#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2g s VAL 5 N 0.00 3.61 -0.29 4.08 1.01 -1.26 -4.80 120.40 122.74 1a2g s VAL 5 Ca 0.00 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1a2g s VAL 5 Cb 0.00 -2.47 0.09 0.00 0.00 0.00 0.00 36.38 33.99 1a2g s VAL 5 CO 0.00 0.59 0.04 -1.00 0.00 0.00 0.00 175.10 174.73 1a2g s HIS 6 N -0.72 2.41 -0.08 5.22 3.76 -1.26 -5.06 115.29 119.56 1a2g s HIS 6 Ca 0.11 -2.03 -0.15 0.00 -0.15 0.00 0.00 55.06 52.83 1a2g s HIS 6 Cb -0.11 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.57 1a2g s HIS 6 CO 0.01 -0.85 0.40 0.08 -0.85 0.00 0.00 174.74 173.53 1a2g s VAL 7 N 1.38 5.15 0.17 -0.90 1.01 -1.26 -0.53 120.40 125.41 1a2g s VAL 7 Ca 0.05 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1a2g s VAL 7 Cb -0.18 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1a2g s VAL 7 CO -0.14 0.46 1.34 0.00 0.00 0.00 0.00 175.10 176.75 1a2g s ALA 8 N -0.19 3.55 -0.31 5.51 0.00 -0.05 -4.86 121.76 125.41 1a2g s ALA 8 Ca 0.23 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.30 1a2g s ALA 8 Cb -0.15 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.56 1a2g s ALA 8 CO 0.10 -0.57 0.08 0.45 0.00 0.00 0.00 175.76 175.83 1a2g s SER 9 N 0.61 4.08 0.09 0.00 0.15 -0.34 -4.73 113.70 113.56 1a2g s SER 9 Ca 0.59 -1.66 -0.36 0.00 0.70 0.00 0.00 55.95 55.22 1a2g s SER 9 Cb -0.37 -0.96 -0.17 0.00 -1.71 0.00 0.00 66.02 62.82 1a2g s SER 9 CO 0.36 -0.40 1.28 0.52 1.20 0.00 0.00 173.24 176.19 1a2g n VAL 10 N 4.78 0.18 -1.68 4.45 0.31 -1.26 -4.35 118.33 120.75 1a2g n VAL 10 Ca -0.02 -0.04 -0.45 0.00 -0.01 0.00 0.00 64.34 63.82 1a2g n VAL 10 Cb 0.42 -0.74 -0.04 0.00 -0.91 0.00 0.00 33.84 32.58 1a2g n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a2g n GLU 11 N 2.28 2.26 -1.58 5.55 4.71 -1.26 -4.75 120.64 127.85 1a2g n GLU 11 Ca 0.18 0.81 -0.47 0.00 -0.01 0.00 0.00 57.16 57.68 1a2g n GLU 11 Cb 0.19 -2.57 -0.05 0.00 -1.01 0.00 0.00 31.44 28.00 1a2g n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1a2g n LYS 12 N 3.16 1.83 -0.64 3.49 4.81 -1.26 -1.69 118.16 127.85 1a2g n LYS 12 Ca 0.15 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1a2g n LYS 12 Cb 0.31 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.52 1a2g n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a2g n GLY 13 N 5.52 0.75 3.79 3.14 0.00 -1.26 -5.03 105.19 112.11 1a2g n GLY 13 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 1a2g n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2g s ARG 14 N -0.36 4.28 0.28 1.61 1.81 -0.68 -5.08 118.95 120.80 1a2g s ARG 14 Ca 0.00 0.79 0.01 0.00 -1.72 0.00 0.00 55.73 54.81 1a2g s ARG 14 Cb 0.00 -3.27 0.01 0.00 -0.45 0.00 0.00 34.95 31.24 1a2g s ARG 14 CO 0.00 0.55 0.10 -1.13 -0.68 0.00 0.00 175.30 174.13 1a2g n SER 15 N 2.02 2.36 -0.24 0.23 3.41 -1.26 -4.94 113.62 115.20 1a2g n SER 15 Ca -0.09 -2.09 0.04 0.00 -0.26 0.00 0.00 58.87 56.48 1a2g n SER 15 Cb 0.51 0.09 0.17 0.00 -0.26 0.00 0.00 64.21 64.72 1a2g n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1a2g h TYR 16 N 0.88 0.43 -0.07 7.33 3.20 -2.00 -2.01 116.97 124.73 1a2g h TYR 16 Ca -0.20 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 1a2g h TYR 16 Cb 0.67 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1a2g h TYR 16 CO 0.00 0.03 -0.13 0.93 -1.64 0.00 0.00 178.16 177.36 1a2g h GLU 17 N 0.39 0.10 -0.42 1.82 3.07 -1.98 -0.18 114.58 117.38 1a2g h GLU 17 Ca 0.39 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 59.16 1a2g h GLU 17 Cb 0.60 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1a2g h GLU 17 CO -0.41 0.23 -0.01 -0.44 -1.40 0.00 0.00 179.01 176.99 1a2g h ASP 18 N 0.10 0.74 -0.17 1.42 3.32 -1.75 -2.75 116.42 117.33 1a2g h ASP 18 Ca 0.02 -0.31 -0.15 0.00 0.02 0.00 0.00 57.03 56.61 1a2g h ASP 18 Cb 0.29 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1a2g h ASP 18 CO 0.02 0.87 -0.44 -0.26 -1.72 0.00 0.00 179.24 177.71 1a2g h PHE 19 N 0.59 0.87 -0.14 4.55 0.04 -1.22 -2.52 116.94 119.11 1a2g h PHE 19 Ca 0.12 -0.27 0.04 0.00 2.80 0.00 0.00 57.97 60.66 1a2g h PHE 19 Cb 0.50 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1a2g h PHE 19 CO 0.04 1.03 0.11 0.37 -0.60 0.00 0.00 178.31 179.26 1a2g h GLN 20 N 0.58 0.00 -0.19 1.51 5.75 -1.03 -1.00 115.11 120.73 1a2g h GLN 20 Ca 0.04 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.34 1a2g h GLN 20 Cb 0.99 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1a2g h GLN 20 CO 0.09 0.00 -0.69 0.87 -2.65 0.00 0.00 178.83 176.46 1a2g h LYS 21 N 0.00 0.75 -0.61 1.69 1.57 -1.15 -1.01 116.57 117.82 1a2g h LYS 21 Ca 0.06 -0.56 -0.10 0.00 -1.87 0.00 0.00 60.65 58.19 1a2g h LYS 21 Cb 0.28 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1a2g h LYS 21 CO -0.00 1.18 -0.00 0.28 -0.57 0.00 0.00 179.45 180.33 1a2g h VAL 22 N 0.54 1.27 0.76 0.50 2.07 -1.01 -1.48 116.25 118.90 1a2g h VAL 22 Ca -0.03 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1a2g h VAL 22 Cb 1.30 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1a2g h VAL 22 CO 0.14 0.42 -0.45 0.22 0.02 0.00 0.00 177.57 177.92 1a2g h TYR 23 N 0.98 -1.19 -0.84 1.57 5.03 -1.18 -1.49 116.97 119.84 1a2g h TYR 23 Ca 0.17 -0.01 0.21 0.00 2.58 0.00 0.00 58.73 61.68 1a2g h TYR 23 Cb 0.56 0.42 -0.14 0.00 1.55 0.00 0.00 36.73 39.13 1a2g h TYR 23 CO 0.04 -0.68 0.17 -0.91 -1.32 0.00 0.00 178.16 175.46 1a2g h ASN 24 N -1.13 -0.10 -0.67 -2.11 -0.26 -1.16 0.04 115.58 110.19 1a2g h ASN 24 Ca -0.10 0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.77 1a2g h ASN 24 Cb 0.90 0.29 -0.03 0.00 -1.06 0.00 0.00 38.32 38.42 1a2g h ASN 24 CO 0.11 -0.16 0.16 0.00 -1.06 0.00 0.00 177.43 176.49 1a2g h ALA 25 N 1.76 1.00 -0.38 -0.83 0.00 -0.83 -1.24 119.26 118.74 1a2g h ALA 25 Ca 0.51 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1a2g h ALA 25 Cb 0.99 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1a2g h ALA 25 CO -0.66 0.65 -0.03 0.82 0.00 0.00 0.00 179.25 180.03 1a2g h ILE 26 N 1.03 1.27 -0.43 0.00 2.04 -0.51 -2.24 117.51 118.66 1a2g h ILE 26 Ca 0.21 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.92 1a2g h ILE 26 Cb 0.36 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1a2g h ILE 26 CO 0.00 0.36 -0.07 0.00 0.00 0.00 0.00 178.15 178.43 1a2g h ALA 27 N 0.86 0.59 -0.68 1.87 0.00 -0.80 -0.88 119.26 120.23 1a2g h ALA 27 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1a2g h ALA 27 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1a2g h ALA 27 CO 0.03 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.98 1a2g h LEU 28 N 0.65 0.89 -1.18 0.00 4.07 -1.30 -0.52 115.31 117.93 1a2g h LEU 28 Ca 0.11 -0.14 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1a2g h LEU 28 Cb 0.60 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1a2g h LEU 28 CO 0.04 0.78 -0.21 0.50 -1.08 0.00 0.00 178.44 178.47 1a2g h LYS 29 N 0.94 0.00 -0.26 1.13 3.64 -1.10 -1.87 116.57 119.06 1a2g h LYS 29 Ca 0.23 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1a2g h LYS 29 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1a2g h LYS 29 CO -0.03 0.21 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.13 1a2g h LEU 30 N 0.00 0.59 -0.62 5.20 3.38 0.31 -1.17 115.31 123.00 1a2g h LEU 30 Ca -0.00 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1a2g h LEU 30 Cb 0.71 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1a2g h LEU 30 CO 0.03 0.89 0.28 -0.09 0.09 0.00 0.00 178.44 179.63 1a2g h ARG 31 N 0.29 0.49 0.04 1.13 2.43 -1.13 -3.21 114.38 114.42 1a2g h ARG 31 Ca 0.06 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a2g h ARG 31 Cb 0.68 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1a2g h ARG 31 CO 0.04 0.33 -0.02 1.49 -1.51 0.00 0.00 179.97 180.30 1a2g h GLU 32 N 0.51 -0.05 -1.99 0.20 4.81 -1.22 -3.31 114.58 113.53 1a2g h GLU 32 Ca 0.30 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 59.05 1a2g h GLU 32 Cb 0.30 0.01 -0.17 0.00 0.63 0.00 0.00 28.75 29.52 1a2g h GLU 32 CO -0.25 0.41 0.36 -0.25 -0.73 0.00 0.00 179.01 178.56 1a2g n ASP 33 N -4.89 6.43 0.00 1.04 9.92 -0.45 -4.69 116.55 123.91 1a2g n ASP 33 Ca -0.08 -3.18 0.05 0.00 -0.53 0.00 0.00 54.79 51.04 1a2g n ASP 33 Cb 0.25 -1.24 0.21 0.00 -0.64 0.00 0.00 41.12 39.70 1a2g n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1a2g n ASP 34 N 0.92 0.00 0.16 -2.24 5.75 -1.24 -3.20 116.55 116.70 1a2g n ASP 34 Ca 0.48 0.45 0.11 0.00 -0.01 0.00 0.00 54.79 55.82 1a2g n ASP 34 Cb 0.57 -0.47 0.08 0.00 -1.03 0.00 0.00 41.12 40.27 1a2g n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1a2g h GLU 35 N 0.00 0.00 -6.53 0.11 9.09 -1.90 -3.32 114.58 112.03 1a2g h GLU 35 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 1a2g h GLU 35 Cb 0.16 0.00 0.12 0.00 -1.65 0.00 0.00 28.75 27.38 1a2g h GLU 35 CO 0.00 0.02 0.12 0.98 0.05 0.00 0.00 179.01 180.19 1a2g n TYR 36 N -2.91 1.18 -3.55 2.06 9.36 -1.20 -1.63 117.16 120.48 1a2g n TYR 36 Ca 0.02 0.65 -0.24 0.00 3.32 0.00 0.00 57.90 61.64 1a2g n TYR 36 Cb 0.55 -2.23 0.04 0.00 -0.63 0.00 0.00 39.34 37.07 1a2g n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1a2g n ASP 37 N 1.00 -5.82 -4.08 2.98 2.03 -1.26 -1.47 116.55 109.93 1a2g n ASP 37 Ca 0.09 -0.84 -0.31 0.00 0.52 0.00 0.00 54.79 54.26 1a2g n ASP 37 Cb 0.35 -3.71 -0.04 0.00 -0.72 0.00 0.00 41.12 37.00 1a2g n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1a2g n ASN 38 N -2.61 -0.74 -0.99 1.67 4.13 -1.23 -1.84 115.26 113.65 1a2g n ASN 38 Ca -0.10 -1.14 -0.13 0.00 1.68 0.00 0.00 54.58 54.89 1a2g n ASN 38 Cb 0.59 -2.37 -0.06 0.00 -1.54 0.00 0.00 39.78 36.40 1a2g n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a2g n TYR 39 N -4.53 0.00 0.02 3.10 4.02 -0.64 -4.88 117.16 114.24 1a2g n TYR 39 Ca -0.28 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.53 1a2g n TYR 39 Cb 0.67 -2.57 0.07 0.00 -0.02 0.00 0.00 39.34 37.49 1a2g n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1a2g h ILE 40 N 0.00 1.33 0.00 -0.72 2.04 -0.96 -3.47 117.51 115.73 1a2g h ILE 40 Ca -0.26 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1a2g h ILE 40 Cb 1.01 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 1a2g h ILE 40 CO 0.39 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.71 1a2g n GLY 41 N 0.24 0.03 0.13 5.37 0.00 -0.54 -4.72 105.19 105.70 1a2g n GLY 41 Ca -0.03 -1.83 0.14 0.00 0.00 0.00 0.00 46.02 44.29 1a2g n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a2g n TYR 42 N 0.16 0.00 -0.14 1.61 4.02 -1.26 -4.47 117.16 117.08 1a2g n TYR 42 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1a2g n TYR 42 Cb 0.00 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.04 1a2g n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1a2g h GLY 43 N 4.96 -0.99 0.15 2.72 0.00 -1.93 -2.15 103.07 105.84 1a2g h GLY 43 Ca 0.00 0.71 0.04 0.00 0.00 0.00 0.00 47.33 48.08 1a2g h GLY 43 CO 0.00 -0.12 -0.37 -2.55 0.00 0.00 0.00 176.54 173.49 1a2g h PRO 44 N -0.40 -0.48 0.00 4.80 0.11 -1.90 -1.53 132.00 132.61 1a2g h PRO 44 Ca 0.08 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 1a2g h PRO 44 Cb 0.60 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1a2g h PRO 44 CO -0.59 -0.32 -0.17 -0.24 -0.21 0.00 0.00 178.00 176.47 1a2g h VAL 45 N -0.49 0.95 -0.37 3.15 3.04 -1.80 -1.80 116.25 118.92 1a2g h VAL 45 Ca 0.07 -0.60 -0.16 0.00 -1.01 0.00 0.00 66.70 64.99 1a2g h VAL 45 Cb 0.60 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1a2g h VAL 45 CO -0.33 0.16 -0.40 -0.07 -1.01 0.00 0.00 177.57 175.92 1a2g h LEU 46 N 0.00 0.99 -0.78 3.16 3.38 -0.98 0.04 115.31 121.12 1a2g h LEU 46 Ca -0.00 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 1a2g h LEU 46 Cb 0.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1a2g h LEU 46 CO 0.02 1.26 -0.60 -0.37 0.09 0.00 0.00 178.44 178.84 1a2g h VAL 47 N 0.75 1.43 -0.69 1.22 -1.51 -0.68 -2.25 116.25 114.52 1a2g h VAL 47 Ca 0.06 -2.06 -0.05 0.00 -1.23 0.00 0.00 66.70 63.41 1a2g h VAL 47 Cb 1.00 2.11 -0.03 0.00 -2.13 0.00 0.00 31.29 32.24 1a2g h VAL 47 CO 0.10 0.59 0.21 -0.09 -1.23 0.00 0.00 177.57 177.15 1a2g h ARG 48 N 0.01 1.06 -0.36 5.19 2.43 -1.11 -2.02 114.38 119.57 1a2g h ARG 48 Ca -0.01 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1a2g h ARG 48 Cb 1.07 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1a2g h ARG 48 CO 0.08 0.90 0.17 1.25 -1.51 0.00 0.00 179.97 180.87 1a2g h LEU 49 N 1.02 0.48 -1.06 3.80 5.85 -0.79 -0.09 115.31 124.52 1a2g h LEU 49 Ca 0.22 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1a2g h LEU 49 Cb 0.29 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1a2g h LEU 49 CO -0.01 0.48 0.64 0.00 -0.34 0.00 0.00 178.44 179.20 1a2g h ALA 50 N 1.02 1.33 -0.22 1.25 0.00 -1.23 -1.69 119.26 119.73 1a2g h ALA 50 Ca 0.12 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1a2g h ALA 50 Cb 0.13 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1a2g h ALA 50 CO -0.02 0.60 -0.64 2.35 0.00 0.00 0.00 179.25 181.55 1a2g h TRP 51 N 1.28 1.08 -0.07 0.00 2.91 -1.15 -3.05 115.95 116.94 1a2g h TRP 51 Ca 0.36 -0.43 -0.09 0.00 1.13 0.00 0.00 58.89 59.86 1a2g h TRP 51 Cb -0.10 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 28.35 1a2g h TRP 51 CO -0.00 1.26 -0.37 0.45 -1.03 0.00 0.00 178.44 178.75 1a2g h HIS 52 N 0.59 0.17 0.00 2.65 3.86 -0.50 0.23 115.15 122.15 1a2g h HIS 52 Ca -0.02 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1a2g h HIS 52 Cb 1.26 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 1a2g h HIS 52 CO 0.08 0.50 -0.22 -0.84 0.86 0.00 0.00 177.93 178.31 1a2g h ILE 53 N 0.13 0.41 0.00 2.45 -0.00 -1.41 -3.29 117.51 115.80 1a2g h ILE 53 Ca 0.01 -1.40 -0.23 0.00 -0.00 0.00 0.00 64.86 63.25 1a2g h ILE 53 Cb 0.71 2.05 -0.04 0.00 -0.00 0.00 0.00 36.82 39.54 1a2g h ILE 53 CO 0.05 0.22 -1.26 0.28 -0.00 0.00 0.00 178.15 177.44 1a2g h SER 54 N 0.00 0.00 0.23 2.16 0.02 -1.38 -3.04 113.55 111.54 1a2g h SER 54 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a2g h SER 54 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1a2g h SER 54 CO 0.03 0.91 -0.01 0.61 -1.14 0.00 0.00 176.83 177.22 1a2g n GLY 55 N 1.42 -1.05 0.07 -3.77 0.00 0.05 -2.82 105.19 99.08 1a2g n GLY 55 Ca -0.07 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.90 1a2g n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a2g n THR 56 N -1.04 0.00 -2.13 2.61 -2.24 -1.26 -4.61 114.28 105.61 1a2g n THR 56 Ca 0.20 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 1a2g n THR 56 Cb 0.18 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1a2g n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1a2g s TRP 57 N -2.36 3.15 -0.31 4.78 -0.00 -1.13 -4.00 118.94 119.07 1a2g s TRP 57 Ca 0.34 1.17 -0.04 0.00 -0.00 0.00 0.00 56.10 57.57 1a2g s TRP 57 Cb 0.21 -3.69 0.04 0.00 -0.00 0.00 0.00 33.47 30.03 1a2g s TRP 57 CO 0.44 -2.16 0.04 0.34 -0.00 0.00 0.00 176.95 175.60 1a2g s ASP 58 N 0.25 5.02 0.64 5.86 -1.08 -0.33 -4.52 116.67 122.52 1a2g s ASP 58 Ca 0.57 -1.13 0.43 0.00 -0.52 0.00 0.00 52.55 51.89 1a2g s ASP 58 Cb -0.39 -1.78 2.34 0.00 -1.46 0.00 0.00 42.92 41.63 1a2g s ASP 58 CO 0.42 -0.27 2.32 0.07 0.52 0.00 0.00 175.17 178.23 1a2g h LYS 59 N 8.11 0.00 -0.06 4.34 2.10 -1.73 -1.50 116.57 127.83 1a2g h LYS 59 Ca -0.24 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.32 1a2g h LYS 59 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1a2g h LYS 59 CO 0.57 0.00 -0.31 0.45 -2.00 0.00 0.00 179.45 178.16 1a2g h HIS 60 N 0.00 0.43 -0.17 0.07 3.86 -1.94 -3.36 115.15 114.03 1a2g h HIS 60 Ca 0.00 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1a2g h HIS 60 Cb 0.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1a2g h HIS 60 CO 0.00 0.93 0.00 -0.40 0.86 0.00 0.00 177.93 179.32 1a2g n ASP 61 N -4.44 2.42 -1.45 2.45 5.68 -1.15 -5.00 116.55 115.06 1a2g n ASP 61 Ca -0.08 -1.93 -0.18 0.00 -0.50 0.00 0.00 54.79 52.09 1a2g n ASP 61 Cb 0.50 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 40.28 1a2g n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1a2g n ASN 62 N 0.09 -5.27 -4.88 -1.12 5.15 -0.57 -3.78 115.26 104.88 1a2g n ASN 62 Ca 0.06 0.45 -0.30 0.00 -0.60 0.00 0.00 54.58 54.19 1a2g n ASN 62 Cb 0.33 -4.54 0.01 0.00 -0.53 0.00 0.00 39.78 35.05 1a2g n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1a2g s THR 63 N -2.54 4.75 0.00 -0.44 -4.23 -1.25 -4.85 115.64 107.08 1a2g s THR 63 Ca 0.00 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 1a2g s THR 63 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1a2g s THR 63 CO 0.00 -1.07 0.00 0.61 -0.54 0.00 0.00 174.62 173.62 1a2g n GLY 64 N -2.60 -0.32 0.27 3.99 0.00 -1.26 -1.18 105.19 104.08 1a2g n GLY 64 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1a2g n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2g n GLY 65 N 0.00 -2.82 0.20 -0.02 0.00 -1.26 -4.66 105.19 96.63 1a2g n GLY 65 Ca 0.00 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.42 1a2g n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a2g h SER 66 N 0.00 0.00 -0.79 1.61 4.64 -1.75 -3.39 113.55 113.87 1a2g h SER 66 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1a2g h SER 66 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1a2g h SER 66 CO 0.00 0.16 -0.38 0.22 -0.87 0.00 0.00 176.83 175.96 1a2g h TYR 67 N 0.00 -1.07 -0.00 4.77 3.20 -1.86 -2.87 116.97 119.13 1a2g h TYR 67 Ca -0.00 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1a2g h TYR 67 Cb 1.06 0.58 0.00 0.00 1.54 0.00 0.00 36.73 39.92 1a2g h TYR 67 CO 0.00 -0.40 -0.07 0.41 -1.64 0.00 0.00 178.16 176.47 1a2g n GLY 68 N -1.44 -1.05 2.47 1.82 0.00 -1.26 -2.89 105.19 102.84 1a2g n GLY 68 Ca 0.07 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1a2g n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2g n GLY 69 N 1.26 -0.50 0.00 -0.02 0.00 -1.08 -2.08 105.19 102.77 1a2g n GLY 69 Ca 0.15 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1a2g n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a2g n THR 70 N -3.61 0.80 0.09 2.61 -2.24 -1.26 -2.75 114.28 107.91 1a2g n THR 70 Ca -0.17 0.20 0.19 0.00 -2.27 0.00 0.00 64.05 62.00 1a2g n THR 70 Cb 0.63 -0.94 0.74 0.00 -2.10 0.00 0.00 70.33 68.66 1a2g n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1a2g h TYR 71 N 0.00 0.00 -0.16 4.78 3.20 -1.93 -1.02 116.97 121.84 1a2g h TYR 71 Ca 0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1a2g h TYR 71 Cb 0.22 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1a2g h TYR 71 CO 0.00 0.00 0.14 0.07 -1.64 0.00 0.00 178.16 176.73 1a2g h ARG 72 N 0.00 0.00 -6.69 1.82 0.11 -1.91 -3.22 114.38 104.49 1a2g h ARG 72 Ca 0.19 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.77 1a2g h ARG 72 Cb 0.87 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.92 1a2g h ARG 72 CO -0.00 0.00 0.13 -0.06 0.10 0.00 0.00 179.97 180.14 1a2g s PHE 73 N -4.86 3.50 0.20 4.08 0.08 -0.39 -4.94 117.98 115.65 1a2g s PHE 73 Ca -0.05 1.34 -0.14 0.00 0.12 0.00 0.00 56.93 58.21 1a2g s PHE 73 Cb 0.17 -2.61 0.22 0.00 -0.57 0.00 0.00 43.02 40.22 1a2g s PHE 73 CO 0.63 0.19 1.65 0.87 -0.10 0.00 0.00 175.22 178.45 1a2g h LYS 74 N 2.76 0.04 -0.31 0.44 6.56 -1.86 -0.97 116.57 123.23 1a2g h LYS 74 Ca -0.48 -0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.18 1a2g h LYS 74 Cb 1.18 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.76 1a2g h LYS 74 CO 0.65 0.03 -0.15 -0.22 -2.06 0.00 0.00 179.45 177.70 1a2g h LYS 75 N 0.04 -0.10 -0.16 3.15 3.64 -1.93 -0.01 116.57 121.20 1a2g h LYS 75 Ca 0.28 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1a2g h LYS 75 Cb 0.43 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1a2g h LYS 75 CO -0.54 -0.07 -0.62 1.49 -2.27 0.00 0.00 179.45 177.45 1a2g h GLU 76 N -0.10 0.71 -0.90 1.90 4.81 -1.75 -3.00 114.58 116.25 1a2g h GLU 76 Ca 0.16 -0.54 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1a2g h GLU 76 Cb 0.35 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 1a2g h GLU 76 CO -0.38 1.16 0.59 0.35 -0.73 0.00 0.00 179.01 180.00 1a2g h PHE 77 N 0.40 1.11 -0.47 0.92 3.57 -0.93 -2.50 116.94 119.04 1a2g h PHE 77 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1a2g h PHE 77 Cb 1.25 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1a2g h PHE 77 CO 0.09 0.67 0.00 0.09 -2.23 0.00 0.00 178.31 176.94 1a2g n ASN 78 N -4.42 2.65 -4.68 0.41 5.03 -0.04 -4.83 115.26 109.38 1a2g n ASN 78 Ca 0.11 -2.03 -0.45 0.00 0.87 0.00 0.00 54.58 53.07 1a2g n ASN 78 Cb 0.06 -0.34 -0.04 0.00 -1.02 0.00 0.00 39.78 38.44 1a2g n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1a2g n ASP 79 N 0.87 3.70 -0.32 6.41 -0.08 -0.94 -4.90 116.55 121.29 1a2g n ASP 79 Ca 0.16 0.98 0.18 0.00 -1.51 0.00 0.00 54.79 54.60 1a2g n ASP 79 Cb 0.43 -1.46 0.36 0.00 2.34 0.00 0.00 41.12 42.80 1a2g n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a2g h PRO 80 N 8.87 0.10 0.00 -0.67 0.11 -1.92 0.34 132.00 138.83 1a2g h PRO 80 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1a2g h PRO 80 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1a2g h PRO 80 CO 0.94 0.07 0.00 0.77 -0.21 0.00 0.00 178.00 179.57 1a2g h SER 81 N 0.11 0.00 0.05 -2.05 0.02 -1.94 -2.02 113.55 107.71 1a2g h SER 81 Ca 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1a2g h SER 81 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1a2g h SER 81 CO -0.77 0.00 -0.21 0.59 -1.14 0.00 0.00 176.83 175.30 1a2g n ASN 82 N -2.54 1.88 -4.66 3.07 3.02 0.12 -5.00 115.26 111.15 1a2g n ASN 82 Ca -0.01 -1.46 -0.60 0.00 -0.03 0.00 0.00 54.58 52.48 1a2g n ASN 82 Cb 0.10 0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 1a2g n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a2g n ALA 83 N 0.17 -1.35 0.00 5.41 0.00 -0.76 -1.29 120.51 122.70 1a2g n ALA 83 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1a2g n ALA 83 Cb 0.44 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1a2g n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a2g n GLY 84 N 3.34 2.19 0.09 0.00 0.00 -1.26 -4.82 105.19 104.72 1a2g n GLY 84 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1a2g n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a2g n LEU 85 N 0.00 0.55 0.19 0.99 4.77 -0.41 -3.10 117.00 120.00 1a2g n LEU 85 Ca 0.00 0.59 0.17 0.00 -0.03 0.00 0.00 56.01 56.74 1a2g n LEU 85 Cb 0.00 -0.45 0.81 0.00 -2.33 0.00 0.00 43.42 41.45 1a2g n LEU 85 CO 0.00 -0.29 1.15 1.56 -1.33 0.00 0.00 177.39 178.48 1a2g h GLN 86 N 0.00 0.00 -0.16 3.23 7.50 -1.91 0.13 115.11 123.90 1a2g h GLN 86 Ca 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.00 1a2g h GLN 86 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1a2g h GLN 86 CO 0.00 0.00 -0.55 -0.91 -1.50 0.00 0.00 178.83 175.87 1a2g h ASN 87 N 0.00 0.53 -0.15 1.46 2.35 -1.96 -0.58 115.58 117.24 1a2g h ASN 87 Ca 0.10 -0.28 -0.20 0.00 -0.55 0.00 0.00 56.30 55.37 1a2g h ASN 87 Cb 0.57 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1a2g h ASN 87 CO -0.00 0.97 -0.66 1.23 -1.65 0.00 0.00 177.43 177.32 1a2g h GLY 88 N 1.15 0.84 0.85 2.83 0.00 -0.97 -2.54 103.07 105.24 1a2g h GLY 88 Ca 0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.25 1a2g h GLY 88 CO 0.10 0.97 -0.21 -2.75 0.00 0.00 0.00 176.54 174.65 1a2g h PHE 89 N 0.56 -0.55 -0.72 5.60 3.57 -1.23 -2.37 116.94 121.79 1a2g h PHE 89 Ca -0.02 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1a2g h PHE 89 Cb 1.27 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 1a2g h PHE 89 CO 0.07 -0.32 0.48 0.87 -2.23 0.00 0.00 178.31 177.18 1a2g h LYS 90 N -0.50 0.67 -0.54 1.11 1.57 -1.16 -0.81 116.57 116.92 1a2g h LYS 90 Ca -0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1a2g h LYS 90 Cb 0.43 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1a2g h LYS 90 CO 0.01 0.45 0.29 0.35 -0.57 0.00 0.00 179.45 179.98 1a2g h PHE 91 N 0.69 0.74 0.00 -1.35 3.04 -1.19 -3.19 116.94 115.70 1a2g h PHE 91 Ca 0.32 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.20 1a2g h PHE 91 Cb 0.35 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1a2g h PHE 91 CO -0.00 0.55 -0.26 -0.07 -2.02 0.00 0.00 178.31 176.51 1a2g h LEU 92 N 0.72 0.00 -0.37 0.59 3.38 -0.71 -3.39 115.31 115.53 1a2g h LEU 92 Ca 0.19 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1a2g h LEU 92 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1a2g h LEU 92 CO -0.03 0.26 0.09 -0.08 0.09 0.00 0.00 178.44 178.77 1a2g h GLU 93 N 0.00 0.21 -0.77 1.13 4.81 -1.18 -0.37 114.58 118.42 1a2g h GLU 93 Ca -0.00 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.40 1a2g h GLU 93 Cb 1.18 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1a2g h GLU 93 CO 0.03 0.14 0.53 -1.00 -0.73 0.00 0.00 179.01 177.98 1a2g h PRO 94 N 0.22 0.24 -0.13 0.92 0.13 -1.77 -1.32 132.00 130.29 1a2g h PRO 94 Ca 0.17 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.10 1a2g h PRO 94 Cb 0.19 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.26 1a2g h PRO 94 CO -0.21 0.16 -0.70 0.82 -0.23 0.00 0.00 178.00 177.83 1a2g h ILE 95 N 0.24 1.33 -0.27 -3.56 2.04 -1.35 -2.36 117.51 113.59 1a2g h ILE 95 Ca 0.38 -2.00 -0.08 0.00 1.00 0.00 0.00 64.86 64.17 1a2g h ILE 95 Cb 1.13 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1a2g h ILE 95 CO -0.09 0.62 -0.14 -0.74 0.00 0.00 0.00 178.15 177.80 1a2g h HIS 96 N 0.41 0.66 -0.58 1.37 2.76 -0.29 -1.62 115.15 117.86 1a2g h HIS 96 Ca -0.03 -0.17 0.17 0.00 -2.20 0.00 0.00 60.37 58.14 1a2g h HIS 96 Cb 1.29 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 1a2g h HIS 96 CO 0.06 0.83 0.43 0.87 -1.30 0.00 0.00 177.93 178.81 1a2g h LYS 97 N 0.30 0.00 0.00 5.26 1.79 -1.22 -2.14 116.57 120.55 1a2g h LYS 97 Ca 0.06 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.36 1a2g h LYS 97 Cb 0.66 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 1a2g h LYS 97 CO 0.04 0.00 -0.96 1.49 -1.08 0.00 0.00 179.45 178.94 1a2g h GLU 98 N 0.00 0.00 -2.40 3.15 4.81 -0.94 -3.38 114.58 115.83 1a2g h GLU 98 Ca 0.28 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.91 1a2g h GLU 98 Cb 1.12 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.10 1a2g h GLU 98 CO -0.00 0.60 -0.77 1.19 -0.73 0.00 0.00 179.01 179.30 1a2g n PHE 99 N -3.17 1.90 0.30 0.92 3.01 -0.65 -4.98 117.46 114.78 1a2g n PHE 99 Ca -0.03 -3.92 0.17 0.00 1.01 0.00 0.00 57.45 54.68 1a2g n PHE 99 Cb 0.85 -0.39 0.78 0.00 -0.01 0.00 0.00 39.48 40.70 1a2g n PHE 99 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1a2g h PRO 100 N 4.67 0.00 0.00 -1.08 0.11 -1.66 -2.86 132.00 131.19 1a2g h PRO 100 Ca 0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1a2g h PRO 100 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1a2g h PRO 100 CO 0.65 0.00 -0.20 0.11 -0.21 0.00 0.00 178.00 178.35 1a2g h TRP 101 N 0.00 0.00 -3.68 0.65 5.08 -1.94 -3.46 115.95 112.60 1a2g h TRP 101 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1a2g h TRP 101 Cb 0.27 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.44 1a2g h TRP 101 CO 0.00 0.20 0.46 -1.50 -1.28 0.00 0.00 178.44 176.31 1a2g s ILE 102 N -3.40 3.75 0.70 0.12 2.07 -1.08 -4.92 121.20 118.43 1a2g s ILE 102 Ca 0.03 1.63 -0.15 0.00 -1.41 0.00 0.00 60.65 60.75 1a2g s ILE 102 Cb 0.08 -4.04 0.02 0.00 0.13 0.00 0.00 42.46 38.65 1a2g s ILE 102 CO 0.65 0.34 1.14 -0.94 -1.91 0.00 0.00 174.94 174.22 1a2g s SER 103 N -0.55 4.70 0.14 4.50 1.04 -1.26 -4.88 113.70 117.38 1a2g s SER 103 Ca 0.46 2.12 -0.20 0.00 0.48 0.00 0.00 55.95 58.82 1a2g s SER 103 Cb -0.30 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.25 1a2g s SER 103 CO 0.37 -1.91 1.69 0.28 0.98 0.00 0.00 173.24 174.65 1a2g h SER 104 N -0.19 -0.24 -0.77 7.02 0.02 -1.92 -1.63 113.55 115.83 1a2g h SER 104 Ca -0.47 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 1a2g h SER 104 Cb 1.26 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.89 1a2g h SER 104 CO 0.52 -0.09 0.45 1.23 -1.14 0.00 0.00 176.83 177.80 1a2g h GLY 105 N -0.01 1.16 1.05 -3.77 0.00 -1.80 0.14 103.07 99.85 1a2g h GLY 105 Ca 0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1a2g h GLY 105 CO -0.25 0.18 0.28 -0.55 0.00 0.00 0.00 176.54 176.20 1a2g h ASP 106 N 0.80 1.10 0.13 0.19 5.19 -1.82 -1.95 116.42 120.07 1a2g h ASP 106 Ca 0.35 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1a2g h ASP 106 Cb 0.24 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1a2g h ASP 106 CO -0.20 1.00 -0.06 0.25 -3.12 0.00 0.00 179.24 177.10 1a2g h LEU 107 N 1.14 -0.15 -1.03 1.55 5.85 -0.11 -1.18 115.31 121.38 1a2g h LEU 107 Ca 0.25 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1a2g h LEU 107 Cb 0.27 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1a2g h LEU 107 CO -0.01 0.18 0.65 -0.26 -0.34 0.00 0.00 178.44 178.65 1a2g h PHE 108 N -0.50 1.20 0.08 1.25 0.04 -0.86 -0.44 116.94 117.71 1a2g h PHE 108 Ca -0.02 0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 1a2g h PHE 108 Cb 0.40 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1a2g h PHE 108 CO 0.03 0.67 -1.12 0.66 -0.60 0.00 0.00 178.31 177.95 1a2g h SER 109 N 1.22 0.45 0.66 2.17 4.64 -1.38 -3.22 113.55 118.08 1a2g h SER 109 Ca 0.40 -0.43 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 1a2g h SER 109 Cb 0.06 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1a2g h SER 109 CO -0.14 1.29 -0.52 0.25 -0.87 0.00 0.00 176.83 176.84 1a2g h LEU 110 N 0.13 0.00 -0.56 5.97 5.85 -0.86 -2.80 115.31 123.04 1a2g h LEU 110 Ca -0.11 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.70 1a2g h LEU 110 Cb 1.81 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.77 1a2g h LEU 110 CO 0.19 0.52 0.16 1.23 -0.34 0.00 0.00 178.44 180.20 1a2g h GLY 111 N 1.83 0.73 0.98 3.75 0.00 -1.10 0.14 103.07 109.41 1a2g h GLY 111 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1a2g h GLY 111 CO 0.07 -0.05 0.22 -1.33 0.00 0.00 0.00 176.54 175.45 1a2g h GLY 112 N 0.31 0.53 0.93 4.60 0.00 -1.56 0.35 103.07 108.24 1a2g h GLY 112 Ca 0.28 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1a2g h GLY 112 CO -0.32 0.22 0.48 -2.08 0.00 0.00 0.00 176.54 174.83 1a2g h VAL 113 N 0.48 1.14 -0.24 4.60 2.07 -1.22 -2.05 116.25 121.03 1a2g h VAL 113 Ca 0.13 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1a2g h VAL 113 Cb 0.01 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1a2g h VAL 113 CO -0.02 0.17 -0.16 0.74 0.02 0.00 0.00 177.57 178.32 1a2g h THR 114 N 0.95 1.31 -0.09 2.57 2.02 -0.36 -2.50 112.91 116.81 1a2g h THR 114 Ca 0.28 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 66.23 1a2g h THR 114 Cb -0.04 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1a2g h THR 114 CO -0.09 0.40 -0.18 0.00 0.37 0.00 0.00 175.52 176.02 1a2g h ALA 115 N 0.71 -0.15 -0.52 6.16 0.00 -0.86 -0.76 119.26 123.84 1a2g h ALA 115 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1a2g h ALA 115 Cb 0.68 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1a2g h ALA 115 CO 0.04 -0.64 0.31 0.28 0.00 0.00 0.00 179.25 179.24 1a2g h VAL 116 N -0.25 1.05 -0.19 0.00 2.07 -1.37 -0.83 116.25 116.73 1a2g h VAL 116 Ca 0.08 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1a2g h VAL 116 Cb 0.37 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1a2g h VAL 116 CO -0.23 0.11 -0.55 1.56 0.02 0.00 0.00 177.57 178.48 1a2g h GLN 117 N 0.61 0.58 0.00 1.57 4.20 -1.22 0.15 115.11 121.00 1a2g h GLN 117 Ca 0.21 -0.36 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 1a2g h GLN 117 Cb 0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1a2g h GLN 117 CO -0.09 0.97 -0.55 0.93 -0.67 0.00 0.00 178.83 179.42 1a2g h GLU 118 N 0.45 0.00 -1.06 1.46 4.39 -0.97 -2.99 114.58 115.85 1a2g h GLU 118 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1a2g h GLU 118 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1a2g h GLU 118 CO 0.10 0.55 0.00 -1.33 -1.16 0.00 0.00 179.01 177.17 1a2g n MET 119 N -3.61 0.85 -1.56 2.33 2.81 -0.33 -4.84 117.12 112.77 1a2g n MET 119 Ca -0.00 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.69 1a2g n MET 119 Cb 0.61 -1.18 -0.08 0.00 -0.71 0.00 0.00 33.22 31.86 1a2g n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1a2g n GLN 120 N 0.42 -1.33 -0.81 0.03 1.13 -1.13 -0.60 117.38 115.10 1a2g n GLN 120 Ca 0.00 1.17 -0.20 0.00 -1.94 0.00 0.00 57.00 56.03 1a2g n GLN 120 Cb 0.36 -5.48 0.17 0.00 0.11 0.00 0.00 30.24 25.39 1a2g n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a2g n GLY 121 N -0.63 -2.45 3.76 1.08 0.00 0.51 -4.71 105.19 102.74 1a2g n GLY 121 Ca -0.19 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 1a2g n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a2g s PRO 122 N -4.74 2.07 0.09 1.61 0.04 -1.26 -4.74 135.00 128.07 1a2g s PRO 122 Ca 0.49 1.17 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 1a2g s PRO 122 Cb -0.04 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 1a2g s PRO 122 CO 0.37 -1.78 1.42 0.15 0.04 0.00 0.00 177.00 177.20 1a2g s LYS 123 N -4.88 4.30 -0.34 4.56 -0.14 -1.26 -4.50 119.74 117.48 1a2g s LYS 123 Ca 0.62 2.08 -0.09 0.00 -1.36 0.00 0.00 55.97 57.22 1a2g s LYS 123 Cb -0.18 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.66 1a2g s LYS 123 CO 0.56 -0.49 0.15 0.42 -0.76 0.00 0.00 175.35 175.23 1a2g s ILE 124 N 1.47 4.34 0.23 2.17 -1.09 -1.26 -4.89 121.20 122.16 1a2g s ILE 124 Ca 0.65 -0.75 -0.31 0.00 -2.23 0.00 0.00 60.65 58.01 1a2g s ILE 124 Cb -0.36 -3.33 -0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1a2g s ILE 124 CO 0.30 -0.08 1.42 -2.65 -1.23 0.00 0.00 174.94 172.70 1a2g n PRO 125 N 4.94 2.05 -4.55 2.79 -0.02 -1.26 -4.75 135.00 134.19 1a2g n PRO 125 Ca -0.13 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 61.86 1a2g n PRO 125 Cb 0.47 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 1a2g n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1a2g s TRP 126 N 0.02 1.30 -0.07 6.00 -0.00 -0.58 -4.81 118.94 120.80 1a2g s TRP 126 Ca 0.69 -0.29 0.02 0.00 -0.00 0.00 0.00 56.10 56.52 1a2g s TRP 126 Cb -0.65 -0.81 -0.03 0.00 -0.00 0.00 0.00 33.47 31.98 1a2g s TRP 126 CO 0.49 0.01 -0.11 1.03 -0.00 0.00 0.00 176.95 178.36 1a2g s ARG 127 N -0.67 2.79 0.63 5.86 0.52 -1.26 0.21 118.95 127.03 1a2g s ARG 127 Ca 0.04 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 1a2g s ARG 127 Cb -0.07 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 32.94 1a2g s ARG 127 CO 0.00 0.55 0.90 0.00 0.02 0.00 0.00 175.30 176.77 1a2g n GLY 129 N -2.63 0.72 3.76 0.00 0.00 -1.26 -4.72 105.19 101.06 1a2g n GLY 129 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1a2g n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a2g s ARG 130 N 0.00 3.41 -0.07 1.61 0.52 -1.26 -1.20 118.95 121.95 1a2g s ARG 130 Ca 0.00 1.97 0.04 0.00 -0.52 0.00 0.00 55.73 57.22 1a2g s ARG 130 Cb 0.00 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.19 1a2g s ARG 130 CO 0.00 -0.89 -0.19 0.08 0.02 0.00 0.00 175.30 174.31 1a2g s VAL 131 N -1.45 1.65 0.09 3.52 1.01 -1.14 -4.70 120.40 119.38 1a2g s VAL 131 Ca 0.69 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 1a2g s VAL 131 Cb -0.34 -1.44 -0.11 0.00 0.00 0.00 0.00 36.38 34.50 1a2g s VAL 131 CO 0.40 0.47 1.87 0.47 0.00 0.00 0.00 175.10 178.30 1a2g n ASP 132 N 3.44 4.01 -4.78 3.32 9.92 -1.26 -4.02 116.55 127.19 1a2g n ASP 132 Ca -0.20 0.97 -0.22 0.00 -0.53 0.00 0.00 54.79 54.81 1a2g n ASP 132 Cb 0.52 -1.53 -0.05 0.00 -0.64 0.00 0.00 41.12 39.43 1a2g n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1a2g s THR 133 N 3.15 3.62 0.79 -3.53 -4.23 -0.88 -5.03 115.64 109.52 1a2g s THR 133 Ca 0.84 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1a2g s THR 133 Cb -0.49 -3.13 0.06 0.00 1.34 0.00 0.00 72.50 70.29 1a2g s THR 133 CO 0.39 -0.26 1.09 -2.84 -0.54 0.00 0.00 174.62 172.47 1a2g s PRO 134 N -3.86 2.15 0.56 3.99 0.02 -1.26 -4.86 135.00 131.74 1a2g s PRO 134 Ca 0.36 1.16 0.31 0.00 0.02 0.00 0.00 61.00 62.84 1a2g s PRO 134 Cb -0.06 -1.88 1.46 0.00 0.02 0.00 0.00 34.50 34.04 1a2g s PRO 134 CO 0.24 -1.72 1.85 1.49 -0.33 0.00 0.00 177.00 178.53 1a2g h GLU 135 N -1.18 0.00 -0.00 5.54 4.81 -1.98 0.60 114.58 122.36 1a2g h GLU 135 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1a2g h GLU 135 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1a2g h GLU 135 CO 0.51 0.00 -0.00 -0.40 -0.73 0.00 0.00 179.01 178.39 1a2g n ASP 136 N -3.96 0.06 -0.82 1.04 5.75 -1.26 -2.36 116.55 114.99 1a2g n ASP 136 Ca 0.15 -0.72 0.12 0.00 -0.01 0.00 0.00 54.79 54.33 1a2g n ASP 136 Cb 0.89 -0.09 0.28 0.00 -1.03 0.00 0.00 41.12 41.16 1a2g n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1a2g n THR 137 N -1.06 0.16 -1.90 2.12 -2.24 0.20 -4.96 114.28 106.61 1a2g n THR 137 Ca 0.20 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1a2g n THR 137 Cb 0.17 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1a2g n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1a2g s THR 138 N -1.84 3.13 0.54 4.28 2.01 -1.00 -4.73 115.64 118.04 1a2g s THR 138 Ca 0.34 0.46 -0.22 0.00 0.31 0.00 0.00 61.69 62.58 1a2g s THR 138 Cb 0.20 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 1a2g s THR 138 CO 0.31 -0.01 1.34 -2.16 -0.69 0.00 0.00 174.62 173.40 1a2g s PRO 139 N 3.17 3.19 0.58 4.92 0.04 -1.26 -5.00 135.00 140.64 1a2g s PRO 139 Ca 0.76 2.19 -0.19 0.00 0.04 0.00 0.00 61.00 63.80 1a2g s PRO 139 Cb -0.39 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1a2g s PRO 139 CO 0.33 -1.13 1.20 -0.51 0.04 0.00 0.00 177.00 176.93 1a2g s ASP 140 N -1.00 5.30 0.84 6.66 1.01 -1.26 -4.67 116.67 123.56 1a2g s ASP 140 Ca 0.71 2.37 -0.12 0.00 0.71 0.00 0.00 52.55 56.22 1a2g s ASP 140 Cb -0.39 -2.60 0.10 0.00 1.01 0.00 0.00 42.92 41.04 1a2g s ASP 140 CO 0.46 -1.52 1.19 0.20 0.21 0.00 0.00 175.17 175.71 1a2g s ASN 141 N -1.58 3.36 0.00 0.27 0.01 -1.26 -4.19 114.94 111.55 1a2g s ASN 141 Ca 0.76 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 55.22 1a2g s ASN 141 Cb -0.30 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.78 1a2g s ASN 141 CO 0.33 -2.82 0.00 0.61 -1.51 0.00 0.00 177.10 173.71 1a2g n GLY 142 N 0.40 0.92 0.00 0.66 0.00 -1.26 -4.98 105.19 100.92 1a2g n GLY 142 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1a2g n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2g n ARG 143 N -2.00 0.01 -3.50 1.61 1.74 -1.26 -4.94 116.66 108.32 1a2g n ARG 143 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1a2g n ARG 143 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.89 1a2g n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a2g s LEU 144 N -3.02 4.18 0.19 0.55 1.43 -1.26 -4.77 118.68 115.97 1a2g s LEU 144 Ca 0.10 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 1a2g s LEU 144 Cb 0.17 -3.49 -0.08 0.00 0.03 0.00 0.00 46.19 42.82 1a2g s LEU 144 CO 0.76 -0.06 0.98 -2.16 0.23 0.00 0.00 176.35 176.10 1a2g s PRO 145 N -2.96 4.76 0.56 1.29 0.04 -1.26 -5.06 135.00 132.36 1a2g s PRO 145 Ca 0.44 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 1a2g s PRO 145 Cb -0.11 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1a2g s PRO 145 CO 0.25 0.34 1.15 -0.51 0.04 0.00 0.00 177.00 178.27 1a2g s ASP 146 N -0.62 5.58 0.22 6.66 1.01 -1.26 -4.99 116.67 123.26 1a2g s ASP 146 Ca 0.44 2.23 0.20 0.00 0.71 0.00 0.00 52.55 56.14 1a2g s ASP 146 Cb -0.26 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.12 1a2g s ASP 146 CO 0.32 -1.32 1.13 0.00 0.21 0.00 0.00 175.17 175.51 1a2g h ALA 147 N 1.11 0.64 -0.46 5.23 0.00 -1.99 -3.41 119.26 120.38 1a2g h ALA 147 Ca -0.50 -0.26 -0.41 0.00 0.00 0.00 0.00 54.91 53.74 1a2g h ALA 147 Cb 1.27 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1a2g h ALA 147 CO 0.56 0.30 0.32 -0.40 0.00 0.00 0.00 179.25 180.03 1a2g n ASP 148 N -2.86 6.33 -2.45 0.00 5.75 -1.26 -1.51 116.55 120.55 1a2g n ASP 148 Ca -0.02 -3.08 -0.12 0.00 -0.01 0.00 0.00 54.79 51.56 1a2g n ASP 148 Cb 0.64 -1.20 -0.04 0.00 -1.03 0.00 0.00 41.12 39.49 1a2g n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1a2g n LYS 149 N 0.89 0.34 -3.63 0.11 4.76 -1.26 -4.97 118.16 114.40 1a2g n LYS 149 Ca 0.42 -2.12 -0.24 0.00 -2.87 0.00 0.00 58.31 53.50 1a2g n LYS 149 Cb 0.60 1.83 -0.00 0.00 -1.84 0.00 0.00 35.03 35.62 1a2g n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1a2g n ASP 150 N -2.01 2.61 0.33 4.39 5.75 -1.26 -3.25 116.55 123.11 1a2g n ASP 150 Ca 0.04 -2.72 0.22 0.00 -0.01 0.00 0.00 54.79 52.32 1a2g n ASP 150 Cb 0.40 -0.03 1.15 0.00 -1.03 0.00 0.00 41.12 41.62 1a2g n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a2g h ALA 151 N 0.70 1.00 0.13 2.12 0.00 -1.90 -2.37 119.26 118.94 1a2g h ALA 151 Ca -0.32 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 1a2g h ALA 151 Cb 1.15 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1a2g h ALA 151 CO 0.50 0.00 -0.97 0.78 0.00 0.00 0.00 179.25 179.55 1a2g h GLY 152 N 0.18 0.49 0.59 0.00 0.00 -1.96 -2.54 103.07 99.83 1a2g h GLY 152 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 47.33 46.28 1a2g h GLY 152 CO 0.00 0.97 0.21 -1.82 0.00 0.00 0.00 176.54 175.90 1a2g h TYR 153 N -0.11 0.37 -0.24 5.60 5.03 -1.85 -2.44 116.97 123.33 1a2g h TYR 153 Ca -0.16 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.18 1a2g h TYR 153 Cb 1.73 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.90 1a2g h TYR 153 CO 0.16 0.14 0.15 0.28 -1.32 0.00 0.00 178.16 177.57 1a2g h VAL 154 N 0.41 1.05 -0.41 1.81 2.07 -1.45 0.53 116.25 120.25 1a2g h VAL 154 Ca 0.24 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1a2g h VAL 154 Cb 0.22 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1a2g h VAL 154 CO -0.22 0.06 0.18 -0.09 0.02 0.00 0.00 177.57 177.52 1a2g h ARG 155 N 0.31 0.35 -0.50 1.57 2.43 -1.42 -1.56 114.38 115.56 1a2g h ARG 155 Ca 0.09 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1a2g h ARG 155 Cb -0.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1a2g h ARG 155 CO -0.03 0.23 -0.18 1.15 -1.51 0.00 0.00 179.97 179.63 1a2g h THR 156 N 0.36 1.27 0.13 0.20 2.02 -1.25 -2.51 112.91 113.13 1a2g h THR 156 Ca 0.18 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1a2g h THR 156 Cb 0.13 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1a2g h THR 156 CO -0.16 0.47 -0.06 0.15 0.37 0.00 0.00 175.52 176.29 1a2g h PHE 157 N 0.87 -0.16 0.00 3.16 3.57 -0.73 -3.02 116.94 120.63 1a2g h PHE 157 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1a2g h PHE 157 Cb 0.76 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1a2g h PHE 157 CO 0.05 0.04 0.00 1.19 -2.23 0.00 0.00 178.31 177.36 1a2g n PHE 158 N -5.09 0.00 0.07 0.41 3.72 -0.60 -1.45 117.46 114.51 1a2g n PHE 158 Ca -0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.28 1a2g n PHE 158 Cb 0.16 -0.48 0.19 0.00 -0.94 0.00 0.00 39.48 38.41 1a2g n PHE 158 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1a2g h GLN 159 N 0.00 0.31 0.00 -1.08 -0.00 -1.31 0.45 115.11 113.47 1a2g h GLN 159 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1a2g h GLN 159 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.76 1a2g h GLN 159 CO 0.00 0.68 0.00 -0.09 0.00 0.00 0.00 178.83 179.42 1a2g h ARG 160 N 0.26 0.00 -0.24 1.69 2.43 -1.31 -2.19 114.38 115.01 1a2g h ARG 160 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a2g h ARG 160 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1a2g h ARG 160 CO 0.07 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.81 1a2g n LEU 161 N -2.64 3.13 -2.43 3.80 4.77 -1.04 -2.04 117.00 120.55 1a2g n LEU 161 Ca -0.01 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1a2g n LEU 161 Cb 0.11 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1a2g n LEU 161 CO 0.17 0.68 0.00 -0.46 -1.33 0.00 0.00 177.39 176.45 1a2g n ASN 162 N -0.16 0.00 -4.70 -1.43 6.94 -0.83 -4.99 115.26 110.10 1a2g n ASN 162 Ca 0.14 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.33 1a2g n ASN 162 Cb 0.60 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.95 1a2g n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1a2g s MET 163 N -2.61 4.25 0.00 -3.83 -1.94 0.12 -5.00 119.30 110.29 1a2g s MET 163 Ca 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1a2g s MET 163 Cb 0.00 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.36 1a2g s MET 163 CO 0.00 0.09 0.00 0.27 -0.01 0.00 0.00 175.02 175.37 1a2g n ASN 164 N 4.00 0.00 -0.05 3.03 0.23 -1.26 -4.29 115.26 116.92 1a2g n ASN 164 Ca -0.09 -0.63 -0.11 0.00 -0.53 0.00 0.00 54.58 53.23 1a2g n ASN 164 Cb 0.51 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.17 1a2g n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1a2g h ASP 165 N 0.00 0.26 -0.37 0.53 3.32 -1.99 -0.71 116.42 117.46 1a2g h ASP 165 Ca 0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1a2g h ASP 165 Cb 0.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1a2g h ASP 165 CO 0.00 0.35 0.14 -0.09 -1.72 0.00 0.00 179.24 177.92 1a2g h ARG 166 N 0.15 0.62 -0.11 3.56 2.43 -1.97 -1.60 114.38 117.46 1a2g h ARG 166 Ca 0.06 -0.09 -0.23 0.00 -0.81 0.00 0.00 59.98 58.91 1a2g h ARG 166 Cb 0.17 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1a2g h ARG 166 CO -0.01 0.53 -0.85 0.93 -1.51 0.00 0.00 179.97 179.07 1a2g h GLU 167 N 0.61 0.77 -0.12 0.20 5.08 -1.81 -2.00 114.58 117.32 1a2g h GLU 167 Ca 0.15 -0.67 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1a2g h GLU 167 Cb 0.17 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1a2g h GLU 167 CO -0.01 1.27 0.07 0.28 -1.00 0.00 0.00 179.01 179.62 1a2g h VAL 168 N 0.50 1.06 -0.31 3.13 2.07 -0.82 -1.35 116.25 120.53 1a2g h VAL 168 Ca -0.07 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1a2g h VAL 168 Cb 1.48 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1a2g h VAL 168 CO 0.17 0.05 0.12 0.58 0.02 0.00 0.00 177.57 178.52 1a2g h VAL 169 N 0.13 1.18 -0.39 2.57 2.07 -1.32 -1.09 116.25 119.40 1a2g h VAL 169 Ca 0.04 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1a2g h VAL 169 Cb 0.03 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1a2g h VAL 169 CO -0.01 0.19 0.21 0.00 0.02 0.00 0.00 177.57 177.98 1a2g h ALA 170 N 0.97 0.49 -0.37 1.67 0.00 -1.34 -2.60 119.26 118.08 1a2g h ALA 170 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1a2g h ALA 170 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1a2g h ALA 170 CO -0.01 -0.15 0.07 -0.07 0.00 0.00 0.00 179.25 179.09 1a2g h LEU 171 N 0.42 0.51 -0.28 0.00 4.07 -1.09 -1.87 115.31 117.07 1a2g h LEU 171 Ca 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1a2g h LEU 171 Cb 0.06 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1a2g h LEU 171 CO -0.10 0.53 0.00 0.80 -1.08 0.00 0.00 178.44 178.59 1a2g n MET 172 N -4.32 0.18 0.15 1.13 1.56 -0.43 -2.52 117.12 112.88 1a2g n MET 172 Ca 0.02 0.28 0.11 0.00 -0.27 0.00 0.00 57.70 57.84 1a2g n MET 172 Cb 0.20 -1.77 0.54 0.00 2.15 0.00 0.00 33.22 34.35 1a2g n MET 172 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1a2g n GLY 173 N 0.67 -0.90 0.16 -5.12 0.00 -0.70 -1.04 105.19 98.25 1a2g n GLY 173 Ca 0.04 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1a2g n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2g h ALA 174 N 2.04 1.00 0.00 4.61 0.00 -1.66 -2.55 119.26 122.70 1a2g h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a2g h ALA 174 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1a2g h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1a2g n HIS 175 N -2.35 0.00 1.29 0.00 8.25 -0.20 -1.65 115.22 120.57 1a2g n HIS 175 Ca 0.01 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.62 1a2g n HIS 175 Cb 0.20 -0.02 0.66 0.00 1.12 0.00 0.00 29.99 31.96 1a2g n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a2g n ALA 176 N -0.33 2.57 -2.82 -1.41 0.00 -0.96 -4.74 120.51 112.83 1a2g n ALA 176 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.91 1a2g n ALA 176 Cb 0.05 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.01 1a2g n ALA 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a2g s LEU 177 N -2.68 4.31 0.00 0.00 1.43 -0.66 -4.23 118.68 116.86 1a2g s LEU 177 Ca 0.24 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1a2g s LEU 177 Cb 0.20 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1a2g s LEU 177 CO 0.50 0.32 0.00 0.61 0.23 0.00 0.00 176.35 178.00 1a2g n GLY 178 N 2.61 0.68 3.64 -3.19 0.00 0.21 -4.95 105.19 104.20 1a2g n GLY 178 Ca -0.18 -0.86 0.01 0.00 0.00 0.00 0.00 46.02 44.99 1a2g n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a2g s LYS 179 N 0.00 0.52 0.15 1.61 -2.85 -1.26 -4.20 119.74 113.71 1a2g s LYS 179 Ca 0.00 -0.29 -0.07 0.00 -1.00 0.00 0.00 55.97 54.61 1a2g s LYS 179 Cb 0.00 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.89 1a2g s LYS 179 CO 0.00 -0.24 0.42 0.95 0.10 0.00 0.00 175.35 176.58 1a2g s THR 180 N -2.55 5.10 -0.10 3.79 -4.23 -0.47 -4.98 115.64 112.19 1a2g s THR 180 Ca 0.14 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1a2g s THR 180 Cb 0.04 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.27 1a2g s THR 180 CO -0.03 0.05 -0.13 -1.00 -0.54 0.00 0.00 174.62 172.98 1a2g s HIS 181 N -1.65 1.74 0.15 3.99 0.09 -1.08 -2.77 115.29 115.76 1a2g s HIS 181 Ca 0.41 -0.81 -0.20 0.00 -0.00 0.00 0.00 55.06 54.46 1a2g s HIS 181 Cb -0.12 -1.30 0.03 0.00 -0.00 0.00 0.00 32.58 31.18 1a2g s HIS 181 CO 0.23 -0.45 1.67 1.25 -0.00 0.00 0.00 174.74 177.43 1a2g h LEU 182 N 7.52 -0.45 -2.22 0.89 5.85 -1.64 -1.20 115.31 124.06 1a2g h LEU 182 Ca -0.31 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1a2g h LEU 182 Cb 1.17 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1a2g h LEU 182 CO 0.47 -0.17 -0.01 0.50 -0.34 0.00 0.00 178.44 178.89 1a2g h LYS 183 N -0.11 0.00 0.00 1.25 3.64 -1.97 0.12 116.57 119.50 1a2g h LYS 183 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1a2g h LYS 183 Cb 0.31 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1a2g h LYS 183 CO -0.32 0.01 -0.07 -0.91 -2.27 0.00 0.00 179.45 175.88 1a2g h ASN 184 N 0.00 0.00 -0.02 4.20 2.35 -1.56 -3.44 115.58 117.11 1a2g h ASN 184 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1a2g h ASN 184 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1a2g h ASN 184 CO 0.00 0.67 0.00 -1.54 -1.65 0.00 0.00 177.43 174.91 1a2g n SER 185 N -4.72 1.52 -0.26 5.81 3.41 -0.90 -4.81 113.62 113.67 1a2g n SER 185 Ca -0.04 -1.28 -0.03 0.00 -0.26 0.00 0.00 58.87 57.25 1a2g n SER 185 Cb 0.16 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1a2g n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a2g n GLY 186 N 0.28 0.63 3.29 5.00 0.00 0.41 -5.04 105.19 109.76 1a2g n GLY 186 Ca 0.03 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1a2g n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2g s TYR 187 N -1.98 1.66 -0.14 1.61 2.02 -1.26 -4.61 117.35 114.64 1a2g s TYR 187 Ca 0.00 -0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 1a2g s TYR 187 Cb 0.00 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.77 1a2g s TYR 187 CO 0.00 0.24 0.34 -2.00 -1.57 0.00 0.00 175.55 172.56 1a2g s GLU 188 N -2.64 0.31 0.00 -0.62 2.56 -1.26 -1.50 118.70 115.55 1a2g s GLU 188 Ca 0.12 0.69 0.00 0.00 0.00 0.00 0.00 54.97 55.78 1a2g s GLU 188 Cb -0.06 -0.06 0.00 0.00 2.00 0.00 0.00 34.13 36.01 1a2g s GLU 188 CO 0.05 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 1a2g n GLY 189 N 4.30 4.40 3.81 -1.50 0.00 -1.11 -4.92 105.19 110.16 1a2g n GLY 189 Ca -0.24 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1a2g n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a2g s PRO 190 N -3.17 2.42 0.04 1.61 0.04 -1.26 -1.37 135.00 133.30 1a2g s PRO 190 Ca 0.00 0.79 0.11 0.00 0.04 0.00 0.00 61.00 61.94 1a2g s PRO 190 Cb 0.00 -1.94 -0.21 0.00 0.04 0.00 0.00 34.50 32.39 1a2g s PRO 190 CO 0.00 -1.43 0.93 -1.49 0.04 0.00 0.00 177.00 175.06 1a2g h TRP 191 N -0.95 0.00 -0.79 0.56 4.06 -1.76 0.10 115.95 117.17 1a2g h TRP 191 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 1a2g h TRP 191 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1a2g h TRP 191 CO 0.53 0.96 0.00 0.41 -3.56 0.00 0.00 178.44 176.79 1a2g n GLY 192 N 1.46 1.52 0.10 1.49 0.00 -1.26 -4.56 105.19 103.94 1a2g n GLY 192 Ca -0.09 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 1a2g n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2g h ALA 193 N 2.00 0.01 -1.64 4.61 0.00 -1.96 -3.40 119.26 118.87 1a2g h ALA 193 Ca 0.00 -0.75 -0.80 0.00 0.00 0.00 0.00 54.91 53.37 1a2g h ALA 193 Cb 0.00 0.18 -0.25 0.00 0.00 0.00 0.00 17.79 17.73 1a2g h ALA 193 CO 0.00 0.37 1.12 0.00 0.00 0.00 0.00 179.25 180.74 1a2g n ALA 194 N -2.76 5.24 1.09 0.00 0.00 -1.26 -4.88 120.51 117.93 1a2g n ALA 194 Ca -0.16 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.61 1a2g n ALA 194 Cb 0.73 -2.52 0.01 0.00 0.00 0.00 0.00 19.45 17.67 1a2g n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1a2g n ASN 195 N 2.01 1.01 -0.84 0.00 2.04 -1.26 -3.49 115.26 114.73 1a2g n ASN 195 Ca 0.30 -2.03 0.00 0.00 -0.44 0.00 0.00 54.58 52.41 1a2g n ASN 195 Cb 0.34 -0.43 -0.00 0.00 -2.53 0.00 0.00 39.78 37.16 1a2g n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1a2g n ASN 196 N -0.05 0.14 -4.18 0.53 0.23 -1.26 -0.62 115.26 110.06 1a2g n ASN 196 Ca 0.01 -1.81 -0.26 0.00 -0.53 0.00 0.00 54.58 51.99 1a2g n ASN 196 Cb 0.24 -0.12 -0.16 0.00 -2.08 0.00 0.00 39.78 37.66 1a2g n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1a2g s VAL 197 N 0.00 1.52 -0.42 3.53 1.01 -1.23 -4.76 120.40 120.06 1a2g s VAL 197 Ca 0.09 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 1a2g s VAL 197 Cb 0.11 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1a2g s VAL 197 CO -0.05 0.43 0.93 0.12 0.00 0.00 0.00 175.10 176.54 1a2g s PHE 198 N -0.24 2.99 0.31 5.22 5.36 0.24 -4.88 117.98 126.97 1a2g s PHE 198 Ca 0.02 0.56 0.06 0.00 -0.96 0.00 0.00 56.93 56.61 1a2g s PHE 198 Cb -0.09 -3.84 -0.03 0.00 -0.34 0.00 0.00 43.02 38.71 1a2g s PHE 198 CO 0.01 -0.98 0.26 0.95 -1.46 0.00 0.00 175.22 174.00 1a2g s THR 199 N 3.65 0.00 -0.53 0.12 -4.23 -1.26 -4.62 115.64 108.76 1a2g s THR 199 Ca 0.38 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1a2g s THR 199 Cb -0.11 -2.50 0.15 0.00 1.34 0.00 0.00 72.50 71.38 1a2g s THR 199 CO 0.23 0.00 0.93 -0.46 -0.54 0.00 0.00 174.62 174.79 1a2g n ASN 200 N -1.35 2.46 -0.22 3.99 6.94 -1.26 -4.48 115.26 121.33 1a2g n ASN 200 Ca 0.06 -2.25 0.04 0.00 -0.02 0.00 0.00 54.58 52.42 1a2g n ASN 200 Cb 0.63 -0.55 0.30 0.00 -2.36 0.00 0.00 39.78 37.80 1a2g n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1a2g h GLU 201 N 0.56 0.86 -0.89 -3.83 4.81 -1.95 -1.54 114.58 112.59 1a2g h GLU 201 Ca 0.05 -0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1a2g h GLU 201 Cb 1.04 -0.19 -0.10 0.00 0.63 0.00 0.00 28.75 30.13 1a2g h GLU 201 CO 0.15 0.57 0.47 0.35 -0.73 0.00 0.00 179.01 179.82 1a2g h PHE 202 N 0.88 0.82 -0.04 0.92 3.57 -1.85 -0.27 116.94 120.96 1a2g h PHE 202 Ca 0.32 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 1a2g h PHE 202 Cb 0.15 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1a2g h PHE 202 CO -0.00 0.16 -0.24 1.88 -2.23 0.00 0.00 178.31 177.88 1a2g h TYR 203 N 0.62 0.31 -0.43 0.41 0.05 -1.64 -2.19 116.97 114.11 1a2g h TYR 203 Ca 0.50 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 59.17 1a2g h TYR 203 Cb 0.76 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.42 1a2g h TYR 203 CO -0.08 0.87 0.21 -0.07 -1.05 0.00 0.00 178.16 178.04 1a2g h LEU 204 N -0.34 0.30 -0.90 3.88 3.38 -1.34 -1.43 115.31 118.87 1a2g h LEU 204 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1a2g h LEU 204 Cb 0.91 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1a2g h LEU 204 CO 0.05 0.22 0.21 0.78 0.09 0.00 0.00 178.44 179.78 1a2g h ASN 205 N 0.43 0.94 -0.60 -0.43 4.21 -1.10 0.16 115.58 119.20 1a2g h ASN 205 Ca 0.19 -0.16 -0.06 0.00 1.21 0.00 0.00 56.30 57.47 1a2g h ASN 205 Cb 0.10 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.02 1a2g h ASN 205 CO -0.13 0.88 0.14 0.25 -1.29 0.00 0.00 177.43 177.28 1a2g h LEU 206 N 0.98 0.94 0.00 1.61 5.85 -1.02 -2.43 115.31 121.25 1a2g h LEU 206 Ca 0.22 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1a2g h LEU 206 Cb 0.28 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1a2g h LEU 206 CO -0.01 0.92 -0.72 -0.07 -0.34 0.00 0.00 178.44 178.22 1a2g h LEU 207 N 0.95 0.00 -0.17 2.25 3.38 -0.90 -3.40 115.31 117.42 1a2g h LEU 207 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1a2g h LEU 207 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1a2g h LEU 207 CO 0.00 0.41 -0.35 0.59 0.09 0.00 0.00 178.44 179.18 1a2g n ASN 208 N -3.07 0.57 -4.89 -0.43 5.03 0.55 -5.01 115.26 108.00 1a2g n ASN 208 Ca -0.01 -0.79 -0.31 0.00 0.87 0.00 0.00 54.58 54.35 1a2g n ASN 208 Cb 0.72 0.88 -0.04 0.00 -1.02 0.00 0.00 39.78 40.31 1a2g n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1a2g s GLU 209 N -1.68 3.68 -0.73 3.52 0.41 -0.92 -5.02 118.70 117.95 1a2g s GLU 209 Ca 0.04 0.04 -0.22 0.00 -0.41 0.00 0.00 54.97 54.42 1a2g s GLU 209 Cb 0.07 -2.73 0.08 0.00 -1.78 0.00 0.00 34.13 29.77 1a2g s GLU 209 CO 0.32 0.35 1.02 0.34 -0.49 0.00 0.00 175.26 176.79 1a2g s ASP 210 N -2.65 6.29 -0.08 -0.19 2.15 -1.26 -4.99 116.67 115.94 1a2g s ASP 210 Ca 0.44 -1.26 -0.18 0.00 0.43 0.00 0.00 52.55 51.98 1a2g s ASP 210 Cb -0.11 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 1a2g s ASP 210 CO 0.25 -1.35 0.48 0.26 -0.17 0.00 0.00 175.17 174.64 1a2g s TRP 211 N 3.76 3.58 -0.11 -5.34 0.52 -1.26 -3.65 118.94 116.44 1a2g s TRP 211 Ca 0.25 0.95 -0.00 0.00 0.02 0.00 0.00 56.10 57.33 1a2g s TRP 211 Cb -0.14 -2.51 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 1a2g s TRP 211 CO 0.05 0.29 -0.11 0.21 0.02 0.00 0.00 176.95 177.41 1a2g s LYS 212 N 0.15 3.20 -0.05 4.98 2.20 0.62 -4.92 119.74 125.93 1a2g s LYS 212 Ca 0.26 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1a2g s LYS 212 Cb -0.16 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1a2g s LYS 212 CO 0.12 0.35 0.98 -1.17 -0.36 0.00 0.00 175.35 175.27 1a2g s LEU 213 N 0.01 4.31 0.06 5.43 2.96 -1.26 -0.77 118.68 129.42 1a2g s LEU 213 Ca -0.03 1.57 -0.05 0.00 -0.22 0.00 0.00 54.13 55.41 1a2g s LEU 213 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1a2g s LEU 213 CO 0.04 -0.34 0.09 -1.61 -1.32 0.00 0.00 176.35 173.20 1a2g s GLU 214 N 1.48 0.70 0.33 1.98 2.02 -0.21 -4.95 118.70 120.06 1a2g s GLU 214 Ca 0.50 -1.02 -0.18 0.00 0.02 0.00 0.00 54.97 54.29 1a2g s GLU 214 Cb -0.20 0.27 -0.09 0.00 0.10 0.00 0.00 34.13 34.21 1a2g s GLU 214 CO 0.23 -0.18 0.79 0.15 0.02 0.00 0.00 175.26 176.27 1a2g s LYS 215 N -3.65 4.12 0.31 1.61 1.02 -1.26 -1.24 119.74 120.65 1a2g s LYS 215 Ca 0.04 0.83 0.04 0.00 0.02 0.00 0.00 55.97 56.90 1a2g s LYS 215 Cb 0.05 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1a2g s LYS 215 CO -0.09 0.16 0.37 0.27 -0.92 0.00 0.00 175.35 175.13 1a2g n ASN 216 N -0.21 1.37 0.19 2.83 0.23 -0.18 -4.92 115.26 114.57 1a2g n ASN 216 Ca 0.03 -1.88 0.14 0.00 -0.53 0.00 0.00 54.58 52.34 1a2g n ASN 216 Cb 0.53 -0.17 0.65 0.00 -2.08 0.00 0.00 39.78 38.71 1a2g n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1a2g h ASP 217 N 0.14 0.00 -0.11 0.53 3.32 -1.93 -1.56 116.42 116.81 1a2g h ASP 217 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1a2g h ASP 217 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1a2g h ASP 217 CO 0.23 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 1a2g n ALA 218 N -1.85 2.55 -1.55 3.45 0.00 -1.26 -4.92 120.51 116.93 1a2g n ALA 218 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 1a2g n ALA 218 Cb 0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1a2g n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a2g n ASN 219 N 0.03 -3.97 -4.81 0.00 5.03 -0.59 -5.04 115.26 105.91 1a2g n ASN 219 Ca 0.16 0.18 -0.27 0.00 0.87 0.00 0.00 54.58 55.51 1a2g n ASN 219 Cb 0.27 -2.61 -0.05 0.00 -1.02 0.00 0.00 39.78 36.37 1a2g n ASN 219 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1a2g s ASN 220 N -2.79 5.63 0.11 6.41 0.02 -1.26 -4.86 114.94 118.19 1a2g s ASN 220 Ca 0.00 -0.06 -0.22 0.00 -1.02 0.00 0.00 52.86 51.57 1a2g s ASN 220 Cb 0.00 -1.51 -0.07 0.00 0.02 0.00 0.00 41.25 39.69 1a2g s ASN 220 CO 0.00 0.10 0.65 -1.61 0.02 0.00 0.00 177.10 176.26 1a2g s GLU 221 N -2.92 4.34 0.07 -0.60 2.02 -1.26 -1.01 118.70 119.35 1a2g s GLU 221 Ca 0.31 0.90 -0.07 0.00 0.02 0.00 0.00 54.97 56.13 1a2g s GLU 221 Cb -0.11 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 1a2g s GLU 221 CO 0.24 0.61 0.13 1.14 0.02 0.00 0.00 175.26 177.40 1a2g s GLN 222 N -1.15 0.76 -0.53 1.61 -2.07 -0.37 -4.53 119.66 113.37 1a2g s GLN 222 Ca 0.32 -1.00 -0.19 0.00 -1.82 0.00 0.00 55.36 52.67 1a2g s GLN 222 Cb -0.21 0.30 0.07 0.00 -1.09 0.00 0.00 33.01 32.08 1a2g s GLN 222 CO 0.22 -0.22 0.67 -1.58 -1.32 0.00 0.00 175.29 173.06 1a2g s TRP 223 N -3.74 3.01 -0.13 9.60 0.52 -0.54 -1.04 118.94 126.62 1a2g s TRP 223 Ca 0.04 -0.62 -0.12 0.00 0.02 0.00 0.00 56.10 55.43 1a2g s TRP 223 Cb 0.05 -3.70 -0.05 0.00 -1.15 0.00 0.00 33.47 28.62 1a2g s TRP 223 CO -0.10 -1.13 0.25 -0.51 0.02 0.00 0.00 176.95 175.48 1a2g s ASP 224 N 2.96 6.45 0.33 2.95 1.01 0.05 -1.07 116.67 129.34 1a2g s ASP 224 Ca 0.15 0.53 0.07 0.00 0.71 0.00 0.00 52.55 54.01 1a2g s ASP 224 Cb -0.20 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1a2g s ASP 224 CO 0.11 0.21 0.41 -0.94 0.21 0.00 0.00 175.17 175.17 1a2g s SER 225 N -0.12 5.77 0.44 0.27 1.04 -0.06 -0.27 113.70 120.77 1a2g s SER 225 Ca 0.16 -0.27 0.10 0.00 0.48 0.00 0.00 55.95 56.42 1a2g s SER 225 Cb -0.13 -1.18 0.98 0.00 0.10 0.00 0.00 66.02 65.79 1a2g s SER 225 CO 0.04 -0.39 2.08 0.11 0.98 0.00 0.00 173.24 176.06 1a2g h LYS 226 N 1.02 0.36 0.00 4.02 6.56 -1.89 -2.03 116.57 124.61 1a2g h LYS 226 Ca -0.46 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1a2g h LYS 226 Cb 1.25 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1a2g h LYS 226 CO 0.55 0.25 0.00 0.43 -2.06 0.00 0.00 179.45 178.62 1a2g n SER 227 N -4.48 0.00 0.00 0.86 7.64 -1.26 -4.85 113.62 111.52 1a2g n SER 227 Ca 0.01 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1a2g n SER 227 Cb 0.08 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1a2g n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a2g n GLY 228 N 0.02 0.73 3.93 0.23 0.00 -0.76 -5.07 105.19 104.28 1a2g n GLY 228 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1a2g n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2g s TYR 229 N -2.07 3.49 0.15 1.61 2.02 -1.26 -4.61 117.35 116.68 1a2g s TYR 229 Ca 0.00 0.37 0.06 0.00 -0.37 0.00 0.00 57.07 57.12 1a2g s TYR 229 Cb 0.00 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 1a2g s TYR 229 CO 0.00 0.24 -0.12 0.00 -1.57 0.00 0.00 175.55 174.10 1a2g s MET 230 N -3.84 1.11 0.03 -0.62 0.23 0.36 -0.88 119.30 115.68 1a2g s MET 230 Ca 0.40 -1.43 -0.07 0.00 -1.03 0.00 0.00 55.69 53.56 1a2g s MET 230 Cb -0.10 -0.80 -0.00 0.00 -1.53 0.00 0.00 34.83 32.39 1a2g s MET 230 CO 0.32 0.12 0.13 -1.01 -2.03 0.00 0.00 175.02 172.56 1a2g s HIS 231 N -2.96 0.11 0.58 3.16 3.76 -0.24 -4.36 115.29 115.35 1a2g s HIS 231 Ca 0.16 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.61 1a2g s HIS 231 Cb -0.00 -0.08 -0.05 0.00 1.11 0.00 0.00 32.58 33.55 1a2g s HIS 231 CO 0.03 -0.35 1.02 -0.51 -0.85 0.00 0.00 174.74 174.07 1a2g s LEU 232 N -1.84 3.44 0.26 0.89 1.43 -1.26 -1.46 118.68 120.13 1a2g s LEU 232 Ca -0.09 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.54 1a2g s LEU 232 Cb -0.04 -4.50 0.54 0.00 0.03 0.00 0.00 46.19 42.23 1a2g s LEU 232 CO -0.02 -0.84 1.66 -0.65 0.23 0.00 0.00 176.35 176.73 1a2g h PRO 233 N 0.31 0.21 -0.12 1.29 0.11 -1.79 -0.75 132.00 131.26 1a2g h PRO 233 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1a2g h PRO 233 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1a2g h PRO 233 CO 0.61 0.14 -0.12 1.79 -0.21 0.00 0.00 178.00 180.20 1a2g h THR 234 N 0.22 1.16 -0.14 -1.15 1.35 -1.25 0.08 112.91 113.19 1a2g h THR 234 Ca 0.46 -0.69 -0.11 0.00 -0.55 0.00 0.00 66.41 65.52 1a2g h THR 234 Cb 0.85 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1a2g h THR 234 CO -0.59 0.21 -0.36 0.44 -0.25 0.00 0.00 175.52 174.97 1a2g h ASP 235 N 0.17 0.55 -0.99 5.36 3.32 -1.49 -3.23 116.42 120.12 1a2g h ASP 235 Ca 0.04 -0.58 0.08 0.00 0.02 0.00 0.00 57.03 56.58 1a2g h ASP 235 Cb 0.33 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 1a2g h ASP 235 CO 0.02 1.04 0.64 0.22 -1.72 0.00 0.00 179.24 179.44 1a2g h TYR 236 N 0.09 1.17 -1.07 4.55 3.20 -0.80 -2.05 116.97 122.05 1a2g h TYR 236 Ca -0.01 0.03 0.41 0.00 3.14 0.00 0.00 58.73 62.31 1a2g h TYR 236 Cb 0.97 -0.38 -0.15 0.00 1.54 0.00 0.00 36.73 38.71 1a2g h TYR 236 CO 0.10 0.58 0.63 0.43 -1.64 0.00 0.00 178.16 178.26 1a2g n SER 237 N -4.52 0.28 0.01 -2.11 7.64 -0.02 -1.19 113.62 113.70 1a2g n SER 237 Ca 0.16 1.46 0.06 0.00 1.01 0.00 0.00 58.87 61.56 1a2g n SER 237 Cb 0.22 -0.71 0.28 0.00 -1.01 0.00 0.00 64.21 62.99 1a2g n SER 237 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1a2g n LEU 238 N -4.91 0.05 -0.00 -3.43 4.77 -0.77 -1.62 117.00 111.09 1a2g n LEU 238 Ca 0.36 0.51 0.05 0.00 -0.03 0.00 0.00 56.01 56.91 1a2g n LEU 238 Cb 1.30 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1a2g n LEU 238 CO 0.07 -0.31 -0.12 2.30 -1.33 0.00 0.00 177.39 178.00 1a2g n ILE 239 N -1.56 0.00 0.18 -0.08 -5.35 -0.34 -2.15 119.36 110.07 1a2g n ILE 239 Ca 0.03 -0.24 0.07 0.00 -0.27 0.00 0.00 62.75 62.34 1a2g n ILE 239 Cb 0.15 0.89 0.12 0.00 -1.74 0.00 0.00 39.64 39.05 1a2g n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1a2g h GLN 240 N 0.00 0.00 -5.58 6.28 4.20 -1.24 -3.45 115.11 115.32 1a2g h GLN 240 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1a2g h GLN 240 Cb 0.30 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.98 1a2g h GLN 240 CO 0.00 0.27 -0.25 0.34 -0.67 0.00 0.00 178.83 178.51 1a2g s ASP 241 N -6.33 6.53 0.28 1.46 -1.08 -0.80 -5.01 116.67 111.72 1a2g s ASP 241 Ca 0.05 0.62 0.02 0.00 -0.52 0.00 0.00 52.55 52.73 1a2g s ASP 241 Cb 0.07 -2.22 0.41 0.00 -1.46 0.00 0.00 42.92 39.71 1a2g s ASP 241 CO 0.70 0.06 1.72 1.55 0.52 0.00 0.00 175.17 179.73 1a2g h PRO 242 N 6.71 0.49 -0.02 4.34 0.13 -1.92 -0.45 132.00 141.28 1a2g h PRO 242 Ca -0.41 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.53 1a2g h PRO 242 Cb 1.17 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1a2g h PRO 242 CO 0.76 0.70 -0.02 0.87 -0.23 0.00 0.00 178.00 180.08 1a2g h LYS 243 N 0.44 0.04 -0.52 0.86 1.57 -1.95 -2.96 116.57 114.04 1a2g h LYS 243 Ca 0.07 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1a2g h LYS 243 Cb 0.66 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 1a2g h LYS 243 CO 0.05 0.50 0.29 1.88 -0.57 0.00 0.00 179.45 181.60 1a2g h TYR 244 N -0.42 0.55 -0.99 -1.35 0.05 -1.79 -2.92 116.97 110.10 1a2g h TYR 244 Ca 0.00 0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.91 1a2g h TYR 244 Cb 0.49 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 37.98 1a2g h TYR 244 CO 0.09 0.30 0.63 1.25 -1.05 0.00 0.00 178.16 179.38 1a2g h LEU 245 N 0.58 0.94 -1.46 3.88 5.85 -0.55 -0.25 115.31 124.30 1a2g h LEU 245 Ca 0.22 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 1a2g h LEU 245 Cb 0.06 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1a2g h LEU 245 CO -0.12 0.52 -0.23 0.77 -0.34 0.00 0.00 178.44 179.04 1a2g h SER 246 N 1.02 0.00 0.01 1.25 4.64 -1.34 -2.55 113.55 116.59 1a2g h SER 246 Ca 0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.75 1a2g h SER 246 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1a2g h SER 246 CO -0.24 0.23 -0.18 0.40 -0.87 0.00 0.00 176.83 176.17 1a2g h ILE 247 N 0.00 1.63 -0.83 0.95 2.04 -1.15 -2.67 117.51 117.48 1a2g h ILE 247 Ca -0.00 -2.09 0.15 0.00 1.00 0.00 0.00 64.86 63.92 1a2g h ILE 247 Cb 0.57 3.01 -0.15 0.00 -0.74 0.00 0.00 36.82 39.51 1a2g h ILE 247 CO 0.03 0.56 -0.29 0.58 0.00 0.00 0.00 178.15 179.03 1a2g h VAL 248 N -0.69 0.11 -0.87 1.67 2.07 -1.27 0.32 116.25 117.60 1a2g h VAL 248 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1a2g h VAL 248 Cb 1.02 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1a2g h VAL 248 CO 0.04 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.30 1a2g h LYS 249 N -0.04 0.84 -0.57 1.57 1.57 -1.48 -0.24 116.57 118.21 1a2g h LYS 249 Ca 0.36 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1a2g h LYS 249 Cb 0.60 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1a2g h LYS 249 CO -0.87 0.55 0.05 1.49 -0.57 0.00 0.00 179.45 180.10 1a2g h GLU 250 N 0.86 0.97 0.06 3.15 4.81 -0.60 -1.85 114.58 121.98 1a2g h GLU 250 Ca 0.40 -0.29 -0.25 0.00 -0.13 0.00 0.00 59.36 59.09 1a2g h GLU 250 Cb 0.39 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1a2g h GLU 250 CO -0.16 0.95 -1.07 1.88 -0.73 0.00 0.00 179.01 179.88 1a2g h TYR 251 N 0.86 0.60 -0.97 0.92 0.05 -0.49 -1.19 116.97 116.76 1a2g h TYR 251 Ca 0.17 -0.36 0.07 0.00 0.05 0.00 0.00 58.73 58.65 1a2g h TYR 251 Cb 0.48 -0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.10 1a2g h TYR 251 CO 0.04 1.22 0.62 0.00 -1.05 0.00 0.00 178.16 178.98 1a2g h ALA 252 N 0.66 1.34 0.00 3.88 0.00 -1.04 -2.75 119.26 121.34 1a2g h ALA 252 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a2g h ALA 252 Cb 1.74 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1a2g h ALA 252 CO 0.18 0.39 -0.47 -0.91 0.00 0.00 0.00 179.25 178.44 1a2g h ASN 253 N 1.11 0.00 -2.32 0.00 2.35 -1.20 -3.43 115.58 112.09 1a2g h ASN 253 Ca 0.42 -0.15 -0.46 0.00 -0.55 0.00 0.00 56.30 55.56 1a2g h ASN 253 Cb 0.18 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.20 1a2g h ASN 253 CO -0.18 0.08 -0.75 -0.62 -1.65 0.00 0.00 177.43 174.30 1a2g s ASP 254 N -4.38 2.21 0.37 5.81 -1.08 -0.46 -5.00 116.67 114.13 1a2g s ASP 254 Ca 0.07 -1.66 0.08 0.00 -0.52 0.00 0.00 52.55 50.52 1a2g s ASP 254 Cb 0.13 0.08 0.72 0.00 -1.46 0.00 0.00 42.92 42.39 1a2g s ASP 254 CO 0.69 -0.32 1.90 -0.61 0.52 0.00 0.00 175.17 177.35 1a2g h GLN 255 N 7.37 0.33 -0.52 4.34 4.15 -1.83 -2.15 115.11 126.80 1a2g h GLN 255 Ca -0.00 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1a2g h GLN 255 Cb 1.02 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 1a2g h GLN 255 CO 0.27 0.44 0.17 -0.44 -1.93 0.00 0.00 178.83 177.33 1a2g h ASP 256 N 0.32 0.75 -0.43 -0.69 3.32 -1.94 0.24 116.42 117.98 1a2g h ASP 256 Ca 0.07 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1a2g h ASP 256 Cb 0.36 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1a2g h ASP 256 CO 0.02 0.75 0.21 0.50 -1.72 0.00 0.00 179.24 179.00 1a2g h LYS 257 N 0.70 0.41 -0.14 3.56 1.63 -1.91 -1.01 116.57 119.82 1a2g h LYS 257 Ca 0.17 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 1a2g h LYS 257 Cb 0.26 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1a2g h LYS 257 CO -0.01 0.27 -0.07 0.35 -3.45 0.00 0.00 179.45 176.55 1a2g h PHE 258 N 0.43 -0.16 -0.55 1.91 3.57 -1.09 -1.32 116.94 119.73 1a2g h PHE 258 Ca 0.18 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.77 1a2g h PHE 258 Cb 0.09 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1a2g h PHE 258 CO -0.10 -0.11 0.21 0.74 -2.23 0.00 0.00 178.31 176.82 1a2g h PHE 259 N -0.05 0.37 0.04 0.41 -1.00 -0.54 0.61 116.94 116.78 1a2g h PHE 259 Ca 0.08 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.90 1a2g h PHE 259 Cb 0.17 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1a2g h PHE 259 CO -0.20 0.12 -0.10 0.87 -1.61 0.00 0.00 178.31 177.38 1a2g h LYS 260 N 0.40 -0.19 -0.25 1.51 6.56 -1.10 -1.69 116.57 121.81 1a2g h LYS 260 Ca 0.26 0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.74 1a2g h LYS 260 Cb 0.29 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 1a2g h LYS 260 CO -0.26 -0.13 -0.40 -0.44 -2.06 0.00 0.00 179.45 176.17 1a2g h ASP 261 N -0.20 0.61 -0.57 0.86 3.32 -1.13 -2.50 116.42 116.81 1a2g h ASP 261 Ca 0.03 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1a2g h ASP 261 Cb 0.22 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1a2g h ASP 261 CO -0.07 0.94 0.25 0.15 -1.72 0.00 0.00 179.24 178.79 1a2g h PHE 262 N 0.48 0.84 0.22 4.55 3.57 -0.84 -1.45 116.94 124.31 1a2g h PHE 262 Ca 0.04 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1a2g h PHE 262 Cb 0.90 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1a2g h PHE 262 CO 0.04 0.66 -0.21 1.03 -2.23 0.00 0.00 178.31 177.59 1a2g h SER 263 N 0.78 -0.57 -0.30 0.41 0.87 -1.15 1.00 113.55 114.59 1a2g h SER 263 Ca 0.19 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 1a2g h SER 263 Cb 0.15 0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1a2g h SER 263 CO -0.02 -0.32 0.02 0.11 -0.53 0.00 0.00 176.83 176.10 1a2g h LYS 264 N -0.46 0.12 -0.04 2.24 1.57 -1.44 -2.39 116.57 116.17 1a2g h LYS 264 Ca -0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1a2g h LYS 264 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1a2g h LYS 264 CO -0.05 0.08 -0.52 0.00 -0.57 0.00 0.00 179.45 178.39 1a2g h ALA 265 N 1.24 1.07 -0.06 3.86 0.00 -1.08 -1.96 119.26 122.33 1a2g h ALA 265 Ca 0.14 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 1a2g h ALA 265 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1a2g h ALA 265 CO -0.22 0.66 -0.74 0.35 0.00 0.00 0.00 179.25 179.30 1a2g h PHE 266 N 0.08 0.86 -0.42 0.00 3.57 -0.69 -1.30 116.94 119.03 1a2g h PHE 266 Ca -0.00 -0.42 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1a2g h PHE 266 Cb 0.94 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1a2g h PHE 266 CO 0.01 1.24 0.26 1.49 -2.23 0.00 0.00 178.31 179.08 1a2g h GLU 267 N 0.23 0.52 -0.80 1.11 4.81 -1.42 -1.09 114.58 117.93 1a2g h GLU 267 Ca -0.08 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1a2g h GLU 267 Cb 1.40 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1a2g h GLU 267 CO 0.15 0.34 0.48 -0.22 -0.73 0.00 0.00 179.01 179.03 1a2g h LYS 268 N 0.54 0.84 -0.63 1.92 3.64 -1.33 -0.05 116.57 121.49 1a2g h LYS 268 Ca 0.16 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1a2g h LYS 268 Cb -0.02 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 1a2g h LYS 268 CO -0.06 0.55 0.40 1.25 -2.27 0.00 0.00 179.45 179.33 1a2g h LEU 269 N 0.86 0.68 -0.85 5.20 5.85 -0.94 -1.58 115.31 124.54 1a2g h LEU 269 Ca 0.36 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 1a2g h LEU 269 Cb 0.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1a2g h LEU 269 CO -0.19 0.48 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.92 1a2g h LEU 270 N 0.81 0.00 -0.89 2.25 3.38 -0.38 -3.26 115.31 117.22 1a2g h LEU 270 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1a2g h LEU 270 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1a2g h LEU 270 CO -0.07 0.40 -0.25 -0.62 0.09 0.00 0.00 178.44 177.99 1a2g n GLU 271 N -3.52 1.27 -1.75 1.13 1.02 -0.11 -4.64 120.64 114.03 1a2g n GLU 271 Ca -0.00 -0.89 -0.41 0.00 -0.02 0.00 0.00 57.16 55.83 1a2g n GLU 271 Cb 0.53 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 1a2g n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a2g n ASN 272 N -0.09 3.94 0.00 1.62 3.02 -0.61 -2.39 115.26 120.75 1a2g n ASN 272 Ca 0.13 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.83 1a2g n ASN 272 Cb 0.41 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 1a2g n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a2g n GLY 273 N 2.06 0.78 3.25 7.41 0.00 -1.26 -4.48 105.19 112.95 1a2g n GLY 273 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1a2g n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a2g s ILE 274 N -2.87 2.43 -0.18 -0.61 1.01 -1.00 -4.27 121.20 115.69 1a2g s ILE 274 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1a2g s ILE 274 Cb 0.00 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1a2g s ILE 274 CO 0.00 0.54 0.39 -0.89 0.00 0.00 0.00 174.94 174.97 1a2g s THR 275 N 0.59 5.22 -0.29 2.92 2.01 0.31 -4.96 115.64 121.44 1a2g s THR 275 Ca -0.11 0.71 -0.08 0.00 0.31 0.00 0.00 61.69 62.52 1a2g s THR 275 Cb -0.16 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1a2g s THR 275 CO 0.03 0.29 0.11 -0.36 -0.69 0.00 0.00 174.62 174.00 1a2g s PHE 276 N 1.05 3.14 0.56 4.92 0.08 -1.26 -0.88 117.98 125.59 1a2g s PHE 276 Ca 0.19 -0.61 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 1a2g s PHE 276 Cb -0.14 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 39.97 1a2g s PHE 276 CO 0.07 -0.45 1.21 -2.14 -0.10 0.00 0.00 175.22 173.82 1a2g s PRO 277 N 1.59 3.18 0.00 0.24 0.02 -1.26 -4.91 135.00 133.86 1a2g s PRO 277 Ca 0.05 1.85 0.00 0.00 0.02 0.00 0.00 61.00 62.92 1a2g s PRO 277 Cb -0.16 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1a2g s PRO 277 CO 0.05 -1.05 0.94 1.17 -0.33 0.00 0.00 177.00 177.78 1a2g n LYS 278 N -1.28 0.99 0.16 5.54 4.81 -1.26 -1.10 118.16 126.01 1a2g n LYS 278 Ca 0.12 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.68 1a2g n LYS 278 Cb 0.49 -1.05 0.14 0.00 0.02 0.00 0.00 35.03 34.63 1a2g n LYS 278 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1a2g h ASP 279 N 0.00 0.00 -3.19 3.14 3.04 -2.03 -3.47 116.42 113.91 1a2g h ASP 279 Ca 0.00 -0.02 -0.58 0.00 -3.24 0.00 0.00 57.03 53.19 1a2g h ASP 279 Cb 0.05 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 38.47 1a2g h ASP 279 CO 0.00 0.01 0.23 0.00 -2.04 0.00 0.00 179.24 177.44 1a2g n ALA 280 N -2.07 0.41 -1.61 4.15 0.00 -0.26 -4.95 120.51 116.17 1a2g n ALA 280 Ca 0.03 0.22 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 1a2g n ALA 280 Cb 0.52 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.92 1a2g n ALA 280 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a2g s PRO 281 N -2.10 2.41 0.92 0.00 0.04 -1.26 -5.00 135.00 130.01 1a2g s PRO 281 Ca 0.64 1.98 -0.13 0.00 0.04 0.00 0.00 61.00 63.53 1a2g s PRO 281 Cb -0.54 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1a2g s PRO 281 CO 0.56 -1.68 0.44 0.43 0.04 0.00 0.00 177.00 176.79 1a2g n SER 282 N -2.15 -1.92 -4.75 6.66 7.64 -1.26 -4.94 113.62 112.91 1a2g n SER 282 Ca 0.15 0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.98 1a2g n SER 282 Cb 0.49 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 1a2g n SER 282 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a2g n PRO 283 N -1.61 2.73 -2.56 1.43 -0.04 -1.26 -4.90 135.00 128.79 1a2g n PRO 283 Ca 0.07 0.97 -0.41 0.00 -0.04 0.00 0.00 63.50 64.10 1a2g n PRO 283 Cb 0.53 -2.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.18 1a2g n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a2g s PHE 284 N 0.08 3.67 -0.45 0.54 0.08 0.13 -4.73 117.98 117.31 1a2g s PHE 284 Ca 0.65 1.70 -0.09 0.00 0.12 0.00 0.00 56.93 59.31 1a2g s PHE 284 Cb -0.49 -3.21 0.10 0.00 -0.57 0.00 0.00 43.02 38.85 1a2g s PHE 284 CO 0.47 -0.35 0.30 0.42 -0.10 0.00 0.00 175.22 175.96 1a2g s ILE 285 N -0.66 4.17 0.23 0.64 -1.09 -1.26 -1.52 121.20 121.70 1a2g s ILE 285 Ca 0.46 -1.63 -0.30 0.00 -2.23 0.00 0.00 60.65 56.95 1a2g s ILE 285 Cb -0.29 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 1a2g s ILE 285 CO 0.36 -0.65 1.11 -0.36 -1.23 0.00 0.00 174.94 174.16 1a2g s PHE 286 N 1.38 3.58 0.38 3.97 0.08 -1.26 -5.02 117.98 121.08 1a2g s PHE 286 Ca 0.05 1.63 -0.25 0.00 0.12 0.00 0.00 56.93 58.47 1a2g s PHE 286 Cb -0.25 -3.29 -0.09 0.00 -0.57 0.00 0.00 43.02 38.82 1a2g s PHE 286 CO 0.00 -0.62 1.10 0.15 -0.10 0.00 0.00 175.22 175.74 1a2g s LYS 287 N -0.86 4.22 0.68 0.44 1.02 -1.26 -5.01 119.74 118.97 1a2g s LYS 287 Ca 0.47 1.67 -0.12 0.00 0.02 0.00 0.00 55.97 58.02 1a2g s LYS 287 Cb -0.31 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1a2g s LYS 287 CO 0.38 -0.12 1.06 0.95 -0.92 0.00 0.00 175.35 176.69 1a2g s THR 288 N -1.48 3.97 0.28 2.17 -4.23 -1.26 -4.91 115.64 110.17 1a2g s THR 288 Ca 0.55 0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 61.75 1a2g s THR 288 Cb -0.27 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.50 1a2g s THR 288 CO 0.34 -0.78 1.64 -0.07 -0.54 0.00 0.00 174.62 175.20 1a2g h LEU 289 N -0.50 -0.14 -1.05 4.79 3.38 -1.97 -1.25 115.31 118.57 1a2g h LEU 289 Ca -0.44 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1a2g h LEU 289 Cb 1.21 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1a2g h LEU 289 CO 0.57 -0.17 0.11 -0.08 0.09 0.00 0.00 178.44 178.95 1a2g h GLU 290 N 0.16 0.79 0.00 1.13 4.81 -1.94 -0.01 114.58 119.52 1a2g h GLU 290 Ca 0.51 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1a2g h GLU 290 Cb 1.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1a2g h GLU 290 CO -0.68 0.73 -0.32 0.93 -0.73 0.00 0.00 179.01 178.94 1a2g h GLU 291 N 0.76 0.00 -0.01 1.92 5.08 -1.61 -2.86 114.58 117.86 1a2g h GLU 291 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1a2g h GLU 291 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1a2g h GLU 291 CO 0.00 0.32 -0.28 1.04 -1.00 0.00 0.00 179.01 179.09 1a2g n GLN 292 N -3.64 0.86 -1.95 2.33 6.02 -0.44 -4.95 117.38 115.60 1a2g n GLN 292 Ca -0.01 -0.52 -0.08 0.00 -0.01 0.00 0.00 57.00 56.38 1a2g n GLN 292 Cb 0.44 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 1a2g n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a2g n GLY 293 N 1.35 0.25 0.51 1.08 0.00 -0.16 -5.08 105.19 103.14 1a2g n GLY 293 Ca 0.12 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.63 1a2g n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36