1.01 -0.38 -4.86 120.40 118.80 3cf3 s VAL 161 Ca -0.10 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 3cf3 s VAL 161 Cb -0.13 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3cf3 s VAL 161 CO 0.00 0.57 0.14 -1.61 0.00 0.00 0.00 175.10 174.20 3cf3 s GLU 162 N -0.34 4.09 -0.01 2.72 2.02 -1.26 -1.69 118.70 124.23 3cf3 s GLU 162 Ca 0.02 -0.27 0.06 0.00 0.02 0.00 0.00 54.97 54.80 3cf3 s GLU 162 Cb -0.12 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 3cf3 s GLU 162 CO 0.02 0.17 -0.19 -0.06 0.02 0.00 0.00 175.26 175.21 3cf3 s PHE 163 N 0.74 2.54 -0.23 1.61 0.08 -0.62 -1.21 117.98 120.90 3cf3 s PHE 163 Ca 0.07 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 3cf3 s PHE 163 Cb -0.12 -1.53 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 3cf3 s PHE 163 CO 0.02 0.15 -0.10 0.21 -0.10 0.00 0.00 175.22 175.40 3cf3 s LYS 164 N -0.96 2.93 -0.39 0.44 2.20 -0.74 -1.77 119.74 121.44 3cf3 s LYS 164 Ca 0.12 -0.90 -0.27 0.00 -0.36 0.00 0.00 55.97 54.56 3cf3 s LYS 164 Cb -0.10 -2.88 -0.05 0.00 -1.51 0.00 0.00 37.83 33.28 3cf3 s LYS 164 CO 0.02 -0.33 2.26 0.08 -0.36 0.00 0.00 175.35 177.02 3cf3 s VAL 165 N 1.33 3.07 -0.07 4.02 1.01 -0.58 -3.05 120.40 126.13 3cf3 s VAL 165 Ca 0.02 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 3cf3 s VAL 165 Cb -0.15 -3.13 -0.27 0.00 0.00 0.00 0.00 36.38 32.83 3cf3 s VAL 165 CO -0.06 -0.11 0.92 0.58 0.00 0.00 0.00 175.10 176.42 3cf3 h VAL 166 N 7.38 1.60 -2.46 2.92 2.07 -0.53 0.56 116.25 127.79 3cf3 h VAL 166 Ca -0.31 -2.27 -0.08 0.00 0.82 0.00 0.00 66.70 64.87 3cf3 h VAL 166 Cb 1.24 3.08 -0.25 0.00 -1.52 0.00 0.00 31.29 33.84 3cf3 h VAL 166 CO 1.08 0.62 -0.25 -0.70 0.02 0.00 0.00 177.57 178.35 3cf3 s GLU 167 N -2.65 0.45 -0.13 1.57 2.56 -1.06 -4.73 118.70 114.71 3cf3 s GLU 167 Ca -0.16 0.96 0.01 0.00 0.00 0.00 0.00 54.97 55.78 3cf3 s GLU 167 Cb -0.00 0.13 -0.01 0.00 2.00 0.00 0.00 34.13 36.26 3cf3 s GLU 167 CO 0.76 -0.18 -0.16 0.95 -0.56 0.00 0.00 175.26 176.07 3cf3 s THR 168 N 1.80 2.74 0.03 -1.70 -4.23 -1.26 -0.21 115.64 112.81 3cf3 s THR 168 Ca -0.08 -0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.56 3cf3 s THR 168 Cb -0.09 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3cf3 s THR 168 CO -0.14 0.53 1.17 -0.78 -0.54 0.00 0.00 174.62 174.85 3cf3 h ASP 169 N 6.82 -0.51 0.00 3.99 1.82 -0.99 -0.48 116.42 127.07 3cf3 h ASP 169 Ca -0.25 0.06 -0.16 0.00 -0.39 0.00 0.00 57.03 56.28 3cf3 h ASP 169 Cb 1.22 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.41 3cf3 h ASP 169 CO 0.54 -0.15 1.01 -2.65 -1.61 0.00 0.00 179.24 176.37 3cf3 n PRO 170 N -3.41 1.12 -1.57 0.28 -0.02 -1.26 -4.88 135.00 125.26 3cf3 n PRO 170 Ca -0.02 -0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 60.30 3cf3 n PRO 170 Cb 0.12 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3cf3 n PRO 170 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cf3 n SER 171 N 3.49 0.70 0.05 2.55 2.88 -0.19 -2.89 113.62 120.22 3cf3 n SER 171 Ca 0.24 0.98 -0.05 0.00 -1.33 0.00 0.00 58.87 58.71 3cf3 n SER 171 Cb 0.26 -1.30 -0.09 0.00 -0.75 0.00 0.00 64.21 62.32 3cf3 n SER 171 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3cf3 h PRO 172 N 1.25 0.00 -6.37 -1.46 0.13 -1.89 -3.49 132.00 120.17 3cf3 h PRO 172 Ca -0.44 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 3cf3 h PRO 172 Cb 1.35 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.29 3cf3 h PRO 172 CO 0.55 0.70 -0.82 1.52 -0.23 0.00 0.00 178.00 179.72 3cf3 s TYR 173 N -2.76 2.06 0.24 1.56 -0.85 -1.14 -1.09 117.35 115.37 3cf3 s TYR 173 Ca -0.00 -0.41 -0.21 0.00 -0.52 0.00 0.00 57.07 55.93 3cf3 s TYR 173 Cb 0.09 -1.06 0.04 0.00 0.38 0.00 0.00 41.96 41.41 3cf3 s TYR 173 CO 0.81 0.37 0.67 0.00 -1.52 0.00 0.00 175.55 175.88 3cf3 s ILE 175 N -3.87 5.48 -0.81 0.00 1.01 -1.25 -2.37 121.20 119.38 3cf3 s ILE 175 Ca 0.08 0.23 -0.23 0.00 0.00 0.00 0.00 60.65 60.73 3cf3 s ILE 175 Cb -0.04 -3.42 0.07 0.00 0.01 0.00 0.00 42.46 39.08 3cf3 s ILE 175 CO 0.00 0.60 1.18 -0.69 0.00 0.00 0.00 174.94 176.03 3cf3 s VAL 176 N -0.86 4.17 0.02 2.92 1.01 -0.52 -0.91 120.40 126.22 3cf3 s VAL 176 Ca 0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3cf3 s VAL 176 Cb -0.12 -4.84 -0.05 0.00 0.00 0.00 0.00 36.38 31.37 3cf3 s VAL 176 CO 0.04 -1.67 0.25 0.00 0.00 0.00 0.00 175.10 173.71 3cf3 s ALA 177 N 4.39 3.88 -0.06 5.51 0.00 -1.26 -2.12 121.76 132.11 3cf3 s ALA 177 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.64 3cf3 s ALA 177 Cb -0.09 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3cf3 s ALA 177 CO 0.03 0.69 0.31 -0.35 0.00 0.00 0.00 175.76 176.44 3cf3 n PRO 178 N 0.93 0.00 -0.13 0.00 -0.04 -1.26 0.63 135.00 135.14 3cf3 n PRO 178 Ca -0.10 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.18 3cf3 n PRO 178 Cb 0.53 -1.78 -0.12 0.00 -0.04 0.00 0.00 33.50 32.09 3cf3 n PRO 178 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3cf3 n ASP 179 N -0.81 1.98 -4.51 3.54 9.92 -1.26 -4.97 116.55 120.44 3cf3 n ASP 179 Ca 0.00 -0.07 -0.55 0.00 -0.53 0.00 0.00 54.79 53.64 3cf3 n ASP 179 Cb 0.28 -0.48 -0.07 0.00 -0.64 0.00 0.00 41.12 40.22 3cf3 n ASP 179 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3cf3 n THR 180 N -3.40 0.38 -2.86 -3.53 -1.04 0.21 -4.91 114.28 99.13 3cf3 n THR 180 Ca -0.47 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.05 61.12 3cf3 n THR 180 Cb 0.98 -0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 69.20 3cf3 n THR 180 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3cf3 s VAL 181 N -0.08 4.53 -0.05 12.58 1.01 0.48 -4.89 120.40 133.98 3cf3 s VAL 181 Ca 0.84 1.21 0.02 0.00 0.00 0.00 0.00 61.98 64.06 3cf3 s VAL 181 Cb -1.12 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 31.64 3cf3 s VAL 181 CO 0.55 -0.35 -0.10 -0.63 0.00 0.00 0.00 175.10 174.56 3cf3 s ILE 182 N -2.20 0.94 0.25 2.22 1.01 -1.26 -1.54 121.20 120.62 3cf3 s ILE 182 Ca 0.58 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.91 3cf3 s ILE 182 Cb -0.10 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3cf3 s ILE 182 CO 0.19 0.30 0.17 -1.00 0.00 0.00 0.00 174.94 174.60 3cf3 s HIS 183 N 0.52 3.06 -0.47 3.97 3.76 0.68 -4.96 115.29 121.85 3cf3 s HIS 183 Ca -0.10 -0.12 0.06 0.00 -0.15 0.00 0.00 55.06 54.75 3cf3 s HIS 183 Cb -0.13 -1.38 0.18 0.00 1.11 0.00 0.00 32.58 32.36 3cf3 s HIS 183 CO 0.02 0.53 0.58 0.00 -0.85 0.00 0.00 174.74 175.02 3cf3 n GLU 185 N 2.98 0.00 -3.25 0.00 -0.58 -1.26 -4.75 120.64 113.77 3cf3 n GLU 185 Ca 0.22 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.73 3cf3 n GLU 185 Cb 0.53 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 30.38 3cf3 n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cf3 n GLY 186 N -0.12 -0.19 2.56 0.62 0.00 -1.26 -4.84 105.19 101.96 3cf3 n GLY 186 Ca 0.00 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3cf3 n GLY 186 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cf3 s GLU 187 N -4.64 0.67 0.07 1.61 2.56 -1.26 -5.13 118.70 112.58 3cf3 s GLU 187 Ca 0.37 -1.31 -0.37 0.00 0.00 0.00 0.00 54.97 53.66 3cf3 s GLU 187 Cb -0.21 -1.08 -0.18 0.00 2.00 0.00 0.00 34.13 34.66 3cf3 s GLU 187 CO 0.56 -1.25 1.12 -2.30 -0.56 0.00 0.00 175.26 172.84 3cf3 n PRO 188 N 3.83 0.56 -3.27 4.30 -0.02 -1.26 -4.85 135.00 134.30 3cf3 n PRO 188 Ca 0.15 0.20 -0.38 0.00 -2.02 0.00 0.00 63.50 61.45 3cf3 n PRO 188 Cb 0.42 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 3cf3 n PRO 188 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3cf3 s ILE 189 N 0.03 4.74 0.62 4.25 -4.36 -0.24 -4.58 121.20 121.66 3cf3 s ILE 189 Ca 0.83 1.19 -0.16 0.00 -0.26 0.00 0.00 60.65 62.25 3cf3 s ILE 189 Cb -1.07 -3.89 -0.02 0.00 1.25 0.00 0.00 42.46 38.74 3cf3 s ILE 189 CO 0.53 0.51 1.11 -0.54 0.24 0.00 0.00 174.94 176.79 3cf3 s LYS 190 N -1.23 3.00 -0.04 0.37 1.02 -1.26 -2.40 119.74 119.20 3cf3 s LYS 190 Ca 0.30 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.42 3cf3 s LYS 190 Cb -0.19 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3cf3 s LYS 190 CO 0.19 -1.10 1.14 0.50 -0.92 0.00 0.00 175.35 175.17 3cf3 s ARG 191 N -3.89 4.40 0.47 1.68 3.52 -1.26 -4.96 118.95 118.91 3cf3 s ARG 191 Ca 0.68 1.61 -0.22 0.00 -0.13 0.00 0.00 55.73 57.67 3cf3 s ARG 191 Cb -0.21 -3.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 3cf3 s ARG 191 CO 0.37 -0.36 1.11 -1.21 -0.81 0.00 0.00 175.30 174.40 3cf3 s GLU 192 N 1.90 3.77 0.00 5.12 0.41 -1.26 -4.99 118.70 123.65 3cf3 s GLU 192 Ca 0.54 1.60 0.00 0.00 -0.41 0.00 0.00 54.97 56.71 3cf3 s GLU 192 Cb -0.24 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 3cf3 s GLU 192 CO 0.23 -0.50 0.70 -3.47 -0.49 0.00 0.00 175.26 171.73 3cf3 n ASP 193 N -0.65 0.00 -0.42 -0.19 2.03 -1.26 -1.94 116.55 114.11 3cf3 n ASP 193 Ca 0.08 0.70 0.00 0.00 0.52 0.00 0.00 54.79 56.09 3cf3 n ASP 193 Cb 0.50 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 3cf3 n ASP 193 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3cf3 n GLU 194 N -1.57 0.00 -3.66 -0.67 0.00 -1.26 -4.39 120.64 109.09 3cf3 n GLU 194 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 3cf3 n GLU 194 Cb 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 31.44 30.37 3cf3 n GLU 194 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3cf3 s GLU 195 N -1.11 2.75 0.30 3.44 2.02 -0.82 -5.07 118.70 120.21 3cf3 s GLU 195 Ca 0.00 -2.59 -0.30 0.00 0.02 0.00 0.00 54.97 52.10 3cf3 s GLU 195 Cb 0.00 -3.84 -0.12 0.00 0.10 0.00 0.00 34.13 30.28 3cf3 s GLU 195 CO 0.00 -1.20 1.59 0.39 0.02 0.00 0.00 175.26 176.06 3cf3 n GLU 196 N 3.44 2.69 -2.12 1.61 1.02 -1.26 -4.78 120.64 121.25 3cf3 n GLU 196 Ca 0.10 0.96 -0.41 0.00 -0.02 0.00 0.00 57.16 57.78 3cf3 n GLU 196 Cb 0.39 -2.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.05 3cf3 n GLU 196 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3cf3 s SER 197 N 0.46 6.78 0.00 1.62 0.15 -1.26 -4.84 113.70 116.61 3cf3 s SER 197 Ca 0.63 2.52 0.25 0.00 0.70 0.00 0.00 55.95 60.06 3cf3 s SER 197 Cb -0.50 -2.62 1.48 0.00 -1.71 0.00 0.00 66.02 62.68 3cf3 s SER 197 CO 0.49 -0.61 1.84 0.18 1.20 0.00 0.00 173.24 176.34 3cf3 n LEU 198 N 2.52 0.00 0.14 3.45 4.77 -1.26 -2.62 117.00 124.00 3cf3 n LEU 198 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 3cf3 n LEU 198 Cb 0.42 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.61 3cf3 n LEU 198 CO 0.59 0.00 0.47 -1.13 -1.33 0.00 0.00 177.39 175.99 3cf3 h ASN 199 N 0.00 0.00 -2.36 -1.43 -1.24 -1.99 -3.46 115.58 105.10 3cf3 h ASN 199 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.81 3cf3 h ASN 199 Cb 0.00 0.00 0.10 0.00 0.73 0.00 0.00 38.32 39.15 3cf3 h ASN 199 CO 0.00 0.57 0.04 -0.62 -1.29 0.00 0.00 177.43 176.13 3cf3 n GLU 200 N -3.39 -2.31 -3.07 6.67 1.02 -1.08 -5.03 120.64 113.46 3cf3 n GLU 200 Ca 0.01 -0.86 -0.33 0.00 -0.02 0.00 0.00 57.16 55.96 3cf3 n GLU 200 Cb 0.70 -0.85 -0.06 0.00 -0.02 0.00 0.00 31.44 31.21 3cf3 n GLU 200 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3cf3 s VAL 201 N -1.93 4.60 0.28 2.62 1.01 -1.26 -5.03 120.40 120.69 3cf3 s VAL 201 Ca 0.36 1.11 -0.20 0.00 0.00 0.00 0.00 61.98 63.25 3cf3 s VAL 201 Cb -0.04 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.75 3cf3 s VAL 201 CO 0.28 -0.15 0.87 -0.83 0.00 0.00 0.00 175.10 175.26 3cf3 s GLY 202 N -2.17 0.13 0.37 4.51 0.00 -1.26 -4.66 107.32 104.25 3cf3 s GLY 202 Ca 0.54 -0.44 0.26 0.00 0.00 0.00 0.00 44.72 45.08 3cf3 s GLY 202 CO 0.17 0.47 1.79 -0.97 0.00 0.00 0.00 173.10 174.56 3cf3 h TYR 203 N 2.00 0.00 0.00 1.90 0.05 -1.95 -0.18 116.97 118.79 3cf3 h TYR 203 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3cf3 h TYR 203 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3cf3 h TYR 203 CO 1.05 0.00 0.00 -0.40 -1.05 0.00 0.00 178.16 177.76 3cf3 n ASP 204 N -2.41 0.21 -0.53 3.88 5.75 -1.26 -3.10 116.55 119.08 3cf3 n ASP 204 Ca -0.01 0.52 0.11 0.00 -0.01 0.00 0.00 54.79 55.40 3cf3 n ASP 204 Cb 0.09 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 39.61 3cf3 n ASP 204 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cf3 n ASP 205 N -1.70 2.10 -4.48 -1.12 8.00 -0.08 -4.92 116.55 114.35 3cf3 n ASP 205 Ca 0.06 -1.55 -0.35 0.00 0.71 0.00 0.00 54.79 53.66 3cf3 n ASP 205 Cb 0.33 0.42 -0.12 0.00 -0.02 0.00 0.00 41.12 41.73 3cf3 n ASP 205 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3cf3 s ILE 206 N -2.34 4.18 0.11 0.53 -4.36 -1.18 -4.98 121.20 113.16 3cf3 s ILE 206 Ca 0.19 -0.23 0.10 0.00 -0.26 0.00 0.00 60.65 60.45 3cf3 s ILE 206 Cb 0.18 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 3cf3 s ILE 206 CO 0.52 0.41 -0.24 -0.83 0.24 0.00 0.00 174.94 175.04 3cf3 s GLY 207 N 1.05 1.58 0.00 6.27 0.00 -1.26 -4.71 107.32 110.25 3cf3 s GLY 207 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3cf3 s GLY 207 CO 0.02 -1.34 0.00 0.61 0.00 0.00 0.00 173.10 172.39 3cf3 n GLY 208 N 1.06 2.22 3.30 0.20 0.00 -1.26 -4.79 105.19 105.93 3cf3 n GLY 208 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3cf3 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n ARG 210 N 3.09 0.00 -0.40 0.00 1.74 -1.26 -3.71 116.66 116.12 3cf3 n ARG 210 Ca 0.20 0.10 0.36 0.00 -0.77 0.00 0.00 57.85 57.74 3cf3 n ARG 210 Cb 0.41 -0.49 0.63 0.00 -1.02 0.00 0.00 32.46 31.99 3cf3 n ARG 210 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3cf3 h LYS 211 N 0.00 0.03 0.61 5.56 1.79 -2.00 0.82 116.57 123.38 3cf3 h LYS 211 Ca 0.00 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3cf3 h LYS 211 Cb 0.00 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3cf3 h LYS 211 CO 0.00 0.02 -0.29 1.96 -1.08 0.00 0.00 179.45 180.06 3cf3 h GLN 212 N 0.04 -0.79 -0.99 3.15 7.50 -1.91 -2.89 115.11 119.22 3cf3 h GLN 212 Ca 0.85 0.05 0.20 0.00 0.50 0.00 0.00 58.65 60.26 3cf3 h GLN 212 Cb 2.50 0.18 -0.10 0.00 0.05 0.00 0.00 27.48 30.11 3cf3 h GLN 212 CO -0.59 -0.50 0.62 -0.07 -1.50 0.00 0.00 178.83 176.79 3cf3 h LEU 213 N -1.17 0.66 0.02 1.46 3.38 -0.98 -1.21 115.31 117.47 3cf3 h LEU 213 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cf3 h LEU 213 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3cf3 h LEU 213 CO 0.14 0.23 -0.15 0.00 0.09 0.00 0.00 178.44 178.75 3cf3 h ALA 214 N 1.64 -0.65 -0.15 1.53 0.00 -1.14 -0.81 119.26 119.67 3cf3 h ALA 214 Ca 0.56 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.47 3cf3 h ALA 214 Cb 1.04 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 3cf3 h ALA 214 CO -0.33 -0.69 -0.38 1.96 0.00 0.00 0.00 179.25 179.81 3cf3 h GLN 215 N -0.20 -0.36 -1.17 0.00 4.20 -1.04 -1.81 115.11 114.74 3cf3 h GLN 215 Ca 0.00 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.10 3cf3 h GLN 215 Cb 0.21 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 27.95 3cf3 h GLN 215 CO -0.09 -0.24 0.74 0.82 -0.67 0.00 0.00 178.83 179.39 3cf3 h ILE 216 N -0.37 0.28 0.17 2.54 2.04 -1.20 -2.77 117.51 118.19 3cf3 h ILE 216 Ca 0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3cf3 h ILE 216 Cb 0.46 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3cf3 h ILE 216 CO -0.34 0.04 -0.08 0.11 0.00 0.00 0.00 178.15 177.88 3cf3 h LYS 217 N 0.22 -0.22 -0.37 2.37 1.57 -0.24 -2.77 116.57 117.13 3cf3 h LYS 217 Ca 0.73 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.64 3cf3 h LYS 217 Cb 2.08 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.42 3cf3 h LYS 217 CO -0.42 -0.14 0.62 1.05 -0.57 0.00 0.00 179.45 179.99 3cf3 h GLU 218 N -0.25 0.00 -0.05 3.15 4.11 -1.44 0.34 114.58 120.44 3cf3 h GLU 218 Ca -0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 3cf3 h GLU 218 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3cf3 h GLU 218 CO 0.04 0.00 -0.08 0.52 0.07 0.00 0.00 179.01 179.56 3cf3 h MET 219 N 0.00 0.14 -0.01 1.06 2.86 -1.40 -3.31 114.93 114.26 3cf3 h MET 219 Ca 0.18 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3cf3 h MET 219 Cb 1.41 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.08 3cf3 h MET 219 CO -0.00 0.65 -0.40 1.33 1.06 0.00 0.00 176.91 179.55 3cf3 n VAL 220 N -4.70 0.00 0.00 -2.22 0.24 0.06 -4.62 118.33 107.09 3cf3 n VAL 220 Ca -0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3cf3 n VAL 220 Cb 0.33 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3cf3 n VAL 220 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3cf3 n GLU 221 N -0.32 0.00 -0.19 7.34 4.07 0.99 -1.69 120.64 130.84 3cf3 n GLU 221 Ca 0.10 0.19 -0.02 0.00 -0.06 0.00 0.00 57.16 57.37 3cf3 n GLU 221 Cb 0.41 -0.90 0.04 0.00 -0.06 0.00 0.00 31.44 30.94 3cf3 n GLU 221 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3cf3 h LEU 222 N 0.00 -0.61 -0.44 4.31 3.38 -1.82 -0.60 115.31 119.53 3cf3 h LEU 222 Ca 0.00 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3cf3 h LEU 222 Cb 0.00 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3cf3 h LEU 222 CO 0.00 -0.21 0.13 1.55 0.09 0.00 0.00 178.44 180.01 3cf3 h PRO 223 N -0.03 0.68 0.00 1.13 0.13 -1.82 0.20 132.00 132.29 3cf3 h PRO 223 Ca 0.27 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3cf3 h PRO 223 Cb 0.44 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.47 3cf3 h PRO 223 CO -0.60 0.66 -0.67 -0.07 -0.23 0.00 0.00 178.00 177.10 3cf3 h LEU 224 N 0.57 0.00 0.00 1.56 4.07 -1.22 -3.33 115.31 116.96 3cf3 h LEU 224 Ca 0.14 -0.14 -0.29 0.00 0.08 0.00 0.00 57.88 57.67 3cf3 h LEU 224 Cb 0.27 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 3cf3 h LEU 224 CO -0.00 0.07 -2.11 0.54 -1.08 0.00 0.00 178.44 175.85 3cf3 n ARG 225 N -2.33 0.93 -3.29 1.13 5.12 -0.24 -4.76 116.66 113.22 3cf3 n ARG 225 Ca 0.03 0.06 -0.26 0.00 -1.93 0.00 0.00 57.85 55.75 3cf3 n ARG 225 Cb 0.47 -1.40 -0.07 0.00 -1.16 0.00 0.00 32.46 30.30 3cf3 n ARG 225 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3cf3 n HIS 226 N -2.86 2.73 -0.01 -1.55 8.25 0.69 -4.97 115.22 117.51 3cf3 n HIS 226 Ca -0.31 -4.00 -0.07 0.00 -0.26 0.00 0.00 57.72 53.08 3cf3 n HIS 226 Cb 0.94 -0.50 -0.05 0.00 1.12 0.00 0.00 29.99 31.50 3cf3 n HIS 226 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf3 h PRO 227 N 3.90 -0.26 -0.66 -0.41 0.11 -1.68 -2.70 132.00 130.29 3cf3 h PRO 227 Ca 0.16 0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.48 3cf3 h PRO 227 Cb 0.70 0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.74 3cf3 h PRO 227 CO 0.74 -0.18 0.04 0.00 -0.21 0.00 0.00 178.00 178.40 3cf3 n ALA 228 N -2.79 0.37 -0.33 -0.75 0.00 -1.26 -0.51 120.51 115.25 3cf3 n ALA 228 Ca -0.03 0.71 0.15 0.00 0.00 0.00 0.00 53.44 54.27 3cf3 n ALA 228 Cb 0.18 -0.53 0.30 0.00 0.00 0.00 0.00 19.45 19.40 3cf3 n ALA 228 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3cf3 h LEU 229 N 0.00 -0.34 -0.25 0.00 5.85 -1.83 1.04 115.31 119.77 3cf3 h LEU 229 Ca 0.42 0.26 0.00 0.00 0.84 0.00 0.00 57.88 59.40 3cf3 h LEU 229 Cb 0.88 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3cf3 h LEU 229 CO -0.62 -0.32 0.00 0.49 -0.34 0.00 0.00 178.44 177.66 3cf3 n PHE 230 N -5.42 0.84 0.46 1.25 3.72 0.34 -0.09 117.46 118.56 3cf3 n PHE 230 Ca 0.23 0.27 0.11 0.00 -0.05 0.00 0.00 57.45 58.02 3cf3 n PHE 230 Cb 0.76 -0.94 0.46 0.00 -0.94 0.00 0.00 39.48 38.82 3cf3 n PHE 230 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3cf3 n LYS 231 N -2.21 0.17 0.00 -1.08 4.81 0.36 -3.65 118.16 116.55 3cf3 n LYS 231 Ca 0.04 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3cf3 n LYS 231 Cb 0.35 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3cf3 n LYS 231 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf3 n ALA 232 N -1.73 1.55 -2.43 3.14 0.00 -0.96 -5.04 120.51 115.04 3cf3 n ALA 232 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 3cf3 n ALA 232 Cb 0.25 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 3cf3 n ALA 232 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3cf3 s ILE 233 N -1.55 4.87 -0.23 0.00 1.10 0.88 -4.95 121.20 121.31 3cf3 s ILE 233 Ca 0.00 1.24 -0.05 0.00 -0.51 0.00 0.00 60.65 61.34 3cf3 s ILE 233 Cb 0.00 -3.93 -0.09 0.00 0.15 0.00 0.00 42.46 38.59 3cf3 s ILE 233 CO 0.00 0.45 3.14 0.61 -2.11 0.00 0.00 174.94 177.02 3cf3 n GLY 234 N 2.28 3.67 3.15 1.50 0.00 -1.26 -4.68 105.19 109.85 3cf3 n GLY 234 Ca -0.08 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3cf3 n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf3 s VAL 235 N -0.69 1.52 -0.14 1.61 1.01 -1.26 -5.12 120.40 117.32 3cf3 s VAL 235 Ca 0.61 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 3cf3 s VAL 235 Cb 0.34 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3cf3 s VAL 235 CO -0.11 0.44 0.66 -1.59 0.00 0.00 0.00 175.10 174.50 3cf3 s LYS 236 N 0.09 4.31 -0.14 2.72 -2.85 -1.26 -4.96 119.74 117.65 3cf3 s LYS 236 Ca -0.06 0.74 -0.26 0.00 -1.00 0.00 0.00 55.97 55.40 3cf3 s LYS 236 Cb -0.13 -3.52 -0.02 0.00 -2.06 0.00 0.00 37.83 32.11 3cf3 s LYS 236 CO 0.03 -0.11 0.84 -1.25 0.10 0.00 0.00 175.35 174.95 3cf3 s PRO 237 N 1.45 4.34 -0.27 1.78 0.04 -1.26 -4.95 135.00 136.13 3cf3 s PRO 237 Ca 0.33 1.05 -0.39 0.00 0.04 0.00 0.00 61.00 62.03 3cf3 s PRO 237 Cb -0.16 -3.55 -0.18 0.00 0.04 0.00 0.00 34.50 30.65 3cf3 s PRO 237 CO 0.13 -0.25 1.23 -0.35 0.04 0.00 0.00 177.00 177.79 3cf3 n PRO 238 N 4.91 0.00 0.03 0.56 -0.04 -1.26 -4.83 135.00 134.37 3cf3 n PRO 238 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 3cf3 n PRO 238 Cb 0.49 -1.32 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 3cf3 n PRO 238 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cf3 h ARG 239 N 3.71 0.26 -5.27 0.54 3.08 -1.88 -3.47 114.38 111.35 3cf3 h ARG 239 Ca -0.41 -0.44 -0.68 0.00 0.07 0.00 0.00 59.98 58.52 3cf3 h ARG 239 Cb 1.22 0.16 -0.33 0.00 0.08 0.00 0.00 29.97 31.10 3cf3 h ARG 239 CO 0.75 1.21 -0.87 0.20 -1.07 0.00 0.00 179.97 180.19 3cf3 s GLY 240 N -4.57 1.35 -0.15 0.04 0.00 -0.45 -2.05 107.32 101.49 3cf3 s GLY 240 Ca -0.16 -1.03 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 3cf3 s GLY 240 CO 0.80 -0.18 -0.08 -0.42 0.00 0.00 0.00 173.10 173.21 3cf3 s ILE 241 N 0.57 3.43 -0.13 0.90 1.01 -0.87 -3.03 121.20 123.07 3cf3 s ILE 241 Ca -0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3cf3 s ILE 241 Cb -0.17 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3cf3 s ILE 241 CO 0.04 0.50 -0.08 -0.22 0.00 0.00 0.00 174.94 175.17 3cf3 s LEU 242 N 0.53 3.00 -0.28 2.97 2.96 -0.58 -1.16 118.68 126.13 3cf3 s LEU 242 Ca -0.06 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3cf3 s LEU 242 Cb -0.15 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 3cf3 s LEU 242 CO 0.03 0.19 0.09 -0.76 -1.32 0.00 0.00 176.35 174.59 3cf3 s LEU 243 N 0.20 3.78 0.85 -0.68 1.02 0.17 -1.59 118.68 122.43 3cf3 s LEU 243 Ca -0.05 -0.52 -0.09 0.00 0.02 0.00 0.00 54.13 53.50 3cf3 s LEU 243 Cb -0.14 -1.92 0.17 0.00 0.02 0.00 0.00 46.19 44.32 3cf3 s LEU 243 CO 0.04 -0.15 1.17 -0.31 0.02 0.00 0.00 176.35 177.13 3cf3 s TYR 244 N 1.56 1.51 0.00 0.29 2.02 0.32 -1.93 117.35 121.12 3cf3 s TYR 244 Ca 0.04 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3cf3 s TYR 244 Cb -0.16 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.80 3cf3 s TYR 244 CO 0.04 -2.24 0.00 0.41 -1.57 0.00 0.00 175.55 172.18 3cf3 n GLY 245 N -3.34 3.54 3.83 0.71 0.00 -1.22 -3.41 105.19 105.29 3cf3 n GLY 245 Ca 0.16 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 3cf3 n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cf3 s PRO 246 N -4.21 2.15 -0.06 1.61 0.04 -1.26 -4.08 135.00 129.19 3cf3 s PRO 246 Ca 0.00 0.53 -0.32 0.00 0.04 0.00 0.00 61.00 61.26 3cf3 s PRO 246 Cb 0.00 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 3cf3 s PRO 246 CO 0.00 -1.55 1.99 -2.30 0.04 0.00 0.00 177.00 175.18 3cf3 n PRO 247 N -3.37 2.41 0.00 0.56 -0.02 -1.26 -2.29 135.00 131.03 3cf3 n PRO 247 Ca 0.07 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3cf3 n PRO 247 Cb 0.57 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 3cf3 n PRO 247 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf3 n GLY 248 N 4.77 1.80 0.24 -1.23 0.00 -1.26 -4.96 105.19 104.55 3cf3 n GLY 248 Ca 0.23 -0.53 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3cf3 n GLY 248 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cf3 n THR 249 N 0.00 -0.29 0.00 2.61 -1.04 -0.97 -3.31 114.28 111.29 3cf3 n THR 249 Ca 0.00 1.55 0.00 0.00 -2.04 0.00 0.00 64.05 63.56 3cf3 n THR 249 Cb 0.00 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.35 3cf3 n THR 249 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cf3 n GLY 250 N -1.42 1.00 0.13 3.41 0.00 -1.26 -4.41 105.19 102.63 3cf3 n GLY 250 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3cf3 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf3 h LYS 251 N 0.00 -0.13 0.35 1.61 1.57 -1.91 -2.85 116.57 115.22 3cf3 h LYS 251 Ca 0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3cf3 h LYS 251 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3cf3 h LYS 251 CO 0.00 -0.08 -0.28 1.15 -0.57 0.00 0.00 179.45 179.67 3cf3 h THR 252 N -0.13 0.42 -0.86 -0.16 2.02 -1.98 -2.62 112.91 109.60 3cf3 h THR 252 Ca 0.04 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.30 3cf3 h THR 252 Cb 0.18 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 66.90 3cf3 h THR 252 CO -0.10 0.00 -0.58 0.25 0.37 0.00 0.00 175.52 175.46 3cf3 h LEU 253 N -0.63 -2.10 -0.25 2.58 6.46 -1.97 -0.75 115.31 118.65 3cf3 h LEU 253 Ca -0.03 0.31 0.05 0.00 -0.12 0.00 0.00 57.88 58.10 3cf3 h LEU 253 Cb 0.55 0.91 -0.08 0.00 -0.73 0.00 0.00 40.66 41.32 3cf3 h LEU 253 CO -0.01 -0.27 -0.43 0.40 -0.62 0.00 0.00 178.44 177.51 3cf3 h ILE 254 N -0.09 0.12 -1.00 4.05 2.04 -1.39 -0.84 117.51 120.41 3cf3 h ILE 254 Ca 0.14 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.22 3cf3 h ILE 254 Cb 0.45 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.54 3cf3 h ILE 254 CO -0.86 0.00 0.59 0.00 0.00 0.00 0.00 178.15 177.88 3cf3 h ALA 255 N 0.22 1.71 -0.06 1.87 0.00 -0.81 -0.82 119.26 121.37 3cf3 h ALA 255 Ca 0.10 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3cf3 h ALA 255 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3cf3 h ALA 255 CO -0.48 -0.18 -0.14 -0.09 0.00 0.00 0.00 179.25 178.36 3cf3 h ARG 256 N 0.65 0.21 -0.06 0.00 2.43 -0.19 -3.14 114.38 114.27 3cf3 h ARG 256 Ca 0.61 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.66 3cf3 h ARG 256 Cb 1.08 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3cf3 h ARG 256 CO -0.44 0.73 0.07 0.00 -1.51 0.00 0.00 179.97 178.83 3cf3 h ALA 257 N 0.47 1.61 -0.08 2.80 0.00 -0.30 -0.98 119.26 122.77 3cf3 h ALA 257 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3cf3 h ALA 257 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3cf3 h ALA 257 CO 0.03 -0.11 -0.01 0.28 0.00 0.00 0.00 179.25 179.44 3cf3 h VAL 258 N 0.00 1.28 -0.05 0.00 2.07 -1.14 -2.17 116.25 116.24 3cf3 h VAL 258 Ca 0.03 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3cf3 h VAL 258 Cb 0.18 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3cf3 h VAL 258 CO -0.00 0.25 -0.02 0.00 0.02 0.00 0.00 177.57 177.82 3cf3 h ALA 259 N 0.69 0.07 -0.05 1.67 0.00 -1.22 -2.64 119.26 117.79 3cf3 h ALA 259 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3cf3 h ALA 259 Cb 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3cf3 h ALA 259 CO 0.01 -0.20 0.04 -0.91 0.00 0.00 0.00 179.25 178.19 3cf3 h ASN 260 N -0.28 0.00 0.66 0.00 2.35 -1.29 0.81 115.58 117.83 3cf3 h ASN 260 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3cf3 h ASN 260 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3cf3 h ASN 260 CO 0.01 0.00 -0.36 1.21 -1.65 0.00 0.00 177.43 176.63 3cf3 n GLU 261 N -4.23 0.01 -0.02 0.81 4.07 -0.82 -3.59 120.64 116.88 3cf3 n GLU 261 Ca -0.02 0.01 0.01 0.00 -0.06 0.00 0.00 57.16 57.10 3cf3 n GLU 261 Cb 0.14 -1.51 0.02 0.00 -0.06 0.00 0.00 31.44 30.03 3cf3 n GLU 261 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3cf3 n THR 262 N -1.53 0.70 0.00 6.31 -2.24 -0.38 -4.29 114.28 112.85 3cf3 n THR 262 Ca 0.06 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 3cf3 n THR 262 Cb 0.34 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3cf3 n THR 262 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cf3 n GLY 263 N -0.18 1.44 3.62 3.38 0.00 0.14 -4.89 105.19 108.69 3cf3 n GLY 263 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3cf3 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n ALA 264 N 0.52 0.13 -1.78 4.61 0.00 -1.02 -4.95 120.51 118.03 3cf3 n ALA 264 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 3cf3 n ALA 264 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 3cf3 n ALA 264 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3cf3 s PHE 265 N -1.56 2.79 -0.18 0.00 5.36 -0.23 -4.51 117.98 119.65 3cf3 s PHE 265 Ca 0.76 1.55 -0.00 0.00 -0.96 0.00 0.00 56.93 58.28 3cf3 s PHE 265 Cb -0.40 -3.26 0.04 0.00 -0.34 0.00 0.00 43.02 39.06 3cf3 s PHE 265 CO 0.47 -1.39 -0.06 0.12 -1.46 0.00 0.00 175.22 172.89 3cf3 s PHE 266 N -1.76 1.83 -0.24 10.12 5.36 -1.26 -0.98 117.98 131.05 3cf3 s PHE 266 Ca 0.70 -1.20 -0.01 0.00 -0.96 0.00 0.00 56.93 55.46 3cf3 s PHE 266 Cb -0.23 -1.37 0.03 0.00 -0.34 0.00 0.00 43.02 41.11 3cf3 s PHE 266 CO 0.27 -0.65 -0.08 0.12 -1.46 0.00 0.00 175.22 173.42 3cf3 s PHE 267 N 1.59 3.07 -0.02 10.12 5.36 -0.41 -4.99 117.98 132.69 3cf3 s PHE 267 Ca -0.00 -1.70 -0.23 0.00 -0.96 0.00 0.00 56.93 54.04 3cf3 s PHE 267 Cb -0.16 -2.02 -0.05 0.00 -0.34 0.00 0.00 43.02 40.45 3cf3 s PHE 267 CO -0.08 -0.77 0.69 -1.17 -1.46 0.00 0.00 175.22 172.44 3cf3 s LEU 268 N 1.28 4.38 -0.26 6.12 2.96 -1.26 -1.75 118.68 130.15 3cf3 s LEU 268 Ca -0.01 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.17 3cf3 s LEU 268 Cb -0.17 -3.09 0.07 0.00 0.50 0.00 0.00 46.19 43.50 3cf3 s LEU 268 CO -0.05 -0.03 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.26 3cf3 s ILE 269 N 0.33 1.81 0.34 6.68 1.01 0.17 -4.97 121.20 126.58 3cf3 s ILE 269 Ca 0.36 -1.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 3cf3 s ILE 269 Cb -0.19 -2.06 -0.10 0.00 0.01 0.00 0.00 42.46 40.13 3cf3 s ILE 269 CO 0.19 -0.15 0.88 0.21 0.00 0.00 0.00 174.94 176.07 3cf3 s ASN 270 N 1.25 7.06 0.00 3.58 3.84 -1.26 0.49 114.94 129.90 3cf3 s ASN 270 Ca -0.05 1.63 0.00 0.00 0.21 0.00 0.00 52.86 54.65 3cf3 s ASN 270 Cb -0.19 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 3cf3 s ASN 270 CO -0.07 -0.17 0.72 0.61 -2.79 0.00 0.00 177.10 175.40 3cf3 n GLY 271 N 0.03 -2.29 0.24 1.21 0.00 -1.26 -3.01 105.19 100.11 3cf3 n GLY 271 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3cf3 n GLY 271 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cf3 h PRO 272 N 0.00 0.00 -0.21 1.61 0.11 -1.90 -1.73 132.00 129.87 3cf3 h PRO 272 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3cf3 h PRO 272 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3cf3 h PRO 272 CO 0.00 0.00 0.10 1.49 -0.21 0.00 0.00 178.00 179.38 3cf3 h GLU 273 N 0.00 0.21 0.00 1.05 4.57 -1.94 -0.69 114.58 117.78 3cf3 h GLU 273 Ca 0.00 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 3cf3 h GLU 273 Cb 0.19 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3cf3 h GLU 273 CO 0.00 0.14 -0.79 0.82 -1.18 0.00 0.00 179.01 177.99 3cf3 h ILE 274 N 0.22 0.59 -0.36 2.32 1.08 -1.23 -3.23 117.51 116.89 3cf3 h ILE 274 Ca 0.09 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 3cf3 h ILE 274 Cb 0.03 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 3cf3 h ILE 274 CO -0.07 0.34 0.00 0.23 -0.69 0.00 0.00 178.15 177.96 3cf3 n MET 275 N -3.06 1.92 -0.07 2.37 2.81 -0.97 -3.42 117.12 116.70 3cf3 n MET 275 Ca -0.02 -1.34 -0.08 0.00 -1.81 0.00 0.00 57.70 54.46 3cf3 n MET 275 Cb 0.73 -1.32 -0.10 0.00 -0.71 0.00 0.00 33.22 31.82 3cf3 n MET 275 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3cf3 n SER 276 N 0.56 1.85 -4.77 7.83 3.41 -0.28 -4.98 113.62 117.25 3cf3 n SER 276 Ca 0.12 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 3cf3 n SER 276 Cb 0.34 0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 64.87 3cf3 n SER 276 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3cf3 s LYS 277 N -2.33 4.20 0.41 4.33 -0.14 -1.22 -4.93 119.74 120.06 3cf3 s LYS 277 Ca -0.10 2.43 -0.23 0.00 -1.36 0.00 0.00 55.97 56.72 3cf3 s LYS 277 Cb 0.04 -3.02 -0.13 0.00 -1.68 0.00 0.00 37.83 33.04 3cf3 s LYS 277 CO 0.52 -0.43 0.53 1.28 -0.76 0.00 0.00 175.35 176.50 3cf3 n LEU 278 N 1.00 -0.15 -4.68 3.17 4.77 -1.26 -4.49 117.00 115.36 3cf3 n LEU 278 Ca 0.02 0.91 -0.47 0.00 -0.03 0.00 0.00 56.01 56.44 3cf3 n LEU 278 Cb 0.40 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.34 3cf3 n LEU 278 CO 0.62 -2.92 1.48 0.00 -1.33 0.00 0.00 177.39 175.24 3cf3 n ALA 279 N -0.83 1.00 0.00 -1.18 0.00 -1.26 -1.34 120.51 116.90 3cf3 n ALA 279 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3cf3 n ALA 279 Cb 0.39 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.33 3cf3 n ALA 279 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf3 n GLY 280 N 4.35 3.19 0.13 0.00 0.00 -1.26 -4.77 105.19 106.82 3cf3 n GLY 280 Ca 0.22 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.39 3cf3 n GLY 280 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cf3 h GLU 281 N 0.00 0.00 0.50 1.61 4.81 -1.53 -3.14 114.58 116.84 3cf3 h GLU 281 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3cf3 h GLU 281 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3cf3 h GLU 281 CO 0.00 0.00 -0.24 1.03 -0.73 0.00 0.00 179.01 179.07 3cf3 h SER 282 N 0.00 -0.57 0.00 1.04 0.87 -1.71 -1.66 113.55 111.52 3cf3 h SER 282 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3cf3 h SER 282 Cb 0.61 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3cf3 h SER 282 CO 0.00 -0.16 0.16 -0.33 -0.53 0.00 0.00 176.83 175.97 3cf3 h GLU 283 N -1.17 0.00 0.02 2.24 3.07 -1.88 -0.90 114.58 115.96 3cf3 h GLU 283 Ca -0.07 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3cf3 h GLU 283 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3cf3 h GLU 283 CO 0.11 0.00 -0.01 1.03 -1.40 0.00 0.00 179.01 178.74 3cf3 h SER 284 N 0.00 -0.02 -0.62 1.42 0.87 -1.44 -3.07 113.55 110.68 3cf3 h SER 284 Ca 0.00 -0.74 0.03 0.00 -1.23 0.00 0.00 61.79 59.84 3cf3 h SER 284 Cb 0.32 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3cf3 h SER 284 CO 0.00 0.79 0.38 0.78 -0.53 0.00 0.00 176.83 178.25 3cf3 h ASN 285 N -0.89 0.63 0.94 6.23 -0.26 -0.20 0.25 115.58 122.28 3cf3 h ASN 285 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3cf3 h ASN 285 Cb 0.76 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.90 3cf3 h ASN 285 CO 0.00 0.44 -0.45 -0.07 -1.06 0.00 0.00 177.43 176.29 3cf3 h LEU 286 N 0.76 -1.07 -0.47 1.61 3.38 -1.64 1.09 115.31 118.98 3cf3 h LEU 286 Ca 0.25 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.35 3cf3 h LEU 286 Cb 0.02 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 3cf3 h LEU 286 CO -0.10 -0.75 -0.10 0.03 0.09 0.00 0.00 178.44 177.61 3cf3 h ARG 287 N -1.29 0.02 -0.93 1.13 3.08 -1.50 0.02 114.38 114.91 3cf3 h ARG 287 Ca -0.13 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.99 3cf3 h ARG 287 Cb 0.97 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 3cf3 h ARG 287 CO 0.21 0.01 0.61 -0.22 -1.07 0.00 0.00 179.97 179.51 3cf3 h LYS 288 N 0.02 1.03 0.58 0.04 3.64 -0.23 -1.60 116.57 120.05 3cf3 h LYS 288 Ca 0.23 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3cf3 h LYS 288 Cb 0.34 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3cf3 h LYS 288 CO -0.47 0.68 -0.28 0.00 -2.27 0.00 0.00 179.45 177.11 3cf3 h ALA 289 N 1.50 -0.86 -0.42 5.00 0.00 0.28 -2.58 119.26 122.18 3cf3 h ALA 289 Ca 0.40 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3cf3 h ALA 289 Cb 0.21 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 3cf3 h ALA 289 CO -0.16 -0.80 -0.42 0.74 0.00 0.00 0.00 179.25 178.61 3cf3 h PHE 290 N -1.10 -1.22 -0.77 0.00 -1.00 -1.00 0.04 116.94 111.90 3cf3 h PHE 290 Ca -0.08 0.07 0.17 0.00 2.81 0.00 0.00 57.97 60.94 3cf3 h PHE 290 Cb 0.60 0.60 -0.14 0.00 3.61 0.00 0.00 35.95 40.62 3cf3 h PHE 290 CO 0.02 -0.43 -0.03 1.49 -1.61 0.00 0.00 178.31 177.74 3cf3 h GLU 291 N -0.31 0.08 0.00 1.51 4.81 -1.37 0.20 114.58 119.50 3cf3 h GLU 291 Ca 0.15 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3cf3 h GLU 291 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3cf3 h GLU 291 CO -0.58 0.05 0.00 1.49 -0.73 0.00 0.00 179.01 179.24 3cf3 h GLU 292 N 0.08 0.00 0.00 1.92 4.81 -0.73 -2.78 114.58 117.88 3cf3 h GLU 292 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3cf3 h GLU 292 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3cf3 h GLU 292 CO -0.70 0.00 -0.57 0.00 -0.73 0.00 0.00 179.01 177.01 3cf3 h ALA 293 N 2.03 0.68 0.00 2.92 0.00 0.11 -3.24 119.26 121.77 3cf3 h ALA 293 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3cf3 h ALA 293 Cb 0.68 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3cf3 h ALA 293 CO 0.00 0.00 -0.81 1.49 0.00 0.00 0.00 179.25 179.93 3cf3 h GLU 294 N 0.00 0.00 -0.12 0.00 4.81 -0.91 -3.12 114.58 115.24 3cf3 h GLU 294 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3cf3 h GLU 294 Cb 0.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3cf3 h GLU 294 CO 0.00 0.66 -0.34 0.87 -0.73 0.00 0.00 179.01 179.47 3cf3 h LYS 295 N 0.00 0.23 -0.27 1.92 1.57 -1.55 -3.18 116.57 115.29 3cf3 h LYS 295 Ca -0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3cf3 h LYS 295 Cb 1.57 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.87 3cf3 h LYS 295 CO 0.09 0.55 0.00 0.09 -0.57 0.00 0.00 179.45 179.61 3cf3 n ASN 296 N -4.09 2.85 -4.21 0.86 4.13 -1.24 -5.03 115.26 108.53 3cf3 n ASN 296 Ca -0.01 -1.84 -0.38 0.00 1.68 0.00 0.00 54.58 54.03 3cf3 n ASN 296 Cb 0.43 -0.18 0.02 0.00 -1.54 0.00 0.00 39.78 38.51 3cf3 n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cf3 n ALA 297 N 0.91 -3.48 -1.71 5.41 0.00 -1.18 -4.57 120.51 115.89 3cf3 n ALA 297 Ca 0.13 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 3cf3 n ALA 297 Cb 0.45 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.57 3cf3 n ALA 297 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3cf3 n PRO 298 N 1.53 1.19 -3.59 0.00 -0.02 -1.26 -4.97 135.00 127.88 3cf3 n PRO 298 Ca 0.06 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 3cf3 n PRO 298 Cb 0.49 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3cf3 n PRO 298 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cf3 s ALA 299 N -1.38 -1.46 -0.17 3.55 0.00 -1.22 -1.07 121.76 120.00 3cf3 s ALA 299 Ca 0.80 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3cf3 s ALA 299 Cb -0.39 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.62 3cf3 s ALA 299 CO 0.43 -0.87 -0.09 0.42 0.00 0.00 0.00 175.76 175.64 3cf3 s ILE 300 N -3.79 1.42 -0.47 0.00 1.01 -0.15 -1.10 121.20 118.13 3cf3 s ILE 300 Ca 0.05 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 3cf3 s ILE 300 Cb -0.03 -1.49 0.05 0.00 0.01 0.00 0.00 42.46 41.01 3cf3 s ILE 300 CO -0.05 0.23 0.46 -0.63 0.00 0.00 0.00 174.94 174.96 3cf3 s ILE 301 N 1.51 5.10 -0.32 2.92 1.01 -0.51 -1.29 121.20 129.61 3cf3 s ILE 301 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 3cf3 s ILE 301 Cb -0.15 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 3cf3 s ILE 301 CO -0.09 -0.59 0.18 0.12 0.00 0.00 0.00 174.94 174.56 3cf3 s PHE 302 N 2.04 3.19 -0.23 3.97 5.36 -0.71 -1.15 117.98 130.45 3cf3 s PHE 302 Ca 0.09 -0.45 -0.19 0.00 -0.96 0.00 0.00 56.93 55.42 3cf3 s PHE 302 Cb -0.21 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 3cf3 s PHE 302 CO 0.10 -0.42 0.57 0.42 -1.46 0.00 0.00 175.22 174.43 3cf3 s ILE 303 N 1.65 5.05 0.00 3.12 1.01 -0.30 -0.66 121.20 131.07 3cf3 s ILE 303 Ca 0.05 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3cf3 s ILE 303 Cb -0.17 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3cf3 s ILE 303 CO 0.08 0.10 0.00 -0.67 0.00 0.00 0.00 174.94 174.45 3cf3 n ASP 304 N 5.28 0.00 -4.57 3.58 2.03 0.18 -2.83 116.55 120.22 3cf3 n ASP 304 Ca -0.03 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.86 3cf3 n ASP 304 Cb 0.50 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.89 3cf3 n ASP 304 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3cf3 s GLU 305 N 0.00 3.92 0.09 -0.67 2.02 -1.26 -3.71 118.70 119.10 3cf3 s GLU 305 Ca 0.00 -1.87 -0.29 0.00 0.02 0.00 0.00 54.97 52.83 3cf3 s GLU 305 Cb 0.00 -5.49 -0.14 0.00 0.10 0.00 0.00 34.13 28.59 3cf3 s GLU 305 CO 0.00 -2.24 1.64 1.25 0.02 0.00 0.00 175.26 175.94 3cf3 h LEU 306 N 12.51 -0.68 -1.61 1.80 5.85 -1.70 -3.10 115.31 128.38 3cf3 h LEU 306 Ca 0.40 0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.29 3cf3 h LEU 306 Cb 0.89 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3cf3 h LEU 306 CO 1.45 -0.40 0.63 -2.24 -0.34 0.00 0.00 178.44 177.54 3cf3 h ASP 307 N -0.62 0.00 0.57 1.25 3.04 -1.85 0.99 116.42 119.80 3cf3 h ASP 307 Ca -0.03 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 3cf3 h ASP 307 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 3cf3 h ASP 307 CO 0.01 0.00 -0.06 0.00 -2.04 0.00 0.00 179.24 177.15 3cf3 n ALA 308 N -2.14 2.60 -0.01 4.15 0.00 -1.17 -3.50 120.51 120.44 3cf3 n ALA 308 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 3cf3 n ALA 308 Cb 0.79 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 3cf3 n ALA 308 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3cf3 n ILE 309 N -1.23 0.11 -3.18 0.00 5.41 0.25 -4.89 119.36 115.82 3cf3 n ILE 309 Ca 0.13 -0.05 -0.26 0.00 1.00 0.00 0.00 62.75 63.57 3cf3 n ILE 309 Cb 0.27 -0.66 -0.06 0.00 -0.71 0.00 0.00 39.64 38.48 3cf3 n ILE 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cf3 n ALA 310 N -2.44 3.93 -0.41 -1.39 0.00 -0.62 -4.36 120.51 115.22 3cf3 n ALA 310 Ca -0.03 -4.46 0.09 0.00 0.00 0.00 0.00 53.44 49.03 3cf3 n ALA 310 Cb 0.54 -0.83 0.28 0.00 0.00 0.00 0.00 19.45 19.44 3cf3 n ALA 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cf3 n PRO 311 N 0.41 3.03 0.00 0.00 -0.04 -1.23 -1.56 135.00 135.61 3cf3 n PRO 311 Ca 0.29 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.20 3cf3 n PRO 311 Cb 0.44 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3cf3 n PRO 311 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cf3 n LYS 312 N 1.05 0.00 0.00 0.54 4.81 -1.26 -4.39 118.16 118.91 3cf3 n LYS 312 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3cf3 n LYS 312 Cb 0.64 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.69 3cf3 n LYS 312 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3cf3 n ARG 313 N 0.00 3.11 0.03 1.64 0.63 -1.26 -4.61 116.66 116.20 3cf3 n ARG 313 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 3cf3 n ARG 313 Cb 0.00 0.00 0.41 0.00 0.45 0.00 0.00 32.46 33.32 3cf3 n ARG 313 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3cf3 h GLU 314 N 0.00 0.47 0.00 -0.14 3.07 -1.99 -0.45 114.58 115.54 3cf3 h GLU 314 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3cf3 h GLU 314 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 3cf3 h GLU 314 CO 0.00 0.38 0.00 1.63 -1.40 0.00 0.00 179.01 179.62 3cf3 n LYS 315 N -4.42 0.29 -2.30 2.33 5.02 -1.26 -4.54 118.16 113.27 3cf3 n LYS 315 Ca 0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 3cf3 n LYS 315 Cb 0.12 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 3cf3 n LYS 315 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3cf3 s THR 316 N -2.00 3.72 -0.10 -0.18 -1.32 -0.18 -4.92 115.64 110.66 3cf3 s THR 316 Ca 0.13 -0.83 0.01 0.00 -1.21 0.00 0.00 61.69 59.79 3cf3 s THR 316 Cb 0.06 -4.63 0.02 0.00 -1.51 0.00 0.00 72.50 66.43 3cf3 s THR 316 CO 0.10 -1.45 -0.13 -2.28 -2.21 0.00 0.00 174.62 168.66 3cf3 s HIS 317 N 7.65 1.74 0.00 9.09 5.04 -1.26 -4.96 115.29 132.59 3cf3 s HIS 317 Ca 0.59 -0.81 0.00 0.00 -1.54 0.00 0.00 55.06 53.31 3cf3 s HIS 317 Cb -0.02 -1.30 0.00 0.00 0.04 0.00 0.00 32.58 31.30 3cf3 s HIS 317 CO -0.00 -0.45 0.00 0.41 -2.34 0.00 0.00 174.74 172.36 3cf3 n GLY 318 N 4.33 3.28 0.02 1.59 0.00 -1.26 -4.70 105.19 108.45 3cf3 n GLY 318 Ca -0.18 -1.93 -0.00 0.00 0.00 0.00 0.00 46.02 43.90 3cf3 n GLY 318 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cf3 h GLU 319 N 0.00 -0.02 -0.81 1.61 4.57 -1.98 -2.68 114.58 115.26 3cf3 h GLU 319 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 3cf3 h GLU 319 Cb 0.00 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.46 3cf3 h GLU 319 CO 0.00 -0.02 -0.40 0.28 -1.18 0.00 0.00 179.01 177.70 3cf3 h VAL 320 N -0.27 0.06 -0.30 0.32 2.07 -1.98 0.34 116.25 116.50 3cf3 h VAL 320 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3cf3 h VAL 320 Cb 0.02 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.77 3cf3 h VAL 320 CO 0.00 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 176.86 3cf3 h GLU 321 N -0.09 -0.36 0.75 1.57 4.39 -1.84 -0.92 114.58 118.09 3cf3 h GLU 321 Ca 0.27 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 3cf3 h GLU 321 Cb 0.56 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3cf3 h GLU 321 CO -0.85 -0.24 -0.40 0.00 -1.16 0.00 0.00 179.01 176.36 3cf3 h ARG 322 N -0.38 -1.02 -0.94 2.33 3.08 -0.15 -3.01 114.38 114.29 3cf3 h ARG 322 Ca 0.12 0.07 0.24 0.00 0.07 0.00 0.00 59.98 60.48 3cf3 h ARG 322 Cb 0.59 0.23 -0.06 0.00 0.08 0.00 0.00 29.97 30.81 3cf3 h ARG 322 CO -0.50 -0.68 0.64 -0.09 -1.07 0.00 0.00 179.97 178.27 3cf3 h ARG 323 N -1.06 0.28 -0.26 0.04 2.43 -0.33 -1.54 114.38 113.93 3cf3 h ARG 323 Ca -0.10 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3cf3 h ARG 323 Cb 0.83 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3cf3 h ARG 323 CO 0.14 0.18 0.10 0.82 -1.51 0.00 0.00 179.97 179.71 3cf3 h ILE 324 N 0.28 1.18 -0.67 1.20 2.04 -1.03 -0.44 117.51 120.07 3cf3 h ILE 324 Ca 0.49 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3cf3 h ILE 324 Cb 1.43 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 3cf3 h ILE 324 CO -0.15 0.19 0.42 0.58 0.00 0.00 0.00 178.15 179.19 3cf3 h VAL 325 N 0.27 1.19 -0.23 1.67 2.07 -1.24 -2.50 116.25 117.47 3cf3 h VAL 325 Ca 0.09 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3cf3 h VAL 325 Cb 0.20 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3cf3 h VAL 325 CO -0.01 0.19 0.12 0.28 0.02 0.00 0.00 177.57 178.17 3cf3 h SER 326 N 0.91 0.29 -0.98 0.57 0.02 -1.31 -2.37 113.55 110.68 3cf3 h SER 326 Ca 0.24 -0.10 0.29 0.00 -0.84 0.00 0.00 61.79 61.38 3cf3 h SER 326 Cb -0.06 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 62.26 3cf3 h SER 326 CO -0.05 0.31 0.53 -0.61 -1.14 0.00 0.00 176.83 175.87 3cf3 h GLN 327 N 0.26 0.37 0.24 3.45 5.75 -0.63 -1.65 115.11 122.90 3cf3 h GLN 327 Ca 0.08 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 3cf3 h GLN 327 Cb 0.08 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3cf3 h GLN 327 CO -0.01 0.25 -0.12 1.25 -2.65 0.00 0.00 178.83 177.55 3cf3 h LEU 328 N 0.38 -0.28 -1.50 -2.39 5.85 -1.21 -2.97 115.31 113.20 3cf3 h LEU 328 Ca 0.68 -0.25 0.33 0.00 0.84 0.00 0.00 57.88 59.48 3cf3 h LEU 328 Cb 1.46 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.46 3cf3 h LEU 328 CO -0.57 0.21 0.76 -0.07 -0.34 0.00 0.00 178.44 178.43 3cf3 h LEU 329 N -0.88 0.31 -0.36 2.25 3.38 -0.85 2.28 115.31 121.44 3cf3 h LEU 329 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cf3 h LEU 329 Cb 0.51 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3cf3 h LEU 329 CO 0.05 0.00 0.00 0.74 0.09 0.00 0.00 178.44 179.32 3cf3 h THR 330 N 0.24 0.00 0.00 0.22 2.02 -1.37 -2.36 112.91 111.65 3cf3 h THR 330 Ca 0.65 -0.71 -0.35 0.00 0.77 0.00 0.00 66.41 66.78 3cf3 h THR 330 Cb 1.96 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 69.98 3cf3 h THR 330 CO -0.27 0.00 -2.23 0.18 0.37 0.00 0.00 175.52 173.56 3cf3 n LEU 331 N -2.82 0.42 -0.11 2.58 4.77 0.66 -1.21 117.00 121.29 3cf3 n LEU 331 Ca 0.04 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 3cf3 n LEU 331 Cb 0.43 0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 3cf3 n LEU 331 CO 0.30 0.51 0.87 0.24 -1.33 0.00 0.00 177.39 177.98 3cf3 h MET 332 N 0.00 0.50 0.06 3.23 2.86 0.19 -1.98 114.93 119.79 3cf3 h MET 332 Ca -0.49 -0.11 -0.25 0.00 -2.06 0.00 0.00 59.70 56.80 3cf3 h MET 332 Cb 2.17 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 33.76 3cf3 h MET 332 CO 0.04 0.54 -1.08 -0.44 1.06 0.00 0.00 176.91 177.03 3cf3 h ASP 333 N 0.37 0.51 0.00 1.22 3.32 -1.60 -3.24 116.42 117.00 3cf3 h ASP 333 Ca 0.10 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3cf3 h ASP 333 Cb 0.24 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3cf3 h ASP 333 CO -0.00 1.29 0.80 1.23 -1.72 0.00 0.00 179.24 180.84 3cf3 h GLY 334 N 1.31 0.00 -7.45 2.75 0.00 -0.41 -3.38 103.07 95.89 3cf3 h GLY 334 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 3cf3 h GLY 334 CO 0.18 0.00 0.67 1.04 0.00 0.00 0.00 176.54 178.43 3cf3 n LEU 335 N -2.44 2.00 0.00 3.11 4.77 -1.00 -4.69 117.00 118.76 3cf3 n LEU 335 Ca -0.00 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 3cf3 n LEU 335 Cb 0.81 -1.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3cf3 n LEU 335 CO 0.03 -2.22 0.23 0.29 -1.33 0.00 0.00 177.39 174.39 3cf3 n LYS 336 N 8.88 0.00 0.00 3.23 5.02 -1.26 -4.58 118.16 129.45 3cf3 n LYS 336 Ca 0.43 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3cf3 n LYS 336 Cb 0.48 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3cf3 n LYS 336 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3cf3 n GLN 337 N -0.79 0.00 0.06 1.97 -0.06 -1.26 -4.26 117.38 113.04 3cf3 n GLN 337 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 3cf3 n GLN 337 Cb 0.17 -0.71 -0.07 0.00 -4.06 0.00 0.00 30.24 25.57 3cf3 n GLN 337 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3cf3 h ARG 338 N 0.00 -0.08 -6.34 3.69 3.08 -1.97 -3.41 114.38 109.35 3cf3 h ARG 338 Ca 0.00 0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.51 3cf3 h ARG 338 Cb 0.00 0.02 0.22 0.00 0.08 0.00 0.00 29.97 30.29 3cf3 h ARG 338 CO 0.00 -0.05 -1.24 0.00 -1.07 0.00 0.00 179.97 177.61 3cf3 n ALA 339 N -2.15 -4.01 -3.34 0.04 0.00 -1.26 -4.93 120.51 104.86 3cf3 n ALA 339 Ca -0.07 -0.59 -0.26 0.00 0.00 0.00 0.00 53.44 52.52 3cf3 n ALA 339 Cb 0.07 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.99 3cf3 n ALA 339 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3cf3 n HIS 340 N -2.85 1.75 -4.32 0.00 -0.00 -1.26 -4.90 115.22 103.64 3cf3 n HIS 340 Ca 0.03 -3.88 -0.17 0.00 0.46 0.00 0.00 57.72 54.15 3cf3 n HIS 340 Cb 0.54 -0.44 -0.09 0.00 -0.12 0.00 0.00 29.99 29.87 3cf3 n HIS 340 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 3cf3 s VAL 341 N -1.80 0.34 -0.04 3.57 -7.23 -1.26 -3.40 120.40 110.58 3cf3 s VAL 341 Ca 0.37 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3cf3 s VAL 341 Cb 0.15 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.57 3cf3 s VAL 341 CO -0.07 0.00 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.09 3cf3 s ILE 342 N -3.70 0.26 -0.53 -0.62 1.01 -0.26 -4.92 121.20 112.45 3cf3 s ILE 342 Ca 0.37 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.93 3cf3 s ILE 342 Cb 0.06 -0.38 0.08 0.00 0.01 0.00 0.00 42.46 42.23 3cf3 s ILE 342 CO 0.16 0.19 0.60 -0.69 0.00 0.00 0.00 174.94 175.20 3cf3 s VAL 343 N 1.38 4.95 -0.01 2.92 1.01 -0.87 -1.43 120.40 128.35 3cf3 s VAL 343 Ca -0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3cf3 s VAL 343 Cb -0.13 -4.33 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 3cf3 s VAL 343 CO -0.02 -0.86 0.35 -0.04 0.00 0.00 0.00 175.10 174.52 3cf3 s MET 344 N 2.40 3.79 0.18 2.72 -1.94 -0.30 -2.05 119.30 124.10 3cf3 s MET 344 Ca 0.11 0.26 0.01 0.00 -1.71 0.00 0.00 55.69 54.36 3cf3 s MET 344 Cb -0.22 -3.18 -0.05 0.00 2.01 0.00 0.00 34.83 33.39 3cf3 s MET 344 CO 0.09 0.69 0.05 0.00 -0.01 0.00 0.00 175.02 175.83 3cf3 s ALA 345 N -1.12 1.29 0.02 3.03 0.00 -0.31 -1.15 121.76 123.53 3cf3 s ALA 345 Ca 0.23 -1.63 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 3cf3 s ALA 345 Cb -0.15 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3cf3 s ALA 345 CO 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 175.76 175.49 3cf3 s ALA 346 N -3.82 -0.01 0.25 0.00 0.00 -1.13 0.44 121.76 117.48 3cf3 s ALA 346 Ca 0.28 -0.46 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 3cf3 s ALA 346 Cb 0.07 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.35 3cf3 s ALA 346 CO 0.06 -0.18 0.63 -0.08 0.00 0.00 0.00 175.76 176.19 3cf3 s THR 347 N -1.49 0.00 -0.58 0.00 -1.32 -0.81 -2.61 115.64 108.83 3cf3 s THR 347 Ca -0.15 -0.94 0.24 0.00 -1.21 0.00 0.00 61.69 59.64 3cf3 s THR 347 Cb -0.09 -1.86 0.24 0.00 -1.51 0.00 0.00 72.50 69.28 3cf3 s THR 347 CO -0.00 -0.02 1.58 0.78 -2.21 0.00 0.00 174.62 174.74 3cf3 h ASN 348 N 2.08 0.00 0.00 8.08 -0.26 -1.88 -3.24 115.58 120.36 3cf3 h ASN 348 Ca -0.23 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 3cf3 h ASN 348 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 3cf3 h ASN 348 CO 0.29 0.02 0.00 -2.11 -1.06 0.00 0.00 177.43 174.57 3cf3 n ARG 349 N -2.54 0.00 -0.18 0.81 1.85 -1.26 -4.51 116.66 110.83 3cf3 n ARG 349 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.87 3cf3 n ARG 349 Cb 0.48 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.93 3cf3 n ARG 349 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3cf3 h PRO 350 N 0.00 -0.03 0.00 2.89 0.11 -1.99 -1.62 132.00 131.36 3cf3 h PRO 350 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3cf3 h PRO 350 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3cf3 h PRO 350 CO 0.00 -0.02 0.00 0.09 -0.21 0.00 0.00 178.00 177.86 3cf3 n ASN 351 N -5.40 0.58 0.01 -2.05 4.13 -1.26 -2.86 115.26 108.41 3cf3 n ASN 351 Ca 0.05 0.72 -0.12 0.00 1.68 0.00 0.00 54.58 56.91 3cf3 n ASN 351 Cb 0.30 -0.81 -0.10 0.00 -1.54 0.00 0.00 39.78 37.63 3cf3 n ASN 351 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3cf3 h SER 352 N 0.00 -0.07 -1.31 6.41 0.02 -1.68 -3.47 113.55 113.44 3cf3 h SER 352 Ca 0.00 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 3cf3 h SER 352 Cb 0.13 0.02 0.03 0.00 0.14 0.00 0.00 62.40 62.72 3cf3 h SER 352 CO 0.00 0.50 -0.02 -0.38 -1.14 0.00 0.00 176.83 175.80 3cf3 n ILE 353 N -4.85 0.00 -4.79 3.27 2.08 -1.13 -4.41 119.36 109.53 3cf3 n ILE 353 Ca -0.08 -0.01 -0.33 0.00 0.56 0.00 0.00 62.75 62.89 3cf3 n ILE 353 Cb 0.29 -0.23 -0.15 0.00 -0.75 0.00 0.00 39.64 38.79 3cf3 n ILE 353 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3cf3 s ASP 354 N -2.12 3.82 0.43 4.38 2.15 -0.60 -4.48 116.67 120.25 3cf3 s ASP 354 Ca 0.09 -0.39 0.22 0.00 0.43 0.00 0.00 52.55 52.91 3cf3 s ASP 354 Cb -0.02 -1.58 1.20 0.00 -0.30 0.00 0.00 42.92 42.23 3cf3 s ASP 354 CO 0.08 0.15 1.79 -0.65 -0.17 0.00 0.00 175.17 176.36 3cf3 h PRO 355 N 6.82 0.30 -0.41 4.34 0.11 -1.92 -1.83 132.00 139.42 3cf3 h PRO 355 Ca -0.26 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.95 3cf3 h PRO 355 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3cf3 h PRO 355 CO 0.55 0.20 0.32 0.00 -0.21 0.00 0.00 178.00 178.85 3cf3 h ALA 356 N 1.58 2.30 0.00 -0.75 0.00 -1.96 -0.15 119.26 120.29 3cf3 h ALA 356 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3cf3 h ALA 356 Cb 1.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3cf3 h ALA 356 CO -0.23 -0.53 0.00 1.28 0.00 0.00 0.00 179.25 179.77 3cf3 n LEU 357 N -4.23 0.33 0.12 0.00 4.77 -0.69 -2.88 117.00 114.42 3cf3 n LEU 357 Ca 0.07 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 3cf3 n LEU 357 Cb 0.51 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3cf3 n LEU 357 CO 0.34 -0.28 0.24 0.03 -1.33 0.00 0.00 177.39 176.39 3cf3 h ARG 358 N 0.00 0.00 -4.82 3.23 2.47 -1.20 -1.89 114.38 112.17 3cf3 h ARG 358 Ca 0.00 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.04 3cf3 h ARG 358 Cb 0.42 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.76 3cf3 h ARG 358 CO 0.00 0.20 0.35 0.54 0.56 0.00 0.00 179.97 181.62 3cf3 n ARG 359 N -2.97 0.00 -1.53 0.04 1.74 -1.14 -4.32 116.66 108.48 3cf3 n ARG 359 Ca -0.01 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.81 3cf3 n ARG 359 Cb 0.67 -1.20 -0.12 0.00 -1.02 0.00 0.00 32.46 30.78 3cf3 n ARG 359 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cf3 n PHE 360 N 2.41 0.82 0.00 -1.55 3.01 -1.26 -1.41 117.46 119.47 3cf3 n PHE 360 Ca 0.21 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.76 3cf3 n PHE 360 Cb -0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 39.48 37.43 3cf3 n PHE 360 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cf3 n GLY 361 N 6.23 0.23 0.00 1.37 0.00 -1.26 -5.05 105.19 106.72 3cf3 n GLY 361 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3cf3 n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf3 n ARG 362 N 0.00 0.00 -3.06 1.61 1.74 -0.50 -4.77 116.66 111.67 3cf3 n ARG 362 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3cf3 n ARG 362 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 3cf3 n ARG 362 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cf3 n PHE 363 N 0.00 2.83 0.06 -1.55 3.72 -0.71 -1.34 117.46 120.47 3cf3 n PHE 363 Ca 0.00 -2.83 -0.06 0.00 -0.05 0.00 0.00 57.45 54.51 3cf3 n PHE 363 Cb 0.00 -1.35 -0.10 0.00 -0.94 0.00 0.00 39.48 37.09 3cf3 n PHE 363 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 3cf3 h ASP 364 N 5.67 0.00 -2.95 4.37 3.04 -1.75 -3.40 116.42 121.39 3cf3 h ASP 364 Ca 0.20 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 53.34 3cf3 h ASP 364 Cb 0.66 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.85 3cf3 h ASP 364 CO 1.28 0.91 -0.50 -0.13 -2.04 0.00 0.00 179.24 178.76 3cf3 s ARG 365 N -2.74 3.70 -0.01 4.15 1.81 -1.17 -5.05 118.95 119.64 3cf3 s ARG 365 Ca 0.01 -0.20 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 3cf3 s ARG 365 Cb 0.09 -3.24 -0.01 0.00 -0.45 0.00 0.00 34.95 31.35 3cf3 s ARG 365 CO 0.81 0.57 -0.13 -1.21 -0.68 0.00 0.00 175.30 174.66 3cf3 s GLU 366 N -0.44 1.04 -0.05 3.54 2.02 -1.26 -1.52 118.70 122.03 3cf3 s GLU 366 Ca 0.11 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.65 3cf3 s GLU 366 Cb -0.12 -1.01 0.02 0.00 0.10 0.00 0.00 34.13 33.12 3cf3 s GLU 366 CO 0.02 0.28 -0.07 0.08 0.02 0.00 0.00 175.26 175.58 3cf3 s VAL 367 N -0.32 0.74 -0.13 2.63 1.01 -0.62 -4.97 120.40 118.74 3cf3 s VAL 367 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3cf3 s VAL 367 Cb -0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 3cf3 s VAL 367 CO -0.00 0.27 0.13 -0.62 0.00 0.00 0.00 175.10 174.87 3cf3 s ASP 368 N 0.89 6.26 -0.51 3.32 2.15 -1.26 -0.52 116.67 127.00 3cf3 s ASP 368 Ca -0.11 0.41 0.07 0.00 0.43 0.00 0.00 52.55 53.35 3cf3 s ASP 368 Cb -0.15 -2.02 0.25 0.00 -0.30 0.00 0.00 42.92 40.71 3cf3 s ASP 368 CO 0.01 0.38 0.64 -0.38 -0.17 0.00 0.00 175.17 175.65 3cf3 n ILE 369 N 2.16 0.86 -0.22 4.11 5.41 -1.22 -4.91 119.36 125.55 3cf3 n ILE 369 Ca -0.19 -4.63 -0.21 0.00 1.00 0.00 0.00 62.75 58.72 3cf3 n ILE 369 Cb 0.55 -1.99 0.20 0.00 -0.71 0.00 0.00 39.64 37.69 3cf3 n ILE 369 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cf3 n GLY 370 N 1.09 -3.40 3.54 7.39 0.00 -1.26 -4.55 105.19 107.99 3cf3 n GLY 370 Ca 0.26 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3cf3 n GLY 370 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cf3 s ILE 371 N -1.81 2.05 0.43 -0.61 -4.36 -1.26 -4.98 121.20 110.67 3cf3 s ILE 371 Ca 0.45 0.02 -0.19 0.00 -0.26 0.00 0.00 60.65 60.67 3cf3 s ILE 371 Cb -0.08 -2.08 -0.10 0.00 1.25 0.00 0.00 42.46 41.45 3cf3 s ILE 371 CO 0.38 -0.02 0.91 -2.84 0.24 0.00 0.00 174.94 173.61 3cf3 s PRO 372 N -4.52 4.12 0.00 0.37 0.02 -1.26 -5.04 135.00 128.69 3cf3 s PRO 372 Ca 0.68 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3cf3 s PRO 372 Cb -0.24 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3cf3 s PRO 372 CO 0.63 -0.04 0.00 -0.40 -0.33 0.00 0.00 177.00 176.85 3cf3 n ASP 373 N -0.79 0.13 0.00 2.53 5.75 -1.26 -4.78 116.55 118.12 3cf3 n ASP 373 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 3cf3 n ASP 373 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3cf3 n ASP 373 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cf3 n ALA 374 N -3.00 -0.10 -0.25 2.12 0.00 -1.26 -1.89 120.51 116.12 3cf3 n ALA 374 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 3cf3 n ALA 374 Cb 0.00 0.17 0.71 0.00 0.00 0.00 0.00 19.45 20.33 3cf3 n ALA 374 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3cf3 h THR 375 N 0.00 0.49 0.03 0.00 2.02 -1.97 -2.77 112.91 110.71 3cf3 h THR 375 Ca 0.00 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3cf3 h THR 375 Cb 0.00 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3cf3 h THR 375 CO 0.00 0.01 -0.01 1.23 0.37 0.00 0.00 175.52 177.12 3cf3 h GLY 376 N 0.05 -0.04 -0.66 2.16 0.00 -1.79 -1.18 103.07 101.62 3cf3 h GLY 376 Ca 0.50 0.01 0.35 0.00 0.00 0.00 0.00 47.33 48.19 3cf3 h GLY 376 CO -0.03 -0.01 0.56 3.21 0.00 0.00 0.00 176.54 180.26 3cf3 h ARG 377 N -0.04 0.23 -0.29 4.80 3.08 -1.10 0.61 114.38 121.67 3cf3 h ARG 377 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3cf3 h ARG 377 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3cf3 h ARG 377 CO 0.01 0.15 0.08 1.25 -1.07 0.00 0.00 179.97 180.39 3cf3 h LEU 378 N 0.23 0.44 -1.03 3.04 7.12 -1.46 -1.60 115.31 122.05 3cf3 h LEU 378 Ca 0.77 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.56 3cf3 h LEU 378 Cb 1.83 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 41.80 3cf3 h LEU 378 CO -0.65 0.54 0.60 -0.08 -0.13 0.00 0.00 178.44 178.72 3cf3 h GLU 379 N 0.31 1.26 0.61 1.25 4.81 0.14 -2.82 114.58 120.15 3cf3 h GLU 379 Ca 0.09 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3cf3 h GLU 379 Cb 0.27 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 29.38 3cf3 h GLU 379 CO -0.00 0.85 -0.29 0.82 -0.73 0.00 0.00 179.01 179.66 3cf3 h ILE 380 N 1.29 0.35 -1.03 2.32 2.04 -0.71 -3.13 117.51 118.64 3cf3 h ILE 380 Ca 0.34 -0.18 0.25 0.00 1.00 0.00 0.00 64.86 66.27 3cf3 h ILE 380 Cb -0.11 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 36.27 3cf3 h ILE 380 CO -0.07 0.02 0.64 -0.07 0.00 0.00 0.00 178.15 178.68 3cf3 h LEU 381 N -0.95 0.54 -1.97 1.44 3.38 -1.15 0.78 115.31 117.38 3cf3 h LEU 381 Ca -0.08 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3cf3 h LEU 381 Cb 0.67 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3cf3 h LEU 381 CO 0.14 0.11 -0.08 1.56 0.09 0.00 0.00 178.44 180.25 3cf3 h GLN 382 N 0.47 0.00 0.13 1.13 4.20 -1.45 -2.48 115.11 117.11 3cf3 h GLN 382 Ca 0.61 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 59.03 3cf3 h GLN 382 Cb 1.38 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.16 3cf3 h GLN 382 CO -0.35 0.08 -1.40 0.82 -0.67 0.00 0.00 178.83 177.31 3cf3 h ILE 383 N 0.00 1.31 -0.48 2.54 2.04 0.59 -2.98 117.51 120.53 3cf3 h ILE 383 Ca -0.00 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 62.94 3cf3 h ILE 383 Cb 0.34 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3cf3 h ILE 383 CO 0.01 0.85 0.00 1.41 0.00 0.00 0.00 178.15 180.42 3cf3 n HIS 384 N -3.49 1.46 -0.53 1.37 8.25 -0.96 -3.77 115.22 117.54 3cf3 n HIS 384 Ca -0.13 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.80 3cf3 n HIS 384 Cb 1.04 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.81 3cf3 n HIS 384 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3cf3 n THR 385 N 0.65 0.00 0.67 1.59 -2.24 -1.00 -4.78 114.28 109.18 3cf3 n THR 385 Ca 0.21 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3cf3 n THR 385 Cb 0.89 1.53 0.00 0.00 -2.10 0.00 0.00 70.33 70.65 3cf3 n THR 385 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3cf3 n LYS 386 N -0.07 0.35 0.00 -0.78 2.85 -1.13 -2.18 118.16 117.20 3cf3 n LYS 386 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3cf3 n LYS 386 Cb 0.13 -1.01 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3cf3 n LYS 386 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3cf3 n ASN 387 N -0.46 2.45 -4.82 -5.58 3.02 -1.26 -4.85 115.26 103.76 3cf3 n ASN 387 Ca 0.00 -0.07 -0.28 0.00 -0.03 0.00 0.00 54.58 54.21 3cf3 n ASN 387 Cb 0.00 0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 39.74 3cf3 n ASN 387 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cf3 s MET 388 N -1.11 3.02 -0.87 3.52 0.23 -0.93 -2.26 119.30 120.90 3cf3 s MET 388 Ca 0.00 -0.76 -0.24 0.00 -1.03 0.00 0.00 55.69 53.66 3cf3 s MET 388 Cb 0.00 -2.74 0.05 0.00 -1.53 0.00 0.00 34.83 30.61 3cf3 s MET 388 CO 0.00 0.52 1.32 0.21 -2.03 0.00 0.00 175.02 175.04 3cf3 s LYS 389 N -2.91 3.38 0.43 3.16 2.20 -1.26 -4.97 119.74 119.77 3cf3 s LYS 389 Ca 0.31 -0.76 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 3cf3 s LYS 389 Cb -0.11 -4.74 -0.08 0.00 -1.51 0.00 0.00 37.83 31.38 3cf3 s LYS 389 CO 0.24 -2.13 1.08 -0.51 -0.36 0.00 0.00 175.35 173.67 3cf3 s LEU 390 N 5.11 4.06 0.62 5.43 1.43 -1.26 -2.04 118.68 132.03 3cf3 s LEU 390 Ca 0.39 2.11 -0.10 0.00 -1.03 0.00 0.00 54.13 55.50 3cf3 s LEU 390 Cb -0.05 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 3cf3 s LEU 390 CO 0.02 -0.66 1.00 0.00 0.23 0.00 0.00 176.35 176.94 3cf3 s ALA 391 N -1.66 3.10 0.22 4.21 0.00 0.17 -4.84 121.76 122.96 3cf3 s ALA 391 Ca 0.61 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.22 3cf3 s ALA 391 Cb -0.23 -2.96 0.18 0.00 0.00 0.00 0.00 23.12 20.11 3cf3 s ALA 391 CO 0.29 -0.77 1.88 -0.44 0.00 0.00 0.00 175.76 176.73 3cf3 h ASP 392 N -0.32 0.90 0.40 0.00 3.32 -1.96 -1.95 116.42 116.80 3cf3 h ASP 392 Ca -0.45 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3cf3 h ASP 392 Cb 1.21 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3cf3 h ASP 392 CO 0.62 0.64 0.00 -0.90 -1.72 0.00 0.00 179.24 177.89 3cf3 n ASP 393 N -4.54 0.02 -4.67 6.45 5.75 -1.26 -4.71 116.55 113.58 3cf3 n ASP 393 Ca 0.08 0.50 -0.42 0.00 -0.01 0.00 0.00 54.79 54.94 3cf3 n ASP 393 Cb 0.03 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.58 3cf3 n ASP 393 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3cf3 s VAL 394 N -3.01 3.78 -0.78 2.12 1.01 -0.73 -4.52 120.40 118.27 3cf3 s VAL 394 Ca 0.05 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 3cf3 s VAL 394 Cb 0.07 -3.65 0.19 0.00 0.00 0.00 0.00 36.38 33.00 3cf3 s VAL 394 CO 0.21 -0.07 0.63 -0.62 0.00 0.00 0.00 175.10 175.25 3cf3 s ASP 395 N 2.66 5.52 0.25 3.32 -1.08 -1.26 -4.95 116.67 121.12 3cf3 s ASP 395 Ca 0.66 -3.54 -0.08 0.00 -0.52 0.00 0.00 52.55 49.07 3cf3 s ASP 395 Cb -0.30 -1.83 0.41 0.00 -1.46 0.00 0.00 42.92 39.74 3cf3 s ASP 395 CO 0.25 -0.20 1.61 -0.07 0.52 0.00 0.00 175.17 177.28 3cf3 h LEU 396 N 6.12 -0.55 0.08 -1.34 3.38 -1.98 0.10 115.31 121.13 3cf3 h LEU 396 Ca 0.11 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.32 3cf3 h LEU 396 Cb 0.83 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3cf3 h LEU 396 CO 0.79 -0.23 -0.29 -0.08 0.09 0.00 0.00 178.44 178.72 3cf3 h GLU 397 N 0.04 -0.46 -0.65 1.13 4.81 -1.93 -2.38 114.58 115.14 3cf3 h GLU 397 Ca 0.41 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.77 3cf3 h GLU 397 Cb 0.69 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.07 3cf3 h GLU 397 CO -0.75 -0.31 -0.26 0.94 -0.73 0.00 0.00 179.01 177.90 3cf3 n GLN 398 N -5.40 -0.16 0.17 1.92 -0.06 0.01 0.06 117.38 113.93 3cf3 n GLN 398 Ca -0.06 1.00 -0.14 0.00 -2.00 0.00 0.00 57.00 55.80 3cf3 n GLN 398 Cb 0.31 -1.48 -0.07 0.00 -4.06 0.00 0.00 30.24 24.94 3cf3 n GLN 398 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3cf3 h VAL 399 N 0.00 0.49 -0.94 1.69 2.07 -1.31 -2.21 116.25 116.04 3cf3 h VAL 399 Ca 0.22 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.98 3cf3 h VAL 399 Cb 0.38 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3cf3 h VAL 399 CO -0.64 0.00 0.64 0.00 0.02 0.00 0.00 177.57 177.59 3cf3 h ALA 400 N 0.15 2.50 0.00 1.67 0.00 -0.14 0.14 119.26 123.58 3cf3 h ALA 400 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cf3 h ALA 400 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3cf3 h ALA 400 CO -0.04 -0.80 0.00 0.09 0.00 0.00 0.00 179.25 178.50 3cf3 n ASN 401 N -4.42 0.58 -0.14 0.00 3.02 -0.53 -3.56 115.26 110.21 3cf3 n ASN 401 Ca 0.20 0.58 0.04 0.00 -0.03 0.00 0.00 54.58 55.37 3cf3 n ASN 401 Cb 0.86 -0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 3cf3 n ASN 401 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3cf3 n GLU 402 N -2.07 2.84 -2.22 3.52 0.28 0.44 -4.71 120.64 118.72 3cf3 n GLU 402 Ca 0.05 -0.37 -0.39 0.00 -0.16 0.00 0.00 57.16 56.28 3cf3 n GLU 402 Cb 0.35 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 32.22 3cf3 n GLU 402 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3cf3 n THR 403 N -0.60 5.37 -0.39 3.84 -2.24 -0.93 -4.84 114.28 114.49 3cf3 n THR 403 Ca 0.03 -4.93 -0.10 0.00 -2.27 0.00 0.00 64.05 56.79 3cf3 n THR 403 Cb 0.17 -1.76 -0.08 0.00 -2.10 0.00 0.00 70.33 66.56 3cf3 n THR 403 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3cf3 h HIS 404 N 4.21 -1.74 -2.86 4.78 3.86 -1.84 -3.00 115.15 118.56 3cf3 h HIS 404 Ca 0.60 0.12 -0.72 0.00 -1.16 0.00 0.00 60.37 59.21 3cf3 h HIS 404 Cb 0.32 0.89 -0.34 0.00 1.06 0.00 0.00 27.41 29.34 3cf3 h HIS 404 CO 1.46 -0.39 0.15 0.41 0.86 0.00 0.00 177.93 180.43 3cf3 n GLY 405 N -1.30 4.75 3.04 2.45 0.00 -1.26 -5.00 105.19 107.87 3cf3 n GLY 405 Ca 0.03 -2.68 -0.26 0.00 0.00 0.00 0.00 46.02 43.11 3cf3 n GLY 405 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cf3 s HIS 406 N -2.26 1.66 0.50 1.61 4.02 -1.14 -3.81 115.29 115.88 3cf3 s HIS 406 Ca 0.33 -0.67 -0.06 0.00 1.02 0.00 0.00 55.06 55.68 3cf3 s HIS 406 Cb 0.04 -1.21 0.11 0.00 -1.02 0.00 0.00 32.58 30.50 3cf3 s HIS 406 CO 0.00 -0.34 0.68 1.33 1.02 0.00 0.00 174.74 177.44 3cf3 n VAL 407 N 3.90 0.00 0.43 -0.90 0.24 -1.26 -4.22 118.33 116.52 3cf3 n VAL 407 Ca -0.21 -0.68 -0.18 0.00 -2.04 0.00 0.00 64.34 61.23 3cf3 n VAL 407 Cb 0.52 -1.49 -0.09 0.00 -1.47 0.00 0.00 33.84 31.31 3cf3 n VAL 407 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3cf3 h GLY 408 N -0.75 -1.13 0.54 7.63 0.00 -1.76 -3.07 103.07 104.52 3cf3 h GLY 408 Ca -0.22 0.42 0.10 0.00 0.00 0.00 0.00 47.33 47.63 3cf3 h GLY 408 CO 0.18 -0.41 0.61 0.00 0.00 0.00 0.00 176.54 176.92 3cf3 h ALA 409 N -1.09 1.43 -0.37 3.60 0.00 -1.87 -1.03 119.26 119.93 3cf3 h ALA 409 Ca -0.11 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3cf3 h ALA 409 Cb 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3cf3 h ALA 409 CO 0.18 0.25 0.25 -0.44 0.00 0.00 0.00 179.25 179.50 3cf3 h ASP 410 N 1.00 0.21 0.39 0.00 3.32 -1.89 -0.88 116.42 118.57 3cf3 h ASP 410 Ca 0.47 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.26 3cf3 h ASP 410 Cb 0.40 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.91 3cf3 h ASP 410 CO -0.24 0.14 -1.12 -0.07 -1.72 0.00 0.00 179.24 176.23 3cf3 h LEU 411 N 0.24 0.57 0.29 1.55 3.38 -1.11 -2.93 115.31 117.30 3cf3 h LEU 411 Ca 0.16 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3cf3 h LEU 411 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3cf3 h LEU 411 CO -0.03 1.36 -0.14 0.00 0.09 0.00 0.00 178.44 179.72 3cf3 h ALA 412 N 0.58 -0.38 -0.32 1.53 0.00 -0.76 -2.38 119.26 117.54 3cf3 h ALA 412 Ca -0.12 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3cf3 h ALA 412 Cb 1.79 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3cf3 h ALA 412 CO 0.20 -0.58 0.23 0.00 0.00 0.00 0.00 179.25 179.09 3cf3 h ALA 413 N -0.03 2.30 -0.14 0.00 0.00 -1.37 -0.70 119.26 119.31 3cf3 h ALA 413 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3cf3 h ALA 413 Cb 0.46 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3cf3 h ALA 413 CO 0.06 -0.40 0.02 1.25 0.00 0.00 0.00 179.25 180.18 3cf3 h LEU 414 N 0.00 -0.01 -1.28 0.00 5.85 -1.24 0.13 115.31 118.76 3cf3 h LEU 414 Ca 0.15 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3cf3 h LEU 414 Cb 0.62 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3cf3 h LEU 414 CO -0.00 0.02 -0.36 0.00 -0.34 0.00 0.00 178.44 177.76 3cf3 h SER 416 N 0.00 0.11 0.63 0.00 0.02 -0.66 0.98 113.55 114.62 3cf3 h SER 416 Ca -0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3cf3 h SER 416 Cb 0.65 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3cf3 h SER 416 CO 0.05 0.56 0.00 -0.62 -1.14 0.00 0.00 176.83 175.68 3cf3 n GLU 417 N -4.77 0.09 -0.03 3.45 -0.58 0.40 -0.63 120.64 118.57 3cf3 n GLU 417 Ca -0.08 0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 3cf3 n GLU 417 Cb 0.28 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.52 3cf3 n GLU 417 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3cf3 n ALA 418 N -1.44 1.69 0.01 0.62 0.00 0.01 -3.55 120.51 117.84 3cf3 n ALA 418 Ca 0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 53.44 52.48 3cf3 n ALA 418 Cb 0.22 -0.69 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 3cf3 n ALA 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf3 h ALA 419 N 1.17 0.50 0.00 0.00 0.00 -0.49 -3.21 119.26 117.23 3cf3 h ALA 419 Ca -0.31 -1.39 -0.01 0.00 0.00 0.00 0.00 54.91 53.20 3cf3 h ALA 419 Cb 1.91 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 20.31 3cf3 h ALA 419 CO 0.05 1.37 -0.05 -0.07 0.00 0.00 0.00 179.25 180.55 3cf3 h LEU 420 N 0.05 0.00 -0.01 0.00 3.38 -1.05 -1.35 115.31 116.33 3cf3 h LEU 420 Ca -0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3cf3 h LEU 420 Cb 2.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 3cf3 h LEU 420 CO 0.10 0.05 -0.29 -0.61 0.09 0.00 0.00 178.44 177.77 3cf3 h GLN 421 N 0.00 0.21 0.00 1.13 5.75 -1.66 -1.85 115.11 118.70 3cf3 h GLN 421 Ca -0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3cf3 h GLN 421 Cb 0.13 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.74 3cf3 h GLN 421 CO 0.01 0.93 0.00 0.00 -2.65 0.00 0.00 178.83 177.11 3cf3 n ALA 422 N -2.53 2.05 -0.10 3.38 0.00 -0.60 -2.72 120.51 119.99 3cf3 n ALA 422 Ca -0.10 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 3cf3 n ALA 422 Cb 0.51 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 3cf3 n ALA 422 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3cf3 n ILE 423 N -0.90 1.11 0.33 0.00 5.41 -0.66 -3.70 119.36 120.95 3cf3 n ILE 423 Ca 0.09 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.50 3cf3 n ILE 423 Cb 0.04 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 3cf3 n ILE 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3cf3 n ARG 424 N -3.57 0.26 0.07 0.38 1.74 -0.71 -2.38 116.66 112.46 3cf3 n ARG 424 Ca -0.38 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 3cf3 n ARG 424 Cb 0.82 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.16 3cf3 n ARG 424 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cf3 n LYS 425 N 0.15 0.00 0.00 5.56 5.02 -1.25 -4.54 118.16 123.10 3cf3 n LYS 425 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf3 n LYS 425 Cb 0.05 -0.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 3cf3 n LYS 425 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf3 n LYS 426 N -3.19 0.00 0.08 1.97 4.76 -1.15 -3.20 118.16 117.43 3cf3 n LYS 426 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 3cf3 n LYS 426 Cb 0.08 -0.16 0.44 0.00 -1.84 0.00 0.00 35.03 33.54 3cf3 n LYS 426 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 3cf3 n MET 427 N 0.00 0.13 -0.05 1.97 1.56 -1.25 -2.24 117.12 117.24 3cf3 n MET 427 Ca 0.00 0.34 -0.14 0.00 -0.27 0.00 0.00 57.70 57.63 3cf3 n MET 427 Cb 0.00 -1.74 -0.12 0.00 2.15 0.00 0.00 33.22 33.51 3cf3 n MET 427 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 3cf3 h ASP 428 N 0.00 0.03 -0.13 6.12 3.58 -1.66 0.75 116.42 125.10 3cf3 h ASP 428 Ca 0.00 -0.86 -0.07 0.00 0.42 0.00 0.00 57.03 56.52 3cf3 h ASP 428 Cb 0.36 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 3cf3 h ASP 428 CO 0.00 0.89 -0.12 -0.07 -2.88 0.00 0.00 179.24 177.06 3cf3 h LEU 429 N -0.83 0.46 -1.01 2.28 3.38 -1.54 0.94 115.31 119.00 3cf3 h LEU 429 Ca -0.01 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3cf3 h LEU 429 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3cf3 h LEU 429 CO 0.01 0.61 -0.47 0.40 0.09 0.00 0.00 178.44 179.07 3cf3 h ILE 430 N 0.44 1.26 -5.34 1.22 1.08 -1.46 -3.49 117.51 111.22 3cf3 h ILE 430 Ca 0.08 -1.66 0.01 0.00 -0.39 0.00 0.00 64.86 62.90 3cf3 h ILE 430 Cb 0.47 1.92 -0.09 0.00 -3.07 0.00 0.00 36.82 36.05 3cf3 h ILE 430 CO 0.03 0.46 -1.16 -0.67 -0.69 0.00 0.00 178.15 176.12 3cf3 n ASP 431 N -3.86 -3.04 -3.25 1.72 -0.08 0.26 -4.96 116.55 103.33 3cf3 n ASP 431 Ca -0.01 1.24 -0.31 0.00 -1.51 0.00 0.00 54.79 54.20 3cf3 n ASP 431 Cb 0.51 -4.29 -0.04 0.00 2.34 0.00 0.00 41.12 39.64 3cf3 n ASP 431 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3cf3 n LEU 432 N 1.79 4.95 -4.65 -2.67 4.77 -1.22 -5.03 117.00 114.94 3cf3 n LEU 432 Ca -0.27 -5.55 -0.46 0.00 -0.03 0.00 0.00 56.01 49.71 3cf3 n LEU 432 Cb 0.44 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3cf3 n LEU 432 CO 0.30 2.18 1.60 -0.62 -1.33 0.00 0.00 177.39 179.52 3cf3 n GLU 433 N 0.17 2.36 -4.01 3.23 4.71 -1.26 -4.77 120.64 121.06 3cf3 n GLU 433 Ca 0.33 0.84 -0.10 0.00 -0.01 0.00 0.00 57.16 58.22 3cf3 n GLU 433 Cb 0.37 -2.84 -0.06 0.00 -1.01 0.00 0.00 31.44 27.89 3cf3 n GLU 433 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3cf3 s ASP 434 N 4.91 -0.03 0.00 1.62 1.01 -1.26 -4.96 116.67 117.95 3cf3 s ASP 434 Ca 0.93 -0.98 0.29 0.00 0.71 0.00 0.00 52.55 53.50 3cf3 s ASP 434 Cb -0.56 0.52 1.20 0.00 1.01 0.00 0.00 42.92 45.09 3cf3 s ASP 434 CO 0.46 -1.04 1.88 -0.62 0.21 0.00 0.00 175.17 176.06 3cf3 n GLU 435 N -0.33 0.18 -3.36 8.23 1.02 -1.26 -4.66 120.64 120.46 3cf3 n GLU 435 Ca -0.02 -0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.11 3cf3 n GLU 435 Cb 0.63 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 3cf3 n GLU 435 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3cf3 s THR 436 N -2.84 -0.63 0.57 2.62 -1.32 -1.26 -4.96 115.64 107.82 3cf3 s THR 436 Ca 0.19 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.48 3cf3 s THR 436 Cb 0.19 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 3cf3 s THR 436 CO 0.53 0.00 1.13 -0.63 -2.21 0.00 0.00 174.62 173.44 3cf3 s ILE 437 N 2.68 3.17 0.66 5.08 -1.09 -1.23 -4.66 121.20 125.81 3cf3 s ILE 437 Ca 0.01 0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 58.96 3cf3 s ILE 437 Cb -0.09 -3.24 -0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3cf3 s ILE 437 CO -0.17 -0.20 1.10 -0.62 -1.23 0.00 0.00 174.94 173.81 3cf3 s ASP 438 N -1.97 5.19 -0.00 3.58 2.15 -1.26 -2.46 116.67 121.90 3cf3 s ASP 438 Ca 0.71 1.94 0.04 0.00 0.43 0.00 0.00 52.55 55.67 3cf3 s ASP 438 Cb -0.23 -2.54 -0.25 0.00 -0.30 0.00 0.00 42.92 39.60 3cf3 s ASP 438 CO 0.31 -1.57 0.82 0.00 -0.17 0.00 0.00 175.17 174.55 3cf3 h ALA 439 N -0.01 0.47 -0.91 3.66 0.00 -1.41 -3.25 119.26 117.81 3cf3 h ALA 439 Ca -0.46 -1.22 0.03 0.00 0.00 0.00 0.00 54.91 53.26 3cf3 h ALA 439 Cb 1.24 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3cf3 h ALA 439 CO 0.55 1.33 0.59 0.93 0.00 0.00 0.00 179.25 182.64 3cf3 h GLU 440 N 0.03 1.12 0.84 0.00 4.39 -1.85 -2.38 114.58 116.73 3cf3 h GLU 440 Ca -0.23 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 3cf3 h GLU 440 Cb 1.97 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 30.38 3cf3 h GLU 440 CO 0.12 0.74 -0.40 0.28 -1.16 0.00 0.00 179.01 178.59 3cf3 h VAL 441 N 1.15 0.18 -0.32 3.13 2.07 -1.96 -2.47 116.25 118.03 3cf3 h VAL 441 Ca 0.36 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.97 3cf3 h VAL 441 Cb -0.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3cf3 h VAL 441 CO -0.12 0.00 0.27 0.24 0.02 0.00 0.00 177.57 177.98 3cf3 h MET 442 N -1.13 0.00 0.00 1.57 2.86 -1.56 0.33 114.93 117.01 3cf3 h MET 442 Ca -0.12 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3cf3 h MET 442 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 3cf3 h MET 442 CO 0.19 0.00 -0.44 -0.97 1.06 0.00 0.00 176.91 176.75 3cf3 h ASN 443 N 0.00 0.00 0.78 1.22 -0.73 -1.24 -3.16 115.58 112.45 3cf3 h ASN 443 Ca 0.15 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 58.07 3cf3 h ASN 443 Cb 0.69 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 3cf3 h ASN 443 CO -0.00 0.44 -1.23 0.77 -0.37 0.00 0.00 177.43 177.04 3cf3 h SER 444 N 0.00 0.13 -2.66 1.15 4.64 -0.51 -3.45 113.55 112.84 3cf3 h SER 444 Ca -0.00 -0.15 -0.52 0.00 -0.47 0.00 0.00 61.79 60.64 3cf3 h SER 444 Cb 1.26 -0.04 0.05 0.00 -0.31 0.00 0.00 62.40 63.36 3cf3 h SER 444 CO 0.06 1.12 1.02 -0.22 -0.87 0.00 0.00 176.83 177.94 3cf3 s LEU 445 N -6.72 4.38 0.03 5.97 0.20 -0.57 -5.01 118.68 116.96 3cf3 s LEU 445 Ca -0.02 2.81 0.06 0.00 0.69 0.00 0.00 54.13 57.67 3cf3 s LEU 445 Cb 0.09 -3.59 -0.02 0.00 -0.43 0.00 0.00 46.19 42.23 3cf3 s LEU 445 CO 0.84 -0.96 -0.19 0.00 -0.29 0.00 0.00 176.35 175.75 3cf3 s ALA 446 N 1.50 1.59 -0.22 5.97 0.00 -1.26 -4.43 121.76 124.90 3cf3 s ALA 446 Ca 0.75 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 3cf3 s ALA 446 Cb -0.48 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3cf3 s ALA 446 CO 0.33 0.36 0.12 0.08 0.00 0.00 0.00 175.76 176.64 3cf3 s VAL 447 N -0.72 5.11 0.12 0.00 1.01 -0.87 -4.91 120.40 120.14 3cf3 s VAL 447 Ca 0.06 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3cf3 s VAL 447 Cb -0.08 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3cf3 s VAL 447 CO 0.01 0.39 0.21 0.42 0.00 0.00 0.00 175.10 176.13 3cf3 s THR 448 N 0.81 5.08 0.66 3.92 -4.23 -1.26 -0.65 115.64 119.96 3cf3 s THR 448 Ca 0.06 -0.70 0.26 0.00 -1.18 0.00 0.00 61.69 60.14 3cf3 s THR 448 Cb -0.13 -3.55 0.27 0.00 1.34 0.00 0.00 72.50 70.43 3cf3 s THR 448 CO 0.02 -0.01 1.80 -0.03 -0.54 0.00 0.00 174.62 175.87 3cf3 h MET 449 N 2.59 0.00 0.00 3.99 1.85 -1.89 1.02 114.93 122.49 3cf3 h MET 449 Ca -0.47 0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 58.49 3cf3 h MET 449 Cb 1.18 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.19 3cf3 h MET 449 CO 0.69 0.00 -0.62 0.22 -0.40 0.00 0.00 176.91 176.80 3cf3 h ASP 450 N 0.00 0.00 0.17 1.39 3.58 -1.93 -2.26 116.42 117.37 3cf3 h ASP 450 Ca 0.02 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.21 3cf3 h ASP 450 Cb 0.88 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.94 3cf3 h ASP 450 CO -0.00 0.62 -1.05 0.44 -2.88 0.00 0.00 179.24 176.37 3cf3 h ASP 451 N 0.00 0.75 -0.46 2.28 3.32 0.76 -3.14 116.42 119.94 3cf3 h ASP 451 Ca -0.01 -0.62 -0.05 0.00 0.02 0.00 0.00 57.03 56.37 3cf3 h ASP 451 Cb 1.29 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3cf3 h ASP 451 CO 0.08 1.43 0.08 -0.26 -1.72 0.00 0.00 179.24 178.85 3cf3 h PHE 452 N 0.30 0.80 -0.63 4.55 -1.00 -1.48 -2.38 116.94 117.11 3cf3 h PHE 452 Ca -0.12 -0.11 0.13 0.00 2.81 0.00 0.00 57.97 60.68 3cf3 h PHE 452 Cb 1.70 -0.22 -0.12 0.00 3.61 0.00 0.00 35.95 40.92 3cf3 h PHE 452 CO 0.09 0.75 -0.13 -0.09 -1.61 0.00 0.00 178.31 177.32 3cf3 h ARG 453 N 0.63 0.02 -0.46 1.51 9.65 -1.44 0.48 114.38 124.76 3cf3 h ARG 453 Ca 0.14 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.05 3cf3 h ARG 453 Cb 0.37 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3cf3 h ARG 453 CO 0.01 0.01 0.30 2.35 2.80 0.00 0.00 179.97 185.44 3cf3 h TRP 454 N 0.02 0.51 0.47 2.20 7.01 -1.39 -1.16 115.95 123.60 3cf3 h TRP 454 Ca 0.31 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 3cf3 h TRP 454 Cb 0.48 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 3cf3 h TRP 454 CO -0.49 0.30 -0.23 0.00 -2.79 0.00 0.00 178.44 175.24 3cf3 h ALA 455 N 1.73 -1.08 -0.63 2.65 0.00 0.39 -2.59 119.26 119.74 3cf3 h ALA 455 Ca 0.18 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.07 3cf3 h ALA 455 Cb 0.07 0.24 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 3cf3 h ALA 455 CO -0.04 -1.03 -0.27 -0.07 0.00 0.00 0.00 179.25 177.83 3cf3 h LEU 456 N -0.68 -0.96 -0.92 0.00 3.38 -1.20 0.50 115.31 115.44 3cf3 h LEU 456 Ca -0.06 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3cf3 h LEU 456 Cb 0.48 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3cf3 h LEU 456 CO 0.11 -0.28 0.79 0.28 0.09 0.00 0.00 178.44 179.43 3cf3 h SER 457 N -0.10 0.00 -4.09 -0.43 0.02 -1.07 -3.40 113.55 104.47 3cf3 h SER 457 Ca 0.27 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.77 3cf3 h SER 457 Cb 0.53 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.23 3cf3 h SER 457 CO -0.69 0.00 0.42 -1.58 -1.14 0.00 0.00 176.83 173.84 3cf3 s GLN 458 N -4.14 0.89 0.00 3.45 2.00 0.18 -4.91 119.66 117.12 3cf3 s GLN 458 Ca -0.02 -0.34 0.12 0.00 -2.00 0.00 0.00 55.36 53.12 3cf3 s GLN 458 Cb 0.06 -1.87 0.69 0.00 0.80 0.00 0.00 33.01 32.68 3cf3 s GLN 458 CO 0.20 -2.26 1.44 0.43 -0.50 0.00 0.00 175.29 174.60 3cf3 n SER 459 N -3.67 0.06 -0.05 6.67 7.64 -1.26 -3.99 113.62 119.02 3cf3 n SER 459 Ca 0.14 -1.64 -0.01 0.00 1.01 0.00 0.00 58.87 58.36 3cf3 n SER 459 Cb 0.60 -0.00 0.25 0.00 -1.01 0.00 0.00 64.21 64.04 3cf3 n SER 459 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3cf3 h ASN 460 N 0.07 0.60 0.00 6.43 -1.07 -1.82 -2.78 115.58 117.01 3cf3 h ASN 460 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.25 3cf3 h ASN 460 Cb 0.02 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.11 3cf3 h ASN 460 CO 0.00 0.65 0.32 1.55 0.07 0.00 0.00 177.43 180.02 3cf3 h PRO 461 N 0.61 0.00 -3.94 4.14 0.13 -1.78 -3.37 132.00 127.79 3cf3 h PRO 461 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3cf3 h PRO 461 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3cf3 h PRO 461 CO 0.01 0.00 0.30 0.43 -0.23 0.00 0.00 178.00 178.51 3cf3 n SER 462 N -2.09 0.00 0.00 1.44 7.64 -1.05 -4.61 113.62 114.94 3cf3 n SER 462 Ca -0.01 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.94 3cf3 n SER 462 Cb 0.34 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3cf3 n SER 462 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cf3 n ALA 463 N 3.19 0.00 -2.85 -0.43 0.00 -1.26 -5.11 120.51 114.05 3cf3 n ALA 463 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3cf3 n ALA 463 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3cf3 n ALA 463 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cf3 s LEU 464 N 0.00 0.74 -0.26 0.00 1.43 -1.25 -5.07 118.68 114.28 3cf3 s LEU 464 Ca 0.00 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 3cf3 s LEU 464 Cb 0.00 1.56 0.13 0.00 0.03 0.00 0.00 46.19 47.92 3cf3 s LEU 464 CO 0.00 -0.82 0.33 -0.60 0.23 0.00 0.00 176.35 175.49 3cf3 s ARG 465 N -3.83 0.32 0.48 1.70 3.52 -1.26 -4.48 118.95 115.40 3cf3 s ARG 465 Ca 0.04 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.87 3cf3 s ARG 465 Cb 0.03 -0.64 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 3cf3 s ARG 465 CO -0.11 -0.83 0.07 -2.00 -0.81 0.00 0.00 175.30 171.63 3cf3 s GLU 466 N 2.45 2.12 -0.92 5.12 2.12 -1.26 -5.03 118.70 123.31 3cf3 s GLU 466 Ca 0.10 -2.35 -0.15 0.00 0.36 0.00 0.00 54.97 52.93 3cf3 s GLU 466 Cb -0.14 -1.03 -0.28 0.00 0.26 0.00 0.00 34.13 32.93 3cf3 s GLU 466 CO -0.23 -0.48 2.15 0.25 -0.54 0.00 0.00 175.26 176.41 3cf3 n THR 467 N -1.15 0.00 -2.68 -1.70 -2.24 -1.26 -4.81 114.28 100.45 3cf3 n THR 467 Ca -0.14 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 3cf3 n THR 467 Cb 0.66 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 3cf3 n THR 467 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cf3 s VAL 468 N 2.70 4.53 0.04 2.28 1.01 -1.26 -5.05 120.40 124.65 3cf3 s VAL 468 Ca 1.23 1.64 -0.04 0.00 0.00 0.00 0.00 61.98 64.82 3cf3 s VAL 468 Cb -0.91 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.04 3cf3 s VAL 468 CO 0.50 -0.48 0.25 -0.69 0.00 0.00 0.00 175.10 174.69 3cf3 s VAL 469 N 3.60 5.33 0.00 2.92 1.01 -1.26 -4.60 120.40 127.40 3cf3 s VAL 469 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3cf3 s VAL 469 Cb -0.12 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3cf3 s VAL 469 CO 0.16 0.25 0.00 -1.84 0.00 0.00 0.00 175.10 173.66 3cf3 n GLU 470 N 0.70 0.00 -4.30 2.72 0.28 -1.20 -4.89 120.64 113.96 3cf3 n GLU 470 Ca -0.08 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.72 3cf3 n GLU 470 Cb 0.52 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.26 3cf3 n GLU 470 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3cf3 s VAL 471 N -2.39 1.13 -0.06 3.84 1.01 -1.26 -1.28 120.40 121.40 3cf3 s VAL 471 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3cf3 s VAL 471 Cb 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 3cf3 s VAL 471 CO 0.00 -0.06 1.72 -2.84 0.00 0.00 0.00 175.10 173.92 3cf3 s PRO 472 N -1.33 4.12 -0.07 2.72 0.02 -1.26 -4.86 135.00 134.34 3cf3 s PRO 472 Ca 0.01 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.28 3cf3 s PRO 472 Cb -0.09 -4.03 0.21 0.00 0.02 0.00 0.00 34.50 30.61 3cf3 s PRO 472 CO 0.02 -0.93 0.88 0.00 -0.33 0.00 0.00 177.00 176.63 3cf3 n GLN 473 N 7.29 1.93 -4.12 5.54 0.00 -1.26 -4.68 117.38 122.08 3cf3 n GLN 473 Ca 0.18 -0.82 -0.15 0.00 0.00 0.00 0.00 57.00 56.21 3cf3 n GLN 473 Cb 0.43 -1.65 -0.12 0.00 0.00 0.00 0.00 30.24 28.90 3cf3 n GLN 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3cf3 s VAL 474 N -1.38 0.71 0.00 -0.39 0.11 -1.26 -5.15 120.40 113.03 3cf3 s VAL 474 Ca 0.14 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 3cf3 s VAL 474 Cb 0.11 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 3cf3 s VAL 474 CO 0.04 -0.27 0.00 0.35 -3.33 0.00 0.00 175.10 171.89 3cf3 n THR 475 N 1.60 0.00 1.26 5.04 -2.24 -1.26 -4.24 114.28 114.44 3cf3 n THR 475 Ca -0.21 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 3cf3 n THR 475 Cb 0.55 -0.28 0.62 0.00 -2.10 0.00 0.00 70.33 69.12 3cf3 n THR 475 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3cf3 n TRP 476 N -0.19 0.00 0.41 4.78 7.02 -1.26 -3.19 117.44 125.00 3cf3 n TRP 476 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 3cf3 n TRP 476 Cb 0.00 -0.30 0.47 0.00 -2.42 0.00 0.00 31.31 29.05 3cf3 n TRP 476 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3cf3 h GLU 477 N 0.18 0.00 -0.01 -0.99 5.08 -2.01 -2.62 114.58 114.22 3cf3 h GLU 477 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cf3 h GLU 477 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3cf3 h GLU 477 CO 0.00 0.00 -0.23 -0.25 -1.00 0.00 0.00 179.01 177.53 3cf3 n ASP 478 N -2.55 1.71 -4.23 1.42 9.92 -1.19 -4.78 116.55 116.85 3cf3 n ASP 478 Ca 0.03 -1.36 -0.39 0.00 -0.53 0.00 0.00 54.79 52.53 3cf3 n ASP 478 Cb 0.34 0.19 -0.10 0.00 -0.64 0.00 0.00 41.12 40.91 3cf3 n ASP 478 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3cf3 s ILE 479 N -2.32 4.01 0.19 0.53 1.01 -0.99 -4.89 121.20 118.74 3cf3 s ILE 479 Ca 0.26 -1.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.01 3cf3 s ILE 479 Cb 0.19 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 3cf3 s ILE 479 CO 0.46 -0.58 1.23 -0.83 0.00 0.00 0.00 174.94 175.22 3cf3 s GLY 480 N 2.16 2.61 0.00 6.18 0.00 -1.26 -4.83 107.32 112.17 3cf3 s GLY 480 Ca 0.04 1.00 0.00 0.00 0.00 0.00 0.00 44.72 45.76 3cf3 s GLY 480 CO 0.00 1.92 0.00 0.61 0.00 0.00 0.00 173.10 175.64 3cf3 n GLY 481 N 2.26 0.48 3.56 0.20 0.00 -1.26 -4.84 105.19 105.59 3cf3 n GLY 481 Ca 0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 3cf3 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cf3 n LEU 482 N 0.00 -3.76 0.08 0.99 4.77 -1.26 -4.92 117.00 112.89 3cf3 n LEU 482 Ca 0.00 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 3cf3 n LEU 482 Cb 0.00 -2.78 -0.15 0.00 -2.33 0.00 0.00 43.42 38.16 3cf3 n LEU 482 CO 0.00 0.34 -0.43 -0.33 -1.33 0.00 0.00 177.39 175.65 3cf3 h GLU 483 N -1.69 0.37 -0.96 3.23 4.39 -1.94 -3.09 114.58 114.90 3cf3 h GLU 483 Ca -0.62 -0.64 0.11 0.00 0.34 0.00 0.00 59.36 58.56 3cf3 h GLU 483 Cb 1.35 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 30.15 3cf3 h GLU 483 CO 0.51 1.27 0.59 0.38 -1.16 0.00 0.00 179.01 180.61 3cf3 h ASP 484 N 0.10 0.87 -0.08 1.42 2.03 -2.02 -2.29 116.42 116.45 3cf3 h ASP 484 Ca -0.30 0.05 -0.08 0.00 -0.73 0.00 0.00 57.03 55.97 3cf3 h ASP 484 Cb 2.09 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 40.46 3cf3 h ASP 484 CO 0.19 0.47 -0.28 -0.37 -1.03 0.00 0.00 179.24 178.22 3cf3 h VAL 485 N 0.95 1.42 -0.93 4.15 -1.51 -1.97 -3.16 116.25 115.20 3cf3 h VAL 485 Ca 0.47 -1.65 0.09 0.00 -1.23 0.00 0.00 66.70 64.38 3cf3 h VAL 485 Cb 0.45 2.27 -0.12 0.00 -2.13 0.00 0.00 31.29 31.76 3cf3 h VAL 485 CO -0.26 0.47 -0.57 0.11 -1.23 0.00 0.00 177.57 176.10 3cf3 h LYS 486 N -0.16 -0.05 -0.69 5.19 1.57 -1.32 0.43 116.57 121.54 3cf3 h LYS 486 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3cf3 h LYS 486 Cb 0.91 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 3cf3 h LYS 486 CO 0.06 -0.03 0.46 -0.09 -0.57 0.00 0.00 179.45 179.28 3cf3 h ARG 487 N -0.05 0.90 -0.92 3.15 2.43 -1.63 -2.20 114.38 116.05 3cf3 h ARG 487 Ca 0.17 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3cf3 h ARG 487 Cb 0.45 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3cf3 h ARG 487 CO -0.90 0.60 0.58 1.49 -1.51 0.00 0.00 179.97 180.23 3cf3 h GLU 488 N 0.93 1.03 -0.77 0.20 4.22 -0.18 -1.84 114.58 118.16 3cf3 h GLU 488 Ca 0.26 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.65 3cf3 h GLU 488 Cb -0.09 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.88 3cf3 h GLU 488 CO -0.06 0.68 0.51 -0.07 -2.18 0.00 0.00 179.01 177.89 3cf3 h LEU 489 N 1.06 0.87 -1.59 1.64 3.38 -0.49 -1.14 115.31 119.03 3cf3 h LEU 489 Ca 0.40 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 3cf3 h LEU 489 Cb 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3cf3 h LEU 489 CO -0.17 0.62 -0.19 1.56 0.09 0.00 0.00 178.44 180.35 3cf3 h GLN 490 N 1.02 0.00 0.00 1.13 4.20 -1.28 -2.15 115.11 118.04 3cf3 h GLN 490 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3cf3 h GLN 490 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3cf3 h GLN 490 CO -0.08 0.19 0.00 0.39 -0.67 0.00 0.00 178.83 178.66 3cf3 n GLU 491 N -3.63 0.20 -0.04 1.46 1.02 -0.44 0.41 120.64 119.62 3cf3 n GLU 491 Ca -0.01 0.33 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 3cf3 n GLU 491 Cb 0.32 -1.82 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 3cf3 n GLU 491 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3cf3 n LEU 492 N -2.19 0.00 -0.02 -4.62 4.77 -0.85 -4.53 117.00 109.56 3cf3 n LEU 492 Ca 0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 3cf3 n LEU 492 Cb 0.30 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3cf3 n LEU 492 CO 0.23 0.17 -0.63 1.33 -1.33 0.00 0.00 177.39 177.17 3cf3 n VAL 493 N -2.29 0.22 -0.07 4.08 0.24 -0.94 -4.57 118.33 115.00 3cf3 n VAL 493 Ca -0.13 -0.07 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 3cf3 n VAL 493 Cb 0.68 -0.92 -0.05 0.00 -1.47 0.00 0.00 33.84 32.09 3cf3 n VAL 493 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3cf3 h GLN 494 N -0.05 0.38 -0.32 7.34 1.08 -0.24 -3.19 115.11 120.12 3cf3 h GLN 494 Ca -0.09 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 56.93 3cf3 h GLN 494 Cb 1.12 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 3cf3 h GLN 494 CO -0.03 0.54 -0.09 1.88 -0.95 0.00 0.00 178.83 180.19 3cf3 h TYR 495 N 0.17 0.69 0.00 2.96 0.05 -1.64 -1.19 116.97 118.01 3cf3 h TYR 495 Ca 0.07 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.69 3cf3 h TYR 495 Cb 0.36 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3cf3 h TYR 495 CO 0.03 0.80 0.00 -1.00 -1.05 0.00 0.00 178.16 176.94 3cf3 h PRO 496 N 0.39 0.00 0.00 4.88 0.13 -1.80 -2.34 132.00 133.25 3cf3 h PRO 496 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 3cf3 h PRO 496 Cb 0.58 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 3cf3 h PRO 496 CO 0.03 0.00 -1.53 1.55 -0.23 0.00 0.00 178.00 177.83 3cf3 n VAL 497 N -2.29 0.53 0.37 1.56 3.14 -1.18 -4.05 118.33 116.40 3cf3 n VAL 497 Ca 0.01 -0.31 0.10 0.00 -2.96 0.00 0.00 64.34 61.18 3cf3 n VAL 497 Cb 0.15 -0.80 0.26 0.00 -1.06 0.00 0.00 33.84 32.39 3cf3 n VAL 497 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cf3 n GLU 498 N -2.34 2.29 -1.69 1.45 1.02 -0.46 -4.32 120.64 116.60 3cf3 n GLU 498 Ca -0.13 -1.99 -0.04 0.00 -0.02 0.00 0.00 57.16 54.98 3cf3 n GLU 498 Cb 0.74 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.71 3cf3 n GLU 498 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3cf3 n HIS 499 N 1.14 -0.69 0.20 -0.32 8.25 -0.88 -4.98 115.22 117.94 3cf3 n HIS 499 Ca 0.19 -1.00 0.08 0.00 -0.26 0.00 0.00 57.72 56.74 3cf3 n HIS 499 Cb 0.50 0.81 0.45 0.00 1.12 0.00 0.00 29.99 32.87 3cf3 n HIS 499 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf3 h PRO 500 N 0.52 0.00 -0.07 -0.41 0.11 -1.70 -0.09 132.00 130.35 3cf3 h PRO 500 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3cf3 h PRO 500 Cb 1.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3cf3 h PRO 500 CO -0.21 0.00 -0.53 0.38 -0.21 0.00 0.00 178.00 177.43 3cf3 h ASP 501 N 0.00 0.20 -0.01 -2.05 3.04 -1.92 -3.24 116.42 112.44 3cf3 h ASP 501 Ca 0.00 -0.10 -0.10 0.00 -3.24 0.00 0.00 57.03 53.59 3cf3 h ASP 501 Cb 0.60 -0.06 0.01 0.00 -1.04 0.00 0.00 39.33 38.84 3cf3 h ASP 501 CO 0.00 0.70 -0.37 0.11 -2.04 0.00 0.00 179.24 177.64 3cf3 h LYS 502 N 0.15 0.27 0.00 4.15 1.79 -1.39 -3.01 116.57 118.52 3cf3 h LYS 502 Ca 0.00 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3cf3 h LYS 502 Cb 0.98 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3cf3 h LYS 502 CO 0.08 0.97 0.26 0.74 -1.08 0.00 0.00 179.45 180.43 3cf3 h PHE 503 N -0.32 0.00 0.00 -1.35 0.04 -1.60 0.93 116.94 114.63 3cf3 h PHE 503 Ca -0.04 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.52 3cf3 h PHE 503 Cb 1.09 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 3cf3 h PHE 503 CO 0.16 0.00 -1.75 1.28 -0.60 0.00 0.00 178.31 177.40 3cf3 n LEU 504 N -2.69 0.56 -0.29 1.54 4.32 -1.21 -3.23 117.00 115.99 3cf3 n LEU 504 Ca -0.02 0.25 0.13 0.00 -0.02 0.00 0.00 56.01 56.35 3cf3 n LEU 504 Cb 0.31 0.18 0.37 0.00 -1.62 0.00 0.00 43.42 42.65 3cf3 n LEU 504 CO 0.12 0.24 1.22 0.11 -1.22 0.00 0.00 177.39 177.86 3cf3 h LYS 505 N 0.00 0.68 0.00 3.23 1.57 0.10 -2.54 116.57 119.62 3cf3 h LYS 505 Ca -0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3cf3 h LYS 505 Cb 1.72 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.88 3cf3 h LYS 505 CO 0.04 0.45 -1.66 1.19 -0.57 0.00 0.00 179.45 178.91 3cf3 n PHE 506 N -4.60 0.00 0.00 -1.35 3.72 -1.16 -5.03 117.46 109.04 3cf3 n PHE 506 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 3cf3 n PHE 506 Cb 0.51 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3cf3 n PHE 506 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cf3 n GLY 507 N 1.48 3.02 3.61 1.37 0.00 -0.96 -5.05 105.19 108.67 3cf3 n GLY 507 Ca -0.02 -0.83 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 3cf3 n GLY 507 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3cf3 n MET 508 N 0.00 1.53 -3.49 1.61 0.00 -1.26 -4.89 117.12 110.61 3cf3 n MET 508 Ca 0.00 0.54 -0.37 0.00 0.00 0.00 0.00 57.70 57.86 3cf3 n MET 508 Cb 0.00 -1.96 -0.06 0.00 0.00 0.00 0.00 33.22 31.20 3cf3 n MET 508 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cf3 s THR 509 N -1.04 5.19 0.50 3.17 -4.23 -1.26 -4.74 115.64 113.23 3cf3 s THR 509 Ca 0.58 0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 61.61 3cf3 s THR 509 Cb -0.67 -3.69 -0.08 0.00 1.34 0.00 0.00 72.50 69.39 3cf3 s THR 509 CO 0.60 0.46 0.96 -2.65 -0.54 0.00 0.00 174.62 173.46 3cf3 n PRO 510 N 2.83 1.14 -2.09 3.99 -0.02 -1.26 -4.94 135.00 134.64 3cf3 n PRO 510 Ca -0.12 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 3cf3 n PRO 510 Cb 0.52 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3cf3 n PRO 510 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cf3 s SER 511 N -0.95 6.49 0.32 2.55 1.04 -1.26 -4.94 113.70 116.94 3cf3 s SER 511 Ca 0.68 2.64 0.16 0.00 0.48 0.00 0.00 55.95 59.91 3cf3 s SER 511 Cb -0.49 -2.64 0.42 0.00 0.10 0.00 0.00 66.02 63.41 3cf3 s SER 511 CO 0.53 -0.73 1.61 0.11 0.98 0.00 0.00 173.24 175.75 3cf3 h LYS 512 N 2.92 0.00 -1.12 4.02 1.57 -1.85 -3.49 116.57 118.62 3cf3 h LYS 512 Ca -0.49 0.00 0.36 0.00 -1.87 0.00 0.00 60.65 58.65 3cf3 h LYS 512 Cb 1.24 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 3cf3 h LYS 512 CO 0.64 0.50 0.95 0.20 -0.57 0.00 0.00 179.45 181.17 3cf3 s GLY 513 N -4.43 -0.42 0.38 3.86 0.00 -1.19 -3.09 107.32 102.44 3cf3 s GLY 513 Ca 0.01 1.14 0.08 0.00 0.00 0.00 0.00 44.72 45.95 3cf3 s GLY 513 CO 0.72 0.28 0.12 0.14 0.00 0.00 0.00 173.10 174.36 3cf3 s VAL 514 N -2.11 2.47 -0.33 1.40 1.01 -0.32 -3.25 120.40 119.27 3cf3 s VAL 514 Ca 0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.33 3cf3 s VAL 514 Cb 0.05 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.60 3cf3 s VAL 514 CO -0.05 -0.08 0.16 -0.22 0.00 0.00 0.00 175.10 174.91 3cf3 s LEU 515 N -3.84 1.42 0.47 3.92 0.20 -0.57 -1.10 118.68 119.18 3cf3 s LEU 515 Ca 0.39 -1.82 -0.21 0.00 0.69 0.00 0.00 54.13 53.18 3cf3 s LEU 515 Cb 0.02 -0.60 -0.08 0.00 -0.43 0.00 0.00 46.19 45.11 3cf3 s LEU 515 CO 0.22 -0.37 1.07 -0.36 -0.29 0.00 0.00 176.35 176.61 3cf3 s PHE 516 N 1.44 2.99 0.23 5.38 0.08 0.15 -2.79 117.98 125.45 3cf3 s PHE 516 Ca 0.13 1.58 -0.18 0.00 0.12 0.00 0.00 56.93 58.58 3cf3 s PHE 516 Cb -0.19 -3.16 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 3cf3 s PHE 516 CO -0.18 -1.00 0.59 1.52 -0.10 0.00 0.00 175.22 176.05 3cf3 s TYR 517 N -1.82 -0.10 -3.52 0.36 -0.85 -0.88 -2.00 117.35 108.54 3cf3 s TYR 517 Ca 0.66 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 3cf3 s TYR 517 Cb -0.20 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.62 3cf3 s TYR 517 CO 0.25 -1.04 0.00 0.41 -1.52 0.00 0.00 175.55 173.65 3cf3 n GLY 518 N -0.39 0.88 3.51 5.49 0.00 -1.18 -0.73 105.19 112.77 3cf3 n GLY 518 Ca -0.07 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3cf3 n GLY 518 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cf3 n PRO 519 N -0.89 -0.27 -2.62 1.61 -0.04 -1.25 -4.21 135.00 127.33 3cf3 n PRO 519 Ca 0.00 -0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.02 3cf3 n PRO 519 Cb 0.00 -2.04 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 3cf3 n PRO 519 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3cf3 s PRO 520 N -3.89 4.65 -0.07 0.54 0.02 -1.26 -4.21 135.00 130.78 3cf3 s PRO 520 Ca 0.61 1.58 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 3cf3 s PRO 520 Cb -0.23 -3.33 -0.00 0.00 0.02 0.00 0.00 34.50 30.96 3cf3 s PRO 520 CO 0.63 0.15 0.06 0.41 -0.33 0.00 0.00 177.00 177.92 3cf3 n GLY 521 N 2.14 0.53 0.00 0.52 0.00 -1.26 -4.79 105.19 102.33 3cf3 n GLY 521 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3cf3 n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 n GLY 523 N -0.22 0.73 0.34 0.00 0.00 -1.26 -4.86 105.19 99.93 3cf3 n GLY 523 Ca 0.00 -0.30 0.16 0.00 0.00 0.00 0.00 46.02 45.89 3cf3 n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf3 h LYS 524 N 1.10 0.00 0.11 1.61 1.57 -1.94 -0.45 116.57 118.57 3cf3 h LYS 524 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 3cf3 h LYS 524 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3cf3 h LYS 524 CO 0.00 0.00 -1.39 1.15 -0.57 0.00 0.00 179.45 178.64 3cf3 h THR 525 N 0.00 1.03 -0.57 -0.16 2.02 -2.00 -3.23 112.91 110.00 3cf3 h THR 525 Ca 0.16 -2.39 0.09 0.00 0.77 0.00 0.00 66.41 65.04 3cf3 h THR 525 Cb 0.66 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.74 3cf3 h THR 525 CO -0.00 0.69 0.38 -0.07 0.37 0.00 0.00 175.52 176.89 3cf3 h LEU 526 N -0.34 0.35 -0.08 2.58 3.38 -1.81 -1.36 115.31 118.03 3cf3 h LEU 526 Ca -0.30 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3cf3 h LEU 526 Cb 1.73 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 3cf3 h LEU 526 CO 0.05 0.21 -0.02 -0.07 0.09 0.00 0.00 178.44 178.70 3cf3 h LEU 527 N 0.39 0.14 -1.41 1.67 3.38 -1.22 -0.10 115.31 118.16 3cf3 h LEU 527 Ca 0.26 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3cf3 h LEU 527 Cb 0.52 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3cf3 h LEU 527 CO -0.07 0.47 0.44 0.00 0.09 0.00 0.00 178.44 179.38 3cf3 h ALA 528 N 0.68 1.69 0.04 1.53 0.00 -1.29 -1.46 119.26 120.44 3cf3 h ALA 528 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cf3 h ALA 528 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3cf3 h ALA 528 CO 0.01 0.22 -0.02 0.87 0.00 0.00 0.00 179.25 180.33 3cf3 h LYS 529 N 0.74 -0.05 -0.93 0.00 1.57 -1.31 -3.28 116.57 113.31 3cf3 h LYS 529 Ca 0.28 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.22 3cf3 h LYS 529 Cb 0.17 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 3cf3 h LYS 529 CO -0.08 0.57 0.59 0.00 -0.57 0.00 0.00 179.45 179.95 3cf3 h ALA 530 N -0.28 1.81 0.00 3.86 0.00 -0.86 -0.13 119.26 123.65 3cf3 h ALA 530 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3cf3 h ALA 530 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3cf3 h ALA 530 CO 0.01 -0.07 -0.25 0.97 0.00 0.00 0.00 179.25 179.91 3cf3 h ILE 531 N 0.72 0.69 0.00 0.00 6.09 -1.40 -2.14 117.51 121.46 3cf3 h ILE 531 Ca 0.48 -1.09 -0.13 0.00 -1.37 0.00 0.00 64.86 62.75 3cf3 h ILE 531 Cb 0.77 1.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.73 3cf3 h ILE 531 CO -0.24 0.24 -0.78 0.00 -3.07 0.00 0.00 178.15 174.31 3cf3 h ALA 532 N 1.75 0.63 -0.08 0.18 0.00 -1.10 -2.90 119.26 117.74 3cf3 h ALA 532 Ca -0.00 -0.61 -0.23 0.00 0.00 0.00 0.00 54.91 54.07 3cf3 h ALA 532 Cb 0.68 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3cf3 h ALA 532 CO 0.03 0.78 -0.88 -0.97 0.00 0.00 0.00 179.25 178.22 3cf3 h ASN 533 N 0.00 0.84 -0.11 0.00 -1.24 -1.12 0.62 115.58 114.56 3cf3 h ASN 533 Ca -0.04 -0.60 0.04 0.00 0.71 0.00 0.00 56.30 56.41 3cf3 h ASN 533 Cb 1.48 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 40.24 3cf3 h ASN 533 CO 0.07 1.39 -0.16 -0.08 -1.29 0.00 0.00 177.43 177.37 3cf3 h GLU 534 N 0.43 -0.20 -0.17 6.67 4.57 -1.38 0.20 114.58 124.70 3cf3 h GLU 534 Ca -0.08 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3cf3 h GLU 534 Cb 1.51 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 3cf3 h GLU 534 CO 0.17 -0.13 0.00 0.00 -1.18 0.00 0.00 179.01 177.87 3cf3 n GLN 536 N 0.01 -1.79 -4.17 0.00 1.13 0.06 -4.95 117.38 107.66 3cf3 n GLN 536 Ca 0.06 0.28 -0.27 0.00 -1.94 0.00 0.00 57.00 55.13 3cf3 n GLN 536 Cb 0.15 -3.86 -0.05 0.00 0.11 0.00 0.00 30.24 26.59 3cf3 n GLN 536 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf3 s ALA 537 N -3.88 4.01 0.42 -1.58 0.00 0.21 -4.94 121.76 116.00 3cf3 s ALA 537 Ca 0.19 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 3cf3 s ALA 537 Cb -0.09 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 3cf3 s ALA 537 CO 0.92 -0.24 0.82 -0.80 0.00 0.00 0.00 175.76 176.47 3cf3 s ASN 538 N -4.04 6.58 -0.09 0.00 0.01 -0.95 -4.14 114.94 112.31 3cf3 s ASN 538 Ca 0.31 1.26 0.04 0.00 -0.71 0.00 0.00 52.86 53.76 3cf3 s ASN 538 Cb 0.01 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.29 3cf3 s ASN 538 CO 0.18 -0.42 -0.23 0.12 -1.51 0.00 0.00 177.10 175.24 3cf3 s PHE 539 N -2.39 2.54 -0.25 2.20 5.36 -0.40 -1.57 117.98 123.47 3cf3 s PHE 539 Ca 0.53 -0.88 -0.01 0.00 -0.96 0.00 0.00 56.93 55.62 3cf3 s PHE 539 Cb -0.10 -1.68 0.08 0.00 -0.34 0.00 0.00 43.02 40.97 3cf3 s PHE 539 CO 0.30 -0.32 0.03 0.42 -1.46 0.00 0.00 175.22 174.20 3cf3 s ILE 540 N 0.14 0.99 -0.52 3.12 1.01 -1.17 -3.22 121.20 121.55 3cf3 s ILE 540 Ca -0.12 -1.11 -0.15 0.00 0.00 0.00 0.00 60.65 59.27 3cf3 s ILE 540 Cb -0.16 -1.53 0.12 0.00 0.01 0.00 0.00 42.46 40.90 3cf3 s ILE 540 CO 0.07 -0.37 0.46 -0.55 0.00 0.00 0.00 174.94 174.56 3cf3 s SER 541 N 1.61 6.11 -0.87 3.58 0.15 -1.26 -1.30 113.70 121.71 3cf3 s SER 541 Ca 0.02 -1.75 -0.20 0.00 0.70 0.00 0.00 55.95 54.72 3cf3 s SER 541 Cb -0.18 -2.18 0.10 0.00 -1.71 0.00 0.00 66.02 62.06 3cf3 s SER 541 CO -0.14 -0.81 1.14 -0.63 1.20 0.00 0.00 173.24 174.00 3cf3 s ILE 542 N 1.57 4.49 0.43 6.45 1.09 -0.49 -4.99 121.20 129.74 3cf3 s ILE 542 Ca 0.03 -1.12 -0.22 0.00 -1.10 0.00 0.00 60.65 58.24 3cf3 s ILE 542 Cb -0.29 -4.80 -0.10 0.00 -1.06 0.00 0.00 42.46 36.21 3cf3 s ILE 542 CO 0.03 -1.57 0.98 -0.54 -0.10 0.00 0.00 174.94 173.74 3cf3 s LYS 543 N 3.42 4.18 0.05 2.79 1.02 -1.26 -2.44 119.74 127.50 3cf3 s LYS 543 Ca 0.32 1.23 -0.10 0.00 0.02 0.00 0.00 55.97 57.44 3cf3 s LYS 543 Cb -0.07 -2.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3cf3 s LYS 543 CO -0.04 -0.09 0.66 0.41 -0.92 0.00 0.00 175.35 175.37 3cf3 n GLY 544 N -0.32 -1.38 0.55 -3.33 0.00 -1.25 -0.77 105.19 98.69 3cf3 n GLY 544 Ca 0.07 0.48 0.37 0.00 0.00 0.00 0.00 46.02 46.94 3cf3 n GLY 544 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cf3 h PRO 545 N 0.00 0.05 0.00 1.61 0.11 -1.93 0.42 132.00 132.26 3cf3 h PRO 545 Ca 0.05 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.98 3cf3 h PRO 545 Cb 0.13 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 3cf3 h PRO 545 CO -0.30 0.03 -0.83 1.49 -0.21 0.00 0.00 178.00 178.18 3cf3 h GLU 546 N 0.05 0.02 -0.33 1.05 4.81 -1.33 0.36 114.58 119.21 3cf3 h GLU 546 Ca 0.65 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.72 3cf3 h GLU 546 Cb 2.49 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.87 3cf3 h GLU 546 CO -0.07 0.84 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.60 3cf3 h LEU 547 N 0.01 0.91 -0.24 1.64 3.38 -0.14 -2.48 115.31 118.39 3cf3 h LEU 547 Ca -0.01 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.34 3cf3 h LEU 547 Cb 1.47 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3cf3 h LEU 547 CO 0.11 1.21 -0.37 -0.07 0.09 0.00 0.00 178.44 179.41 3cf3 h LEU 548 N 0.63 0.74 -0.76 1.67 3.38 -1.13 -0.96 115.31 118.89 3cf3 h LEU 548 Ca 0.05 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.63 3cf3 h LEU 548 Cb 0.97 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 3cf3 h LEU 548 CO 0.09 1.11 0.34 0.74 0.09 0.00 0.00 178.44 180.81 3cf3 h THR 549 N 0.38 0.72 -0.20 0.22 2.02 -0.19 0.35 112.91 116.21 3cf3 h THR 549 Ca 0.02 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3cf3 h THR 549 Cb 0.95 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3cf3 h THR 549 CO 0.08 0.09 -0.10 0.24 0.37 0.00 0.00 175.52 176.21 3cf3 h MET 550 N 0.52 0.42 -0.52 6.66 2.86 -1.35 -2.51 114.93 121.00 3cf3 h MET 550 Ca 0.41 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.92 3cf3 h MET 550 Cb 0.56 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 3cf3 h MET 550 CO -0.36 0.71 0.22 2.35 1.06 0.00 0.00 176.91 180.90 3cf3 h TRP 551 N 0.12 0.40 -0.40 -0.22 7.01 0.37 0.28 115.95 123.51 3cf3 h TRP 551 Ca 0.04 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.93 3cf3 h TRP 551 Cb 0.59 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3cf3 h TRP 551 CO 0.06 0.16 -0.30 0.74 -2.79 0.00 0.00 178.44 176.31 3cf3 h PHE 552 N 0.43 1.08 -0.02 2.65 0.04 -0.42 -3.02 116.94 117.68 3cf3 h PHE 552 Ca 0.24 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3cf3 h PHE 552 Cb 0.22 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3cf3 h PHE 552 CO -0.13 1.11 0.00 0.41 -0.60 0.00 0.00 178.31 179.10 3cf3 n GLY 553 N 0.05 -0.72 2.43 -1.45 0.00 -0.95 -4.87 105.19 99.69 3cf3 n GLY 553 Ca -0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 3cf3 n GLY 553 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf3 n GLU 554 N -0.63 -1.63 -2.74 1.61 1.02 -0.09 -4.88 120.64 113.30 3cf3 n GLU 554 Ca 0.20 1.02 -0.37 0.00 -0.02 0.00 0.00 57.16 57.99 3cf3 n GLU 554 Cb 0.16 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.04 3cf3 n GLU 554 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cf3 n SER 555 N -1.61 6.46 -0.08 1.62 3.41 -0.18 -4.68 113.62 118.56 3cf3 n SER 555 Ca -0.21 -3.69 0.09 0.00 -0.26 0.00 0.00 58.87 54.80 3cf3 n SER 555 Cb 0.65 -0.98 0.51 0.00 -0.26 0.00 0.00 64.21 64.13 3cf3 n SER 555 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3cf3 n GLU 556 N -0.11 1.10 0.09 4.33 0.00 -1.26 -3.18 120.64 121.61 3cf3 n GLU 556 Ca 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 57.16 57.42 3cf3 n GLU 556 Cb 0.30 -1.30 0.28 0.00 0.00 0.00 0.00 31.44 30.72 3cf3 n GLU 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3cf3 h ALA 557 N 3.63 1.24 -0.48 -1.84 0.00 -1.94 -2.78 119.26 117.09 3cf3 h ALA 557 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 54.91 54.71 3cf3 h ALA 557 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3cf3 h ALA 557 CO 0.00 0.51 0.34 -0.91 0.00 0.00 0.00 179.25 179.19 3cf3 h ASN 558 N 0.24 0.05 -0.77 0.00 4.21 -1.96 -2.60 115.58 114.74 3cf3 h ASN 558 Ca 0.04 0.00 0.17 0.00 1.21 0.00 0.00 56.30 57.71 3cf3 h ASN 558 Cb 0.64 -0.01 -0.14 0.00 -1.12 0.00 0.00 38.32 37.69 3cf3 h ASN 558 CO 0.05 0.03 -0.11 0.58 -1.29 0.00 0.00 177.43 176.68 3cf3 h VAL 559 N 0.05 0.26 -0.62 2.81 2.07 -1.75 0.25 116.25 119.33 3cf3 h VAL 559 Ca 0.23 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3cf3 h VAL 559 Cb 0.84 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3cf3 h VAL 559 CO -0.01 0.01 0.35 -0.09 0.02 0.00 0.00 177.57 177.85 3cf3 h ARG 560 N 0.03 0.66 -0.84 1.57 2.43 -1.68 -1.52 114.38 115.03 3cf3 h ARG 560 Ca 0.39 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.68 3cf3 h ARG 560 Cb 0.65 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 3cf3 h ARG 560 CO -0.75 0.44 0.55 1.49 -1.51 0.00 0.00 179.97 180.19 3cf3 h GLU 561 N 0.68 0.50 0.31 0.20 4.22 -0.66 -2.71 114.58 117.12 3cf3 h GLU 561 Ca 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 3cf3 h GLU 561 Cb 0.10 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3cf3 h GLU 561 CO -0.14 0.33 -0.15 0.82 -2.18 0.00 0.00 179.01 177.70 3cf3 h ILE 562 N 0.52 0.00 -0.54 2.32 2.04 -0.60 -2.81 117.51 118.43 3cf3 h ILE 562 Ca 0.42 -0.14 0.16 0.00 1.00 0.00 0.00 64.86 66.30 3cf3 h ILE 562 Cb 0.88 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3cf3 h ILE 562 CO -0.17 0.00 0.82 -0.26 0.00 0.00 0.00 178.15 178.54 3cf3 h PHE 563 N -0.55 0.00 0.10 1.37 0.04 -1.31 0.08 116.94 116.68 3cf3 h PHE 563 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3cf3 h PHE 563 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3cf3 h PHE 563 CO 0.09 0.00 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.31 3cf3 h ASP 564 N 0.00 -0.12 0.00 2.17 3.32 -1.44 -2.53 116.42 117.82 3cf3 h ASP 564 Ca 0.26 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3cf3 h ASP 564 Cb 1.90 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.48 3cf3 h ASP 564 CO -0.00 0.49 0.00 1.17 -1.72 0.00 0.00 179.24 179.17 3cf3 n LYS 565 N -4.84 0.09 -0.02 3.56 4.81 -0.02 0.00 118.16 121.75 3cf3 n LYS 565 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 3cf3 n LYS 565 Cb 0.20 -1.15 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 3cf3 n LYS 565 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf3 n ALA 566 N -0.65 2.06 0.09 3.14 0.00 -0.99 -4.42 120.51 119.74 3cf3 n ALA 566 Ca 0.01 -0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.17 3cf3 n ALA 566 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.35 3cf3 n ALA 566 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3cf3 h ARG 567 N 0.00 0.00 -1.55 0.00 2.43 0.03 -3.01 114.38 112.28 3cf3 h ARG 567 Ca -0.10 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.40 3cf3 h ARG 567 Cb 0.90 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 30.19 3cf3 h ARG 567 CO 0.01 0.20 0.87 0.94 -1.51 0.00 0.00 179.97 180.48 3cf3 n GLN 568 N -2.90 2.61 0.00 0.20 7.27 0.12 -3.82 117.38 120.85 3cf3 n GLN 568 Ca -0.03 -3.14 0.00 0.00 0.07 0.00 0.00 57.00 53.90 3cf3 n GLN 568 Cb 0.70 -2.21 0.00 0.00 2.41 0.00 0.00 30.24 31.14 3cf3 n GLN 568 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3cf3 n ALA 569 N -0.48 0.18 -1.64 1.69 0.00 -1.22 -4.91 120.51 114.13 3cf3 n ALA 569 Ca 0.55 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 3cf3 n ALA 569 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 3cf3 n ALA 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf3 n ALA 570 N 0.00 0.57 -1.63 0.00 0.00 -1.14 -4.38 120.51 113.93 3cf3 n ALA 570 Ca 0.00 0.16 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 3cf3 n ALA 570 Cb 0.14 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.47 3cf3 n ALA 570 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3cf3 s PRO 571 N -2.36 2.99 -0.14 0.00 0.02 -1.26 -5.03 135.00 129.21 3cf3 s PRO 571 Ca 0.67 1.54 -0.31 0.00 0.02 0.00 0.00 61.00 62.92 3cf3 s PRO 571 Cb -0.49 -1.96 0.13 0.00 0.02 0.00 0.00 34.50 32.20 3cf3 s PRO 571 CO 0.53 -1.12 1.08 0.00 -0.33 0.00 0.00 177.00 177.16 3cf3 s VAL 573 N -2.08 2.43 -0.63 0.00 -7.23 -0.61 -1.09 120.40 111.20 3cf3 s VAL 573 Ca 0.05 -2.84 -0.26 0.00 -1.81 0.00 0.00 61.98 57.12 3cf3 s VAL 573 Cb -0.01 -2.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3cf3 s VAL 573 CO -0.04 -0.70 1.92 -0.22 -0.31 0.00 0.00 175.10 175.75 3cf3 s LEU 574 N 0.30 3.28 -0.23 1.32 2.96 -0.75 -3.04 118.68 122.52 3cf3 s LEU 574 Ca 0.14 0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 54.24 3cf3 s LEU 574 Cb -0.22 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 3cf3 s LEU 574 CO -0.04 -2.47 0.22 0.12 -1.32 0.00 0.00 176.35 172.86 3cf3 s PHE 575 N 9.51 3.32 -0.35 5.38 5.36 -0.42 -1.80 117.98 138.98 3cf3 s PHE 575 Ca 0.70 0.32 -0.06 0.00 -0.96 0.00 0.00 56.93 56.94 3cf3 s PHE 575 Cb -0.12 -2.34 0.05 0.00 -0.34 0.00 0.00 43.02 40.27 3cf3 s PHE 575 CO 0.19 0.03 0.12 -0.06 -1.46 0.00 0.00 175.22 174.04 3cf3 s PHE 576 N 1.16 3.30 0.85 10.12 0.40 0.57 -1.40 117.98 132.99 3cf3 s PHE 576 Ca 0.10 -1.61 -0.12 0.00 -0.60 0.00 0.00 56.93 54.70 3cf3 s PHE 576 Cb -0.14 -2.43 0.12 0.00 0.51 0.00 0.00 43.02 41.08 3cf3 s PHE 576 CO 0.06 -0.78 1.20 0.34 0.70 0.00 0.00 175.22 176.74 3cf3 s ASP 577 N 1.51 4.07 -0.24 1.36 2.15 -1.02 -0.93 116.67 123.57 3cf3 s ASP 577 Ca -0.01 0.54 -0.01 0.00 0.43 0.00 0.00 52.55 53.51 3cf3 s ASP 577 Cb -0.20 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.52 3cf3 s ASP 577 CO 0.01 -2.15 0.01 -0.62 -0.17 0.00 0.00 175.17 172.26 3cf3 n GLU 578 N -3.41 -0.98 0.13 4.34 1.02 -1.17 -3.80 120.64 116.77 3cf3 n GLU 578 Ca 0.11 -0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 3cf3 n GLU 578 Cb 0.60 -0.45 0.47 0.00 -0.02 0.00 0.00 31.44 32.04 3cf3 n GLU 578 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3cf3 n LEU 579 N -1.57 0.44 0.13 -4.62 0.00 -0.88 -0.48 117.00 110.03 3cf3 n LEU 579 Ca -0.05 0.70 0.12 0.00 0.00 0.00 0.00 56.01 56.78 3cf3 n LEU 579 Cb 0.11 -0.75 0.15 0.00 0.00 0.00 0.00 43.42 42.92 3cf3 n LEU 579 CO 0.13 -0.85 0.45 -2.24 0.00 0.00 0.00 177.39 174.88 3cf3 h ASP 580 N 0.00 0.00 -0.84 1.96 2.03 -1.81 -3.40 116.42 114.36 3cf3 h ASP 580 Ca 0.00 -0.05 0.11 0.00 -0.73 0.00 0.00 57.03 56.36 3cf3 h ASP 580 Cb 0.04 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.42 3cf3 h ASP 580 CO 0.00 0.03 -0.39 -1.54 -1.03 0.00 0.00 179.24 176.31 3cf3 n SER 581 N -2.61 -0.67 0.09 4.15 3.41 0.37 0.19 113.62 118.54 3cf3 n SER 581 Ca 0.03 1.48 0.09 0.00 -0.26 0.00 0.00 58.87 60.21 3cf3 n SER 581 Cb 0.50 -0.28 0.56 0.00 -0.26 0.00 0.00 64.21 64.73 3cf3 n SER 581 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3cf3 h ILE 582 N 0.00 0.97 0.12 -1.33 2.04 -1.80 0.13 117.51 117.64 3cf3 h ILE 582 Ca 0.23 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3cf3 h ILE 582 Cb 0.44 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3cf3 h ILE 582 CO -0.82 0.04 -0.06 0.00 0.00 0.00 0.00 178.15 177.32 3cf3 h ALA 583 N 1.83 -0.16 -0.52 1.87 0.00 -0.54 -2.81 119.26 118.94 3cf3 h ALA 583 Ca 0.13 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3cf3 h ALA 583 Cb 0.22 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3cf3 h ALA 583 CO -0.02 -0.27 0.25 0.87 0.00 0.00 0.00 179.25 180.07 3cf3 h LYS 584 N -0.79 0.47 0.00 0.00 1.57 -0.90 0.40 116.57 117.32 3cf3 h LYS 584 Ca -0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3cf3 h LYS 584 Cb 0.55 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3cf3 h LYS 584 CO 0.03 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 3cf3 n ALA 585 N -2.35 -0.18 0.00 3.86 0.00 0.40 -1.07 120.51 121.17 3cf3 n ALA 585 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3cf3 n ALA 585 Cb 0.15 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3cf3 n ALA 585 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3cf3 n ARG 586 N -2.26 0.00 0.00 0.00 1.85 -1.06 -4.69 116.66 110.50 3cf3 n ARG 586 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3cf3 n ARG 586 Cb 0.00 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 3cf3 n ARG 586 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cf3 n GLY 587 N -0.77 3.75 6.88 2.89 0.00 -0.23 -4.23 105.19 113.49 3cf3 n GLY 587 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3cf3 n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf3 n GLY 588 N 0.00 0.79 0.00 -0.02 0.00 0.10 -3.91 105.19 102.15 3cf3 n GLY 588 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3cf3 n GLY 588 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf3 n ASN 589 N 7.46 0.00 0.14 1.61 3.02 -1.26 -3.95 115.26 122.27 3cf3 n ASN 589 Ca 0.00 0.33 -0.06 0.00 -0.03 0.00 0.00 54.58 54.83 3cf3 n ASN 589 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3cf3 n ASN 589 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3cf3 h ILE 590 N 0.00 0.00 -0.05 2.41 3.07 -1.98 -3.49 117.51 117.47 3cf3 h ILE 590 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3cf3 h ILE 590 Cb 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.55 3cf3 h ILE 590 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3cf3 n GLY 591 N -0.61 -0.46 1.10 0.16 0.00 -1.25 -4.97 105.19 99.15 3cf3 n GLY 591 Ca -0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 3cf3 n GLY 591 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cf3 n ASP 592 N 0.06 1.12 0.03 1.61 5.75 -1.26 -4.90 116.55 118.96 3cf3 n ASP 592 Ca 0.00 -1.71 0.21 0.00 -0.01 0.00 0.00 54.79 53.28 3cf3 n ASP 592 Cb 0.00 0.32 0.73 0.00 -1.03 0.00 0.00 41.12 41.14 3cf3 n ASP 592 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3cf3 h GLY 593 N 0.52 0.00 -0.33 6.12 0.00 -1.98 -3.44 103.07 103.96 3cf3 h GLY 593 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 3cf3 h GLY 593 CO 0.17 0.00 0.08 0.61 0.00 0.00 0.00 176.54 177.40 3cf3 n GLY 594 N -1.57 -2.10 0.00 4.60 0.00 -1.26 -5.11 105.19 99.75 3cf3 n GLY 594 Ca 0.09 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3cf3 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf3 n GLY 595 N 0.47 1.31 0.12 -0.02 0.00 -1.26 -5.04 105.19 100.77 3cf3 n GLY 595 Ca 0.06 -1.97 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 3cf3 n GLY 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf3 h ALA 596 N -0.88 0.65 -2.36 4.61 0.00 -1.96 -3.46 119.26 115.88 3cf3 h ALA 596 Ca 0.00 -0.64 -0.51 0.00 0.00 0.00 0.00 54.91 53.77 3cf3 h ALA 596 Cb 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 17.78 3cf3 h ALA 596 CO 0.00 0.88 0.36 0.00 0.00 0.00 0.00 179.25 180.49 3cf3 s ALA 597 N -3.09 2.55 0.25 0.00 0.00 -1.26 -4.43 121.76 115.78 3cf3 s ALA 597 Ca 0.01 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 3cf3 s ALA 597 Cb 0.10 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 20.09 3cf3 s ALA 597 CO 0.77 -1.38 0.67 0.16 0.00 0.00 0.00 175.76 175.98 3cf3 s ASP 598 N -3.82 -0.32 0.22 0.00 1.47 -1.26 -5.06 116.67 107.90 3cf3 s ASP 598 Ca 0.59 -0.49 -0.09 0.00 1.18 0.00 0.00 52.55 53.74 3cf3 s ASP 598 Cb -0.14 0.68 0.22 0.00 -0.34 0.00 0.00 42.92 43.34 3cf3 s ASP 598 CO 0.55 -1.24 1.87 0.08 0.68 0.00 0.00 175.17 177.11 3cf3 h ARG 599 N 2.03 0.96 0.01 2.11 0.11 -1.98 -2.27 114.38 115.35 3cf3 h ARG 599 Ca -0.23 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 59.79 3cf3 h ARG 599 Cb 1.26 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.13 3cf3 h ARG 599 CO 0.28 0.64 -0.01 0.28 0.10 0.00 0.00 179.97 181.26 3cf3 h VAL 600 N 0.99 1.40 -0.76 0.08 2.07 -1.93 -2.99 116.25 115.10 3cf3 h VAL 600 Ca 0.31 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3cf3 h VAL 600 Cb -0.01 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3cf3 h VAL 600 CO -0.10 0.33 0.50 0.40 0.02 0.00 0.00 177.57 178.71 3cf3 h ILE 601 N -0.58 1.05 0.25 4.57 1.08 -1.97 -2.55 117.51 119.36 3cf3 h ILE 601 Ca -0.00 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3cf3 h ILE 601 Cb 0.55 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3cf3 h ILE 601 CO 0.00 0.15 -0.12 -1.13 -0.69 0.00 0.00 178.15 176.36 3cf3 h ASN 602 N 0.84 -0.29 -0.89 1.72 -1.24 -1.44 -2.86 115.58 111.42 3cf3 h ASN 602 Ca 0.32 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.42 3cf3 h ASN 602 Cb 0.20 0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 3cf3 h ASN 602 CO -0.11 -0.19 0.57 -0.61 -1.29 0.00 0.00 177.43 175.80 3cf3 h GLN 603 N -0.35 0.88 0.00 6.67 5.75 -1.31 0.43 115.11 127.18 3cf3 h GLN 603 Ca -0.03 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3cf3 h GLN 603 Cb 0.27 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 3cf3 h GLN 603 CO 0.06 0.58 -0.08 0.82 -2.65 0.00 0.00 178.83 177.56 3cf3 h ILE 604 N 0.91 0.23 0.14 2.39 2.04 -1.36 -1.97 117.51 119.89 3cf3 h ILE 604 Ca 0.41 -0.63 -0.28 0.00 1.00 0.00 0.00 64.86 65.35 3cf3 h ILE 604 Cb 0.36 1.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3cf3 h ILE 604 CO -0.17 0.08 -1.26 -0.07 0.00 0.00 0.00 178.15 176.73 3cf3 h LEU 605 N 0.00 0.49 -0.38 1.44 3.38 -0.70 -0.61 115.31 118.92 3cf3 h LEU 605 Ca -0.00 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3cf3 h LEU 605 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3cf3 h LEU 605 CO 0.01 1.40 0.08 0.74 0.09 0.00 0.00 178.44 180.75 3cf3 h THR 606 N 0.09 1.23 -0.12 0.22 2.02 -0.84 -0.04 112.91 115.47 3cf3 h THR 606 Ca -0.15 -0.82 -0.17 0.00 0.77 0.00 0.00 66.41 66.04 3cf3 h THR 606 Cb 1.98 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 3cf3 h THR 606 CO 0.21 0.28 -0.63 -0.33 0.37 0.00 0.00 175.52 175.42 3cf3 h GLU 607 N 0.48 0.46 0.00 6.66 4.39 -1.44 0.50 114.58 125.62 3cf3 h GLU 607 Ca 0.12 -0.33 -0.12 0.00 0.34 0.00 0.00 59.36 59.37 3cf3 h GLU 607 Cb 0.34 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3cf3 h GLU 607 CO 0.00 0.94 -0.58 1.98 -1.16 0.00 0.00 179.01 180.20 3cf3 h MET 608 N 0.34 0.00 0.08 2.33 4.05 -0.99 0.46 114.93 121.19 3cf3 h MET 608 Ca -0.01 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.25 3cf3 h MET 608 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 3cf3 h MET 608 CO 0.11 0.58 -0.79 -0.44 0.23 0.00 0.00 176.91 176.60 3cf3 h ASP 609 N 0.00 0.25 0.11 1.39 3.32 -0.87 -3.38 116.42 117.24 3cf3 h ASP 609 Ca -0.01 -0.88 -0.00 0.00 0.02 0.00 0.00 57.03 56.16 3cf3 h ASP 609 Cb 1.07 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3cf3 h ASP 609 CO 0.08 1.35 -0.12 1.23 -1.72 0.00 0.00 179.24 180.05 3cf3 h GLY 610 N -0.52 -0.90 -1.36 2.75 0.00 0.03 -3.44 103.07 99.63 3cf3 h GLY 610 Ca -0.17 0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 3cf3 h GLY 610 CO 0.04 -0.31 0.20 -0.13 0.00 0.00 0.00 176.54 176.33 3cf3 n MET 611 N -3.07 0.00 -1.71 4.80 0.00 0.15 -4.61 117.12 112.67 3cf3 n MET 611 Ca -0.03 0.00 -0.59 0.00 -0.00 0.00 0.00 57.70 57.08 3cf3 n MET 611 Cb 0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 33.22 32.96 3cf3 n MET 611 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3cf3 n SER 612 N 1.16 2.17 0.15 6.12 2.88 -1.26 -4.80 113.62 120.03 3cf3 n SER 612 Ca 0.09 1.07 0.18 0.00 -1.33 0.00 0.00 58.87 58.88 3cf3 n SER 612 Cb -0.01 -1.09 0.79 0.00 -0.75 0.00 0.00 64.21 63.14 3cf3 n SER 612 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cf3 h THR 613 N 5.28 0.45 -0.38 2.46 1.03 -1.89 -1.63 112.91 118.23 3cf3 h THR 613 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 3cf3 h THR 613 Cb 1.33 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 3cf3 h THR 613 CO 0.97 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.77 3cf3 n LYS 614 N -3.80 1.89 0.00 0.00 5.02 -1.26 -4.89 118.16 115.12 3cf3 n LYS 614 Ca 0.04 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 3cf3 n LYS 614 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 3cf3 n LYS 614 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf3 n LYS 615 N 0.63 1.89 -2.49 1.97 4.76 -0.62 -5.03 118.16 119.28 3cf3 n LYS 615 Ca 0.13 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 3cf3 n LYS 615 Cb 0.33 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.55 3cf3 n LYS 615 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3cf3 n ASN 616 N 0.00 3.09 -4.11 4.39 2.85 -1.26 -5.04 115.26 115.18 3cf3 n ASN 616 Ca 0.00 -2.90 -0.33 0.00 -0.11 0.00 0.00 54.58 51.24 3cf3 n ASN 616 Cb 0.00 -0.43 -0.15 0.00 1.24 0.00 0.00 39.78 40.43 3cf3 n ASN 616 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3cf3 s VAL 617 N -4.19 2.20 -0.22 3.44 1.01 -1.26 -2.44 120.40 118.93 3cf3 s VAL 617 Ca 0.38 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 3cf3 s VAL 617 Cb 0.38 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3cf3 s VAL 617 CO -0.02 0.28 0.06 0.12 0.00 0.00 0.00 175.10 175.54 3cf3 s PHE 618 N 1.22 3.13 -0.06 5.22 5.36 -0.25 -4.95 117.98 127.66 3cf3 s PHE 618 Ca -0.01 -0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 55.56 3cf3 s PHE 618 Cb -0.16 -2.17 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 3cf3 s PHE 618 CO -0.09 -0.17 0.45 0.42 -1.46 0.00 0.00 175.22 174.37 3cf3 s ILE 619 N 1.13 5.09 -0.16 3.12 1.01 -1.18 -1.80 121.20 128.41 3cf3 s ILE 619 Ca 0.04 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.59 3cf3 s ILE 619 Cb -0.14 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.60 3cf3 s ILE 619 CO 0.03 0.45 -0.05 -0.63 0.00 0.00 0.00 174.94 174.74 3cf3 s ILE 620 N -0.22 1.06 -0.17 2.92 1.01 -0.75 -1.17 121.20 123.88 3cf3 s ILE 620 Ca 0.25 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 3cf3 s ILE 620 Cb -0.16 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3cf3 s ILE 620 CO 0.12 0.13 -0.04 -0.83 0.00 0.00 0.00 174.94 174.32 3cf3 s GLY 621 N 1.66 1.69 0.10 6.18 0.00 -0.26 -0.31 107.32 116.37 3cf3 s GLY 621 Ca 0.01 -0.88 0.08 0.00 0.00 0.00 0.00 44.72 43.93 3cf3 s GLY 621 CO -0.08 0.02 -0.17 0.00 0.00 0.00 0.00 173.10 172.87 3cf3 s ALA 622 N 0.57 2.69 -0.27 3.20 0.00 -0.11 -0.68 121.76 127.16 3cf3 s ALA 622 Ca -0.03 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 3cf3 s ALA 622 Cb -0.14 -0.70 0.07 0.00 0.00 0.00 0.00 23.12 22.35 3cf3 s ALA 622 CO 0.03 0.59 0.70 -0.08 0.00 0.00 0.00 175.76 177.00 3cf3 s THR 623 N -1.10 -0.00 -0.40 0.00 -1.32 -0.85 -2.07 115.64 109.91 3cf3 s THR 623 Ca 0.17 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.72 3cf3 s THR 623 Cb -0.11 -0.99 0.70 0.00 -1.51 0.00 0.00 72.50 70.59 3cf3 s THR 623 CO 0.09 0.00 1.86 -0.46 -2.21 0.00 0.00 174.62 173.91 3cf3 n ASN 624 N 3.28 4.21 -2.72 8.08 2.04 -1.26 -3.08 115.26 125.81 3cf3 n ASN 624 Ca -0.16 -3.42 -0.08 0.00 -0.44 0.00 0.00 54.58 50.47 3cf3 n ASN 624 Cb 0.56 -0.80 0.10 0.00 -2.53 0.00 0.00 39.78 37.11 3cf3 n ASN 624 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3cf3 n ARG 625 N -0.70 1.14 -0.08 -3.83 5.12 -1.26 -4.87 116.66 112.18 3cf3 n ARG 625 Ca 0.51 -2.03 0.25 0.00 -1.93 0.00 0.00 57.85 54.65 3cf3 n ARG 625 Cb 1.55 -0.46 0.60 0.00 -1.16 0.00 0.00 32.46 32.99 3cf3 n ARG 625 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3cf3 h PRO 626 N 2.38 0.00 0.00 5.56 0.13 -1.95 -2.10 132.00 136.02 3cf3 h PRO 626 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3cf3 h PRO 626 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3cf3 h PRO 626 CO 0.05 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.42 3cf3 n ASP 627 N -3.48 0.00 0.00 1.44 5.75 -1.26 -3.06 116.55 115.93 3cf3 n ASP 627 Ca 0.16 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3cf3 n ASP 627 Cb 1.10 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.19 3cf3 n ASP 627 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3cf3 n ILE 628 N -0.71 0.09 -2.53 2.12 -5.35 -0.79 -5.06 119.36 107.13 3cf3 n ILE 628 Ca 0.05 -0.16 -0.36 0.00 -0.27 0.00 0.00 62.75 62.01 3cf3 n ILE 628 Cb 0.02 1.44 -0.04 0.00 -1.74 0.00 0.00 39.64 39.32 3cf3 n ILE 628 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3cf3 s ILE 629 N -0.09 3.70 -0.32 7.28 -1.09 -1.17 -4.87 121.20 124.63 3cf3 s ILE 629 Ca 0.00 1.25 -0.28 0.00 -2.23 0.00 0.00 60.65 59.39 3cf3 s ILE 629 Cb 0.00 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3cf3 s ILE 629 CO 0.00 -0.04 1.85 -0.62 -1.23 0.00 0.00 174.94 174.90 3cf3 s ASP 630 N -1.63 5.84 0.00 3.58 -1.08 -1.26 -4.83 116.67 117.29 3cf3 s ASP 630 Ca 0.60 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 3cf3 s ASP 630 Cb -0.21 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 3cf3 s ASP 630 CO 0.27 -1.74 0.30 -2.65 0.52 0.00 0.00 175.17 171.86 3cf3 n PRO 631 N 8.47 0.00 0.12 4.34 -0.02 -1.26 -1.64 135.00 145.01 3cf3 n PRO 631 Ca 0.24 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 3cf3 n PRO 631 Cb 0.47 -1.47 0.02 0.00 -0.02 0.00 0.00 33.50 32.49 3cf3 n PRO 631 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cf3 h ALA 632 N 1.23 0.69 0.00 3.55 0.00 -1.99 -3.22 119.26 119.52 3cf3 h ALA 632 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3cf3 h ALA 632 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3cf3 h ALA 632 CO 0.00 0.55 0.00 -0.89 0.00 0.00 0.00 179.25 178.91 3cf3 n ILE 633 N -3.08 0.26 1.04 0.00 5.41 -0.65 -2.70 119.36 119.64 3cf3 n ILE 633 Ca -0.01 0.01 0.11 0.00 1.00 0.00 0.00 62.75 63.87 3cf3 n ILE 633 Cb 0.71 -0.61 0.07 0.00 -0.71 0.00 0.00 39.64 39.10 3cf3 n ILE 633 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3cf3 n LEU 634 N -1.62 2.08 -4.74 1.39 4.77 -1.22 -1.14 117.00 116.53 3cf3 n LEU 634 Ca 0.06 -0.74 -0.34 0.00 -0.03 0.00 0.00 56.01 54.96 3cf3 n LEU 634 Cb 0.32 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.48 3cf3 n LEU 634 CO 0.25 0.38 0.78 -0.13 -1.33 0.00 0.00 177.39 177.33 3cf3 s ARG 635 N -2.38 2.36 0.75 3.23 0.52 -1.10 -4.47 118.95 117.85 3cf3 s ARG 635 Ca 0.21 1.63 -0.13 0.00 -0.52 0.00 0.00 55.73 56.92 3cf3 s ARG 635 Cb 0.19 -1.87 0.05 0.00 0.52 0.00 0.00 34.95 33.83 3cf3 s ARG 635 CO 0.51 -1.64 1.15 -2.14 0.02 0.00 0.00 175.30 173.21 3cf3 s PRO 636 N -3.97 2.13 0.00 3.54 0.02 -1.26 -2.61 135.00 132.84 3cf3 s PRO 636 Ca 0.72 1.54 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3cf3 s PRO 636 Cb -0.26 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.41 3cf3 s PRO 636 CO 0.44 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 3cf3 n GLY 637 N -0.11 2.61 0.00 0.52 0.00 -1.26 -4.89 105.19 102.06 3cf3 n GLY 637 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3cf3 n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf3 n ARG 638 N -2.00 0.00 -3.02 1.61 1.74 -1.07 -4.74 116.66 109.18 3cf3 n ARG 638 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 3cf3 n ARG 638 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf3 n ARG 638 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3cf3 n LEU 639 N 0.00 6.05 0.21 0.55 4.77 -0.29 -3.17 117.00 125.11 3cf3 n LEU 639 Ca 0.00 -5.01 -0.12 0.00 -0.03 0.00 0.00 56.01 50.86 3cf3 n LEU 639 Cb 0.00 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 39.62 3cf3 n LEU 639 CO 0.00 1.44 0.52 0.44 -1.33 0.00 0.00 177.39 178.46 3cf3 h ASP 640 N 6.04 -0.86 -2.89 -1.43 5.19 -1.71 -3.39 116.42 117.37 3cf3 h ASP 640 Ca 0.23 0.06 -0.53 0.00 -0.62 0.00 0.00 57.03 56.18 3cf3 h ASP 640 Cb 0.73 0.28 0.03 0.00 0.18 0.00 0.00 39.33 40.54 3cf3 h ASP 640 CO 1.26 -0.44 0.82 -1.10 -3.12 0.00 0.00 179.24 176.67 3cf3 s GLN 641 N -4.80 4.27 -0.22 3.56 -1.52 -1.25 -4.97 119.66 114.72 3cf3 s GLN 641 Ca -0.11 2.19 0.00 0.00 -1.95 0.00 0.00 55.36 55.49 3cf3 s GLN 641 Cb 0.02 -3.30 0.03 0.00 -0.22 0.00 0.00 33.01 29.54 3cf3 s GLN 641 CO 0.38 -0.55 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.24 3cf3 s LEU 642 N 1.47 2.85 -0.14 2.90 2.01 -1.26 -1.52 118.68 124.98 3cf3 s LEU 642 Ca 0.68 -0.88 0.01 0.00 0.01 0.00 0.00 54.13 53.94 3cf3 s LEU 642 Cb -0.39 -1.58 -0.00 0.00 0.01 0.00 0.00 46.19 44.23 3cf3 s LEU 642 CO 0.30 -0.09 -0.16 -0.63 1.01 0.00 0.00 176.35 176.78 3cf3 s ILE 643 N 1.27 2.62 -0.13 -0.59 1.01 -1.12 -5.00 121.20 119.27 3cf3 s ILE 643 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 3cf3 s ILE 643 Cb -0.16 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3cf3 s ILE 643 CO -0.08 0.52 0.38 -0.47 0.00 0.00 0.00 174.94 175.30 3cf3 s TYR 644 N 0.68 3.50 -0.44 3.97 5.04 -1.26 -2.08 117.35 126.76 3cf3 s TYR 644 Ca -0.08 0.75 0.02 0.00 -2.44 0.00 0.00 57.07 55.32 3cf3 s TYR 644 Cb -0.16 -2.43 0.12 0.00 0.35 0.00 0.00 41.96 39.84 3cf3 s TYR 644 CO 0.02 0.23 0.18 0.42 -1.34 0.00 0.00 175.55 175.07 3cf3 s ILE 645 N 0.43 2.70 0.86 3.14 1.09 0.09 -4.96 121.20 124.56 3cf3 s ILE 645 Ca 0.21 -2.68 -0.12 0.00 -1.10 0.00 0.00 60.65 56.97 3cf3 s ILE 645 Cb -0.14 -2.90 0.11 0.00 -1.06 0.00 0.00 42.46 38.47 3cf3 s ILE 645 CO 0.07 -0.71 1.14 -2.16 -0.10 0.00 0.00 174.94 173.18 3cf3 s PRO 646 N 0.46 1.57 1.14 2.79 0.04 -1.26 -3.95 135.00 135.79 3cf3 s PRO 646 Ca 0.13 0.32 -0.13 0.00 0.04 0.00 0.00 61.00 61.36 3cf3 s PRO 646 Cb -0.22 -1.89 0.27 0.00 0.04 0.00 0.00 34.50 32.71 3cf3 s PRO 646 CO -0.04 -1.90 1.04 -0.51 0.04 0.00 0.00 177.00 175.62 3cf3 s LEU 647 N -5.85 0.93 0.34 -3.56 1.02 -1.26 -4.95 118.68 105.34 3cf3 s LEU 647 Ca 0.63 1.47 -0.27 0.00 0.02 0.00 0.00 54.13 55.98 3cf3 s LEU 647 Cb -0.14 -3.41 -0.09 0.00 0.02 0.00 0.00 46.19 42.57 3cf3 s LEU 647 CO 0.52 -4.07 1.07 -2.16 0.02 0.00 0.00 176.35 171.74 3cf3 s PRO 648 N -4.54 4.41 0.52 1.29 0.04 -1.24 -5.07 135.00 130.41 3cf3 s PRO 648 Ca 0.68 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 3cf3 s PRO 648 Cb -0.24 -2.89 0.11 0.00 0.04 0.00 0.00 34.50 31.52 3cf3 s PRO 648 CO 0.64 0.05 0.71 -0.40 0.04 0.00 0.00 177.00 178.03 3cf3 n ASP 649 N 0.60 0.58 -0.28 6.66 5.75 -1.26 -4.76 116.55 123.84 3cf3 n ASP 649 Ca 0.02 -1.58 0.06 0.00 -0.01 0.00 0.00 54.79 53.28 3cf3 n ASP 649 Cb 0.47 -0.49 0.28 0.00 -1.03 0.00 0.00 41.12 40.35 3cf3 n ASP 649 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3cf3 h GLU 650 N 0.00 0.91 0.27 0.11 3.07 -1.94 -0.87 114.58 116.13 3cf3 h GLU 650 Ca -0.23 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 3cf3 h GLU 650 Cb 0.77 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 3cf3 h GLU 650 CO 0.21 0.60 -0.13 0.87 -1.40 0.00 0.00 179.01 179.16 3cf3 h LYS 651 N 0.93 -0.35 -0.83 2.33 1.57 -1.93 -3.25 116.57 115.04 3cf3 h LYS 651 Ca 0.39 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.35 3cf3 h LYS 651 Cb 0.31 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.60 3cf3 h LYS 651 CO -0.16 -0.03 0.40 0.77 -0.57 0.00 0.00 179.45 179.86 3cf3 h SER 652 N -0.96 0.45 -0.99 0.86 0.02 -1.88 -1.24 113.55 109.81 3cf3 h SER 652 Ca -0.04 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.12 3cf3 h SER 652 Cb 0.48 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.98 3cf3 h SER 652 CO 0.06 0.17 0.62 0.03 -1.14 0.00 0.00 176.83 176.57 3cf3 h ARG 653 N 0.56 0.99 -0.57 3.45 3.08 -1.25 0.25 114.38 120.88 3cf3 h ARG 653 Ca 0.46 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.38 3cf3 h ARG 653 Cb 0.69 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3cf3 h ARG 653 CO -0.39 0.65 0.09 0.28 -1.07 0.00 0.00 179.97 179.53 3cf3 h VAL 654 N 1.01 1.26 0.00 2.04 2.07 -1.26 -2.40 116.25 118.97 3cf3 h VAL 654 Ca 0.48 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 3cf3 h VAL 654 Cb 0.41 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3cf3 h VAL 654 CO -0.25 0.36 -0.52 0.00 0.02 0.00 0.00 177.57 177.18 3cf3 h ALA 655 N 1.00 0.87 -0.13 1.67 0.00 -1.08 -3.02 119.26 118.56 3cf3 h ALA 655 Ca 0.17 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3cf3 h ALA 655 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3cf3 h ALA 655 CO 0.01 0.65 -0.09 0.82 0.00 0.00 0.00 179.25 180.65 3cf3 h ILE 656 N 0.00 1.33 -0.22 0.00 2.04 -0.32 -0.25 117.51 120.09 3cf3 h ILE 656 Ca -0.01 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.73 3cf3 h ILE 656 Cb 1.12 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.97 3cf3 h ILE 656 CO 0.07 0.34 -0.10 -0.07 0.00 0.00 0.00 178.15 178.39 3cf3 h LEU 657 N -0.07 -0.34 -0.86 1.44 3.38 -1.44 0.74 115.31 118.15 3cf3 h LEU 657 Ca 0.03 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3cf3 h LEU 657 Cb 0.58 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3cf3 h LEU 657 CO 0.02 -0.13 0.56 0.11 0.09 0.00 0.00 178.44 179.09 3cf3 h LYS 658 N -0.07 1.06 0.00 1.13 1.57 -1.47 -0.87 116.57 117.91 3cf3 h LYS 658 Ca 0.12 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3cf3 h LYS 658 Cb 0.25 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3cf3 h LYS 658 CO -0.27 0.70 -0.24 0.00 -0.57 0.00 0.00 179.45 179.07 3cf3 h ALA 659 N 1.35 1.28 -0.53 3.86 0.00 -0.04 -0.07 119.26 125.11 3cf3 h ALA 659 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cf3 h ALA 659 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3cf3 h ALA 659 CO -0.11 0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.53 3cf3 n ASN 660 N -3.78 3.56 0.00 0.00 4.13 0.16 -4.14 115.26 115.19 3cf3 n ASN 660 Ca -0.01 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.27 3cf3 n ASN 660 Cb 0.34 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3cf3 n ASN 660 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3cf3 n LEU 661 N 1.39 0.50 -0.24 3.41 4.77 -0.40 -4.85 117.00 121.59 3cf3 n LEU 661 Ca 0.20 -0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 55.60 3cf3 n LEU 661 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3cf3 n LEU 661 CO 0.15 0.13 0.57 0.03 -1.33 0.00 0.00 177.39 176.93 3cf3 h ARG 662 N 0.00 -0.17 -2.01 3.23 3.08 -1.17 -1.15 114.38 116.19 3cf3 h ARG 662 Ca 0.00 0.01 -0.64 0.00 0.07 0.00 0.00 59.98 59.43 3cf3 h ARG 662 Cb 0.27 0.04 -0.22 0.00 0.08 0.00 0.00 29.97 30.14 3cf3 h ARG 662 CO 0.00 -0.11 0.75 1.63 -1.07 0.00 0.00 179.97 181.16 3cf3 n LYS 663 N -5.40 2.63 -4.08 0.04 5.02 -1.26 -4.94 118.16 110.17 3cf3 n LYS 663 Ca 0.03 -2.95 -0.08 0.00 -2.02 0.00 0.00 58.31 53.29 3cf3 n LYS 663 Cb 0.35 -2.21 -0.10 0.00 -0.02 0.00 0.00 35.03 33.05 3cf3 n LYS 663 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3cf3 s SER 664 N -0.35 0.41 -0.02 4.39 0.01 -0.44 -5.07 113.70 112.64 3cf3 s SER 664 Ca 0.55 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 3cf3 s SER 664 Cb 0.41 0.24 -0.14 0.00 0.21 0.00 0.00 66.02 66.74 3cf3 s SER 664 CO -0.31 -0.65 2.12 -2.65 0.41 0.00 0.00 173.24 172.15 3cf3 n PRO 665 N 0.04 1.05 -1.65 12.44 -0.02 -1.26 -4.94 135.00 140.66 3cf3 n PRO 665 Ca -0.12 -0.54 -0.46 0.00 -2.02 0.00 0.00 63.50 60.36 3cf3 n PRO 665 Cb 0.62 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 3cf3 n PRO 665 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3cf3 n VAL 666 N 2.78 0.59 -1.25 -1.45 0.24 -1.26 -1.81 118.33 116.17 3cf3 n VAL 666 Ca 0.23 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.34 62.06 3cf3 n VAL 666 Cb 0.47 -2.07 0.14 0.00 -1.47 0.00 0.00 33.84 30.91 3cf3 n VAL 666 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf3 s ALA 667 N 4.93 1.47 -0.11 2.33 0.00 0.33 -4.92 121.76 125.79 3cf3 s ALA 667 Ca 0.94 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 3cf3 s ALA 667 Cb -0.59 -3.15 -0.25 0.00 0.00 0.00 0.00 23.12 19.13 3cf3 s ALA 667 CO 0.47 -2.42 0.88 0.87 0.00 0.00 0.00 175.76 175.56 3cf3 h LYS 668 N -1.59 0.02 0.00 0.00 1.57 -1.93 -3.32 116.57 111.32 3cf3 h LYS 668 Ca -0.51 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3cf3 h LYS 668 Cb 1.30 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3cf3 h LYS 668 CO 0.56 0.91 0.06 0.38 -0.57 0.00 0.00 179.45 180.79 3cf3 h ASP 669 N -0.86 0.00 -2.83 0.86 2.03 -1.96 -3.43 116.42 110.22 3cf3 h ASP 669 Ca -0.01 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 3cf3 h ASP 669 Cb 0.92 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.46 3cf3 h ASP 669 CO 0.01 0.00 0.88 -0.69 -1.03 0.00 0.00 179.24 178.40 3cf3 s VAL 670 N -3.68 2.93 -0.29 4.15 1.01 -1.25 -4.92 120.40 118.36 3cf3 s VAL 670 Ca -0.03 0.59 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 3cf3 s VAL 670 Cb 0.07 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3cf3 s VAL 670 CO 0.24 0.03 0.19 -0.62 0.00 0.00 0.00 175.10 174.93 3cf3 s ASP 671 N 1.51 5.93 -0.19 3.32 -1.08 -1.26 -4.98 116.67 119.92 3cf3 s ASP 671 Ca 0.70 -0.11 -0.19 0.00 -0.52 0.00 0.00 52.55 52.43 3cf3 s ASP 671 Cb -0.41 -2.10 -0.15 0.00 -1.46 0.00 0.00 42.92 38.80 3cf3 s ASP 671 CO 0.31 -0.08 0.13 -0.07 0.52 0.00 0.00 175.17 175.98 3cf3 h LEU 672 N 8.38 0.00 -1.94 -1.34 3.38 -1.97 -3.34 115.31 118.47 3cf3 h LEU 672 Ca -0.35 -0.40 0.27 0.00 0.09 0.00 0.00 57.88 57.50 3cf3 h LEU 672 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 3cf3 h LEU 672 CO 0.57 1.30 0.72 -0.33 0.09 0.00 0.00 178.44 180.79 3cf3 h GLU 673 N -1.00 0.00 0.35 1.13 3.07 -1.93 -1.01 114.58 115.18 3cf3 h GLU 673 Ca -0.26 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.58 3cf3 h GLU 673 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3cf3 h GLU 673 CO -0.16 0.00 -0.17 0.35 -1.40 0.00 0.00 179.01 177.64 3cf3 h PHE 674 N 0.00 -0.43 -0.00 4.33 3.57 -2.00 -3.00 116.94 119.41 3cf3 h PHE 674 Ca 0.44 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.93 3cf3 h PHE 674 Cb 1.88 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.76 3cf3 h PHE 674 CO 0.00 -0.13 0.00 -0.07 -2.23 0.00 0.00 178.31 175.88 3cf3 h LEU 675 N -0.73 0.00 -2.67 0.59 3.38 -1.32 0.62 115.31 115.17 3cf3 h LEU 675 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cf3 h LEU 675 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3cf3 h LEU 675 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3cf3 h ALA 676 N 2.00 1.00 -0.00 1.53 0.00 -1.28 0.31 119.26 122.81 3cf3 h ALA 676 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3cf3 h ALA 676 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cf3 h ALA 676 CO -0.00 0.00 -0.68 1.63 0.00 0.00 0.00 179.25 180.20 3cf3 n LYS 677 N -2.93 1.40 0.05 0.00 4.76 0.18 -4.30 118.16 117.32 3cf3 n LYS 677 Ca -0.03 -0.26 -0.20 0.00 -2.87 0.00 0.00 58.31 54.96 3cf3 n LYS 677 Cb 0.07 -1.32 -0.14 0.00 -1.84 0.00 0.00 35.03 31.80 3cf3 n LYS 677 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 3cf3 h MET 678 N 0.59 0.31 -6.05 1.97 2.86 -0.10 -3.46 114.93 111.05 3cf3 h MET 678 Ca 0.00 -0.52 -0.63 0.00 -2.06 0.00 0.00 59.70 56.49 3cf3 h MET 678 Cb 0.47 0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.26 3cf3 h MET 678 CO 0.00 1.19 -0.55 0.95 1.06 0.00 0.00 176.91 179.56 3cf3 s THR 679 N -2.59 4.97 0.00 2.22 -4.23 -0.30 -5.01 115.64 110.70 3cf3 s THR 679 Ca -0.14 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3cf3 s THR 679 Cb 0.06 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.48 3cf3 s THR 679 CO 0.84 0.12 0.00 -3.20 -0.54 0.00 0.00 174.62 171.84 3cf3 n ASN 680 N 0.33 0.00 -1.10 3.99 5.15 -1.26 -4.83 115.26 117.53 3cf3 n ASN 680 Ca -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 3cf3 n ASN 680 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 3cf3 n ASN 680 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cf3 n GLY 681 N 1.71 0.84 3.94 8.20 0.00 -1.26 -4.79 105.19 113.83 3cf3 n GLY 681 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3cf3 n GLY 681 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cf3 s PHE 682 N 0.69 3.48 0.32 1.61 2.99 -1.26 -4.25 117.98 121.57 3cf3 s PHE 682 Ca 0.00 0.21 0.10 0.00 0.00 0.00 0.00 56.93 57.25 3cf3 s PHE 682 Cb 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 43.02 41.21 3cf3 s PHE 682 CO 0.00 0.45 -0.11 -1.54 -0.00 0.00 0.00 175.22 174.02 3cf3 s SER 683 N -3.23 3.78 0.34 1.36 1.04 -1.26 -3.71 113.70 112.03 3cf3 s SER 683 Ca 0.36 -1.11 0.15 0.00 0.48 0.00 0.00 55.95 55.83 3cf3 s SER 683 Cb -0.11 -0.38 1.12 0.00 0.10 0.00 0.00 66.02 66.75 3cf3 s SER 683 CO 0.29 -0.14 1.62 1.23 0.98 0.00 0.00 173.24 177.22 3cf3 h GLY 684 N 2.05 2.00 1.00 7.32 0.00 -1.22 0.21 103.07 114.44 3cf3 h GLY 684 Ca -0.42 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3cf3 h GLY 684 CO 0.67 -0.60 0.29 0.00 0.00 0.00 0.00 176.54 176.90 3cf3 h ALA 685 N 1.91 0.57 0.34 3.60 0.00 -1.68 -1.07 119.26 122.92 3cf3 h ALA 685 Ca 0.75 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.60 3cf3 h ALA 685 Cb 1.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3cf3 h ALA 685 CO -0.70 0.03 -0.16 -0.44 0.00 0.00 0.00 179.25 177.98 3cf3 h ASP 686 N 0.60 -0.38 -0.64 0.00 3.32 -0.88 -0.86 116.42 117.58 3cf3 h ASP 686 Ca 0.16 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.29 3cf3 h ASP 686 Cb -0.05 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 3cf3 h ASP 686 CO -0.03 -0.23 0.24 -0.07 -1.72 0.00 0.00 179.24 177.43 3cf3 h LEU 687 N -0.51 0.24 -0.95 1.55 3.38 -1.31 -0.21 115.31 117.51 3cf3 h LEU 687 Ca -0.05 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3cf3 h LEU 687 Cb 0.38 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3cf3 h LEU 687 CO 0.08 0.13 0.61 0.74 0.09 0.00 0.00 178.44 180.09 3cf3 h THR 688 N 0.42 1.09 -0.00 0.22 2.02 -0.88 -1.89 112.91 113.88 3cf3 h THR 688 Ca 0.33 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3cf3 h THR 688 Cb 0.42 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3cf3 h THR 688 CO -0.32 0.20 -0.05 -0.08 0.37 0.00 0.00 175.52 175.64 3cf3 h GLU 689 N 1.12 -0.09 -0.47 6.66 4.57 0.40 -1.68 114.58 125.09 3cf3 h GLU 689 Ca 0.40 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.69 3cf3 h GLU 689 Cb 0.13 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3cf3 h GLU 689 CO -0.16 -0.06 0.32 0.82 -1.18 0.00 0.00 179.01 178.75 3cf3 h ILE 690 N -0.09 0.85 0.15 2.32 2.04 -0.69 -2.35 117.51 119.73 3cf3 h ILE 690 Ca 0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3cf3 h ILE 690 Cb 0.12 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3cf3 h ILE 690 CO -0.06 0.03 -0.07 0.00 0.00 0.00 0.00 178.15 178.05 3cf3 h GLN 692 N -0.24 0.34 -0.34 0.00 4.20 -1.31 0.60 115.11 118.35 3cf3 h GLN 692 Ca -0.02 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.73 3cf3 h GLN 692 Cb 0.15 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3cf3 h GLN 692 CO 0.03 0.22 0.24 0.00 -0.67 0.00 0.00 178.83 178.65 3cf3 h ARG 693 N 0.35 0.18 -0.19 1.46 3.08 -1.41 0.99 114.38 118.84 3cf3 h ARG 693 Ca 0.70 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.57 3cf3 h ARG 693 Cb 1.71 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3cf3 h ARG 693 CO -0.47 0.12 -0.55 0.00 -1.07 0.00 0.00 179.97 178.00 3cf3 h ALA 694 N 1.82 0.32 -0.21 0.04 0.00 0.36 -3.19 119.26 118.40 3cf3 h ALA 694 Ca 0.16 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3cf3 h ALA 694 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3cf3 h ALA 694 CO -0.02 0.53 -0.41 0.00 0.00 0.00 0.00 179.25 179.35 3cf3 n LYS 696 N -4.03 0.44 -0.10 0.00 5.02 0.32 -1.15 118.16 118.66 3cf3 n LYS 696 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 3cf3 n LYS 696 Cb 0.51 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 3cf3 n LYS 696 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cf3 n LEU 697 N -0.99 2.50 -0.21 -0.35 4.77 -0.92 -4.01 117.00 117.78 3cf3 n LEU 697 Ca 0.10 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 3cf3 n LEU 697 Cb 0.05 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.52 3cf3 n LEU 697 CO 0.08 0.70 1.02 0.00 -1.33 0.00 0.00 177.39 177.86 3cf3 h ALA 698 N -0.23 0.77 0.00 -1.18 0.00 -0.67 -1.09 119.26 116.85 3cf3 h ALA 698 Ca -0.46 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 3cf3 h ALA 698 Cb 1.60 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3cf3 h ALA 698 CO -0.15 0.34 -0.37 0.82 0.00 0.00 0.00 179.25 179.90 3cf3 h ILE 699 N 0.82 0.78 0.00 0.00 2.04 -1.39 -1.71 117.51 118.05 3cf3 h ILE 699 Ca 0.21 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3cf3 h ILE 699 Cb 0.12 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3cf3 h ILE 699 CO -0.03 0.36 0.00 -1.14 0.00 0.00 0.00 178.15 177.35 3cf3 n ARG 700 N -3.40 0.06 0.00 2.37 0.63 -0.73 -2.95 116.66 112.64 3cf3 n ARG 700 Ca 0.01 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 3cf3 n ARG 700 Cb 0.55 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.88 3cf3 n ARG 700 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3cf3 n GLU 701 N -1.68 0.00 0.27 -0.14 -0.58 -0.49 -3.75 120.64 114.26 3cf3 n GLU 701 Ca 0.05 0.12 0.08 0.00 -0.42 0.00 0.00 57.16 56.99 3cf3 n GLU 701 Cb 0.28 -0.50 0.45 0.00 -0.57 0.00 0.00 31.44 31.09 3cf3 n GLU 701 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3cf3 h SER 702 N 0.00 0.00 1.18 1.62 4.64 -1.57 2.26 113.55 121.69 3cf3 h SER 702 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3cf3 h SER 702 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3cf3 h SER 702 CO 0.00 0.00 -0.84 0.40 -0.87 0.00 0.00 176.83 175.52 3cf3 h ILE 703 N 0.00 0.18 0.00 0.95 2.04 -1.73 -3.35 117.51 115.59 3cf3 h ILE 703 Ca 0.00 -1.31 -0.25 0.00 1.00 0.00 0.00 64.86 64.30 3cf3 h ILE 703 Cb 0.97 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 3cf3 h ILE 703 CO 0.00 0.10 -1.65 1.21 0.00 0.00 0.00 178.15 177.82 3cf3 n GLU 704 N -2.85 0.63 0.10 2.37 2.13 0.76 -4.05 120.64 119.72 3cf3 n GLU 704 Ca -0.01 0.25 -0.05 0.00 0.66 0.00 0.00 57.16 58.02 3cf3 n GLU 704 Cb 0.62 -1.78 -0.02 0.00 0.27 0.00 0.00 31.44 30.53 3cf3 n GLU 704 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3cf3 h SER 705 N 0.00 -0.25 -0.66 4.31 4.64 -1.57 -3.35 113.55 116.68 3cf3 h SER 705 Ca -0.25 0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 3cf3 h SER 705 Cb 1.87 0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 63.94 3cf3 h SER 705 CO 0.06 0.03 -0.39 -0.62 -0.87 0.00 0.00 176.83 175.04 3cf3 n GLU 706 N -3.94 -0.29 0.00 4.77 1.02 -1.26 -5.14 120.64 115.81 3cf3 n GLU 706 Ca -0.04 1.28 0.01 0.00 -0.02 0.00 0.00 57.16 58.40 3cf3 n GLU 706 Cb 0.12 -1.89 0.08 0.00 -0.02 0.00 0.00 31.44 29.73 3cf3 n GLU 706 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3cf3 n ILE 707 N -4.50 0.28 0.00 -3.67 2.08 -1.26 -5.16 119.36 107.13 3cf3 n ILE 707 Ca 0.01 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.39 3cf3 n ILE 707 Cb 0.17 -1.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.03 3cf3 n ILE 707 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3cf3 n VAL 728 N -1.08 0.00 -3.35 1.39 0.31 -1.26 -5.06 118.33 109.28 3cf3 n VAL 728 Ca 0.02 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.89 3cf3 n VAL 728 Cb 0.01 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.90 3cf3 n VAL 728 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3cf3 s PRO 729 N -0.28 3.17 -0.26 5.55 0.04 -1.26 -4.90 135.00 137.07 3cf3 s PRO 729 Ca 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 61.00 58.98 3cf3 s PRO 729 Cb 0.00 -4.30 0.15 0.00 0.04 0.00 0.00 34.50 30.39 3cf3 s PRO 729 CO 0.00 -1.30 0.42 -1.21 0.04 0.00 0.00 177.00 174.95 3cf3 s GLU 730 N 0.96 0.39 -0.29 4.56 8.01 -1.26 -5.04 118.70 126.04 3cf3 s GLU 730 Ca 0.10 0.57 -0.37 0.00 0.01 0.00 0.00 54.97 55.27 3cf3 s GLU 730 Cb -0.22 -0.29 -0.13 0.00 -4.31 0.00 0.00 34.13 29.18 3cf3 s GLU 730 CO -0.02 -0.68 1.99 1.51 0.01 0.00 0.00 175.26 178.06 3cf3 n ILE 731 N 5.37 0.29 -3.26 -1.63 3.06 -0.75 -4.75 119.36 117.70 3cf3 n ILE 731 Ca -0.03 -0.16 -0.02 0.00 -2.50 0.00 0.00 62.75 60.05 3cf3 n ILE 731 Cb 0.50 -1.51 0.00 0.00 0.54 0.00 0.00 39.64 39.17 3cf3 n ILE 731 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 3cf3 n ARG 732 N 6.99 1.21 0.02 9.51 1.85 -1.26 -0.51 116.66 134.47 3cf3 n ARG 732 Ca 0.34 -0.23 -0.13 0.00 -1.00 0.00 0.00 57.85 56.83 3cf3 n ARG 732 Cb 0.20 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.52 3cf3 n ARG 732 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 3cf3 h ARG 733 N 0.00 -0.08 0.00 2.89 2.43 -1.92 -3.18 114.38 114.51 3cf3 h ARG 733 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3cf3 h ARG 733 Cb 0.09 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3cf3 h ARG 733 CO 0.03 0.33 0.20 -0.40 -1.51 0.00 0.00 179.97 178.63 3cf3 n ASP 734 N -4.93 0.15 -0.02 -3.80 5.75 -1.26 -1.43 116.55 111.01 3cf3 n ASP 734 Ca -0.08 0.43 -0.07 0.00 -0.01 0.00 0.00 54.79 55.06 3cf3 n ASP 734 Cb 0.24 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 3cf3 n ASP 734 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3cf3 h HIS 735 N 0.00 -0.07 0.00 2.11 3.86 -1.92 -3.20 115.15 115.93 3cf3 h HIS 735 Ca 0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3cf3 h HIS 735 Cb 0.40 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3cf3 h HIS 735 CO 0.00 0.33 -0.04 0.74 0.86 0.00 0.00 177.93 179.82 3cf3 h PHE 736 N -0.98 -0.10 -0.13 2.45 0.04 -1.37 0.16 116.94 117.01 3cf3 h PHE 736 Ca -0.01 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.80 3cf3 h PHE 736 Cb 0.43 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3cf3 h PHE 736 CO 0.10 -0.07 0.15 0.93 -0.60 0.00 0.00 178.31 178.83 3cf3 h GLU 737 N -0.07 0.00 0.00 1.51 5.08 -1.66 0.92 114.58 120.35 3cf3 h GLU 737 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3cf3 h GLU 737 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3cf3 h GLU 737 CO -0.04 0.00 -0.86 1.49 -1.00 0.00 0.00 179.01 178.59 3cf3 h GLU 738 N 0.00 0.00 -0.00 2.33 4.22 -1.35 -3.27 114.58 116.50 3cf3 h GLU 738 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 3cf3 h GLU 738 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3cf3 h GLU 738 CO -0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 179.01 176.63 3cf3 n ALA 739 N -2.03 2.94 0.64 2.92 0.00 0.30 -3.09 120.51 122.18 3cf3 n ALA 739 Ca 0.01 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.27 3cf3 n ALA 739 Cb 0.50 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 19.01 3cf3 n ALA 739 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3cf3 n MET 740 N -0.98 0.25 0.19 0.00 2.81 -0.20 -3.81 117.12 115.36 3cf3 n MET 740 Ca 0.12 0.14 -0.14 0.00 -1.81 0.00 0.00 57.70 56.00 3cf3 n MET 740 Cb 0.31 -1.72 -0.07 0.00 -0.71 0.00 0.00 33.22 31.03 3cf3 n MET 740 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3cf3 h ARG 741 N 0.00 -0.53 -1.44 0.03 2.47 -1.72 -2.51 114.38 110.68 3cf3 h ARG 741 Ca 0.00 0.04 -0.49 0.00 -1.26 0.00 0.00 59.98 58.26 3cf3 h ARG 741 Cb 0.72 0.12 -0.20 0.00 -1.65 0.00 0.00 29.97 28.95 3cf3 h ARG 741 CO 0.00 -0.35 0.61 1.19 0.56 0.00 0.00 179.97 181.98 3cf3 n PHE 742 N -5.37 2.20 -3.06 3.04 3.01 -1.25 -4.95 117.46 111.08 3cf3 n PHE 742 Ca -0.09 -2.34 -0.40 0.00 1.01 0.00 0.00 57.45 55.63 3cf3 n PHE 742 Cb 0.28 -1.19 -0.05 0.00 -0.01 0.00 0.00 39.48 38.51 3cf3 n PHE 742 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cf3 s ALA 743 N -2.61 3.42 0.00 4.37 0.00 -0.95 -4.98 121.76 121.01 3cf3 s ALA 743 Ca 0.47 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3cf3 s ALA 743 Cb 0.36 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3cf3 s ALA 743 CO -0.06 -0.27 0.00 0.54 0.00 0.00 0.00 175.76 175.96 3cf3 n ARG 744 N 4.26 2.23 -2.90 0.00 5.12 -1.26 -5.10 116.66 119.00 3cf3 n ARG 744 Ca -0.01 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 3cf3 n ARG 744 Cb 0.51 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.80 3cf3 n ARG 744 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3cf3 n ARG 745 N -0.36 0.56 -0.33 5.56 1.74 -1.26 -4.93 116.66 117.64 3cf3 n ARG 745 Ca 0.00 -2.26 0.16 0.00 -0.77 0.00 0.00 57.85 54.99 3cf3 n ARG 745 Cb 0.00 -1.48 0.32 0.00 -1.02 0.00 0.00 32.46 30.28 3cf3 n ARG 745 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3cf3 h SER 746 N 4.74 -0.31 -3.26 0.55 4.64 -1.98 -3.34 113.55 114.59 3cf3 h SER 746 Ca 0.04 0.26 -0.62 0.00 -0.47 0.00 0.00 61.79 61.00 3cf3 h SER 746 Cb 1.03 0.42 -0.13 0.00 -0.31 0.00 0.00 62.40 63.42 3cf3 h SER 746 CO 0.20 -0.33 0.48 -0.69 -0.87 0.00 0.00 176.83 175.62 3cf3 s VAL 747 N -5.94 4.48 0.30 0.95 1.01 -1.26 -5.03 120.40 114.91 3cf3 s VAL 747 Ca -0.12 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 3cf3 s VAL 747 Cb 0.29 -4.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3cf3 s VAL 747 CO 0.78 -1.03 0.98 -0.94 0.00 0.00 0.00 175.10 174.89 3cf3 s SER 748 N 2.74 7.33 0.53 3.32 1.04 -1.25 -4.85 113.70 122.56 3cf3 s SER 748 Ca 0.29 1.96 0.30 0.00 0.48 0.00 0.00 55.95 58.98 3cf3 s SER 748 Cb -0.13 -2.60 1.44 0.00 0.10 0.00 0.00 66.02 64.84 3cf3 s SER 748 CO 0.19 -0.07 1.90 0.44 0.98 0.00 0.00 173.24 176.67 3cf3 h ASP 749 N 3.45 0.03 0.78 7.02 5.19 -1.96 0.39 116.42 131.32 3cf3 h ASP 749 Ca -0.46 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.91 3cf3 h ASP 749 Cb 1.20 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.72 3cf3 h ASP 749 CO 0.66 0.01 -0.38 0.78 -3.12 0.00 0.00 179.24 177.19 3cf3 h ASN 750 N 0.03 -0.89 -0.85 6.45 2.35 -2.00 -1.68 115.58 118.99 3cf3 h ASN 750 Ca 0.41 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 56.30 3cf3 h ASN 750 Cb 1.60 0.23 -0.08 0.00 0.05 0.00 0.00 38.32 40.12 3cf3 h ASN 750 CO -0.02 -0.63 0.48 0.44 -1.65 0.00 0.00 177.43 176.05 3cf3 h ASP 751 N -1.07 0.66 -0.91 5.81 3.32 -1.61 -0.73 116.42 121.90 3cf3 h ASP 751 Ca -0.11 0.06 0.14 0.00 0.02 0.00 0.00 57.03 57.14 3cf3 h ASP 751 Cb 0.81 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.14 3cf3 h ASP 751 CO 0.18 0.35 -0.38 0.40 -1.72 0.00 0.00 179.24 178.07 3cf3 h ILE 752 N 0.76 0.04 -0.26 0.35 2.04 0.17 0.53 117.51 121.15 3cf3 h ILE 752 Ca 0.42 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 66.16 3cf3 h ILE 752 Cb 0.45 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3cf3 h ILE 752 CO -0.28 0.00 -0.35 0.03 0.00 0.00 0.00 178.15 177.55 3cf3 h ARG 753 N -0.04 0.57 -0.66 2.37 3.08 -0.26 -3.15 114.38 116.29 3cf3 h ARG 753 Ca 0.32 -0.27 0.13 0.00 0.07 0.00 0.00 59.98 60.23 3cf3 h ARG 753 Cb 0.58 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.50 3cf3 h ARG 753 CO -0.92 0.84 -0.19 0.87 -1.07 0.00 0.00 179.97 179.50 3cf3 h LYS 754 N 0.48 -0.02 0.00 0.04 1.57 0.12 0.86 116.57 119.63 3cf3 h LYS 754 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3cf3 h LYS 754 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3cf3 h LYS 754 CO 0.07 -0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 3cf3 n TYR 755 N -5.45 0.76 0.08 -1.35 4.02 -0.88 -0.47 117.16 113.88 3cf3 n TYR 755 Ca 0.08 0.29 -0.22 0.00 -0.01 0.00 0.00 57.90 58.05 3cf3 n TYR 755 Cb 0.35 -0.97 -0.14 0.00 -0.02 0.00 0.00 39.34 38.55 3cf3 n TYR 755 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3cf3 h GLU 756 N 0.00 0.49 0.01 -0.72 4.39 0.67 -1.24 114.58 118.17 3cf3 h GLU 756 Ca 0.00 -0.71 -0.20 0.00 0.34 0.00 0.00 59.36 58.79 3cf3 h GLU 756 Cb 0.38 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3cf3 h GLU 756 CO 0.00 1.32 -0.92 0.52 -1.16 0.00 0.00 179.01 178.76 3cf3 h MET 757 N 0.01 0.04 -0.11 2.33 2.86 -0.55 -3.04 114.93 116.47 3cf3 h MET 757 Ca -0.17 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.21 3cf3 h MET 757 Cb 1.81 0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.50 3cf3 h MET 757 CO 0.21 0.93 -0.73 0.74 1.06 0.00 0.00 176.91 179.12 3cf3 h PHE 758 N 0.02 0.94 -0.02 -0.22 0.04 -0.86 -3.02 116.94 113.83 3cf3 h PHE 758 Ca -0.02 -0.44 -0.00 0.00 2.80 0.00 0.00 57.97 60.31 3cf3 h PHE 758 Cb 1.62 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.63 3cf3 h PHE 758 CO 0.01 1.26 0.01 0.00 -0.60 0.00 0.00 178.31 178.98 3cf3 n ALA 759 N -2.60 2.54 -0.11 2.45 0.00 -0.47 -1.02 120.51 121.31 3cf3 n ALA 759 Ca -0.08 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 3cf3 n ALA 759 Cb 0.72 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 3cf3 n ALA 759 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3cf3 n GLN 760 N 0.19 0.54 -0.10 0.00 7.27 -1.14 -3.93 117.38 120.21 3cf3 n GLN 760 Ca 0.01 0.14 -0.12 0.00 0.07 0.00 0.00 57.00 57.10 3cf3 n GLN 760 Cb 0.37 -1.42 -0.12 0.00 2.41 0.00 0.00 30.24 31.48 3cf3 n GLN 760 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3cf3 n THR 761 N -3.32 1.24 0.30 1.69 -2.24 -1.21 -4.02 114.28 106.72 3cf3 n THR 761 Ca -0.40 -0.62 0.18 0.00 -2.27 0.00 0.00 64.05 60.94 3cf3 n THR 761 Cb 0.90 -0.90 1.00 0.00 -2.10 0.00 0.00 70.33 69.23 3cf3 n THR 761 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3cf3 h LEU 762 N 0.00 0.00 -1.52 3.22 3.38 -1.33 -3.53 115.31 115.53 3cf3 h LEU 762 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3cf3 h LEU 762 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 3cf3 h LEU 762 CO -0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.51