#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3r h SER 57 N 0.00 -0.06 -0.94 6.41 0.87 -2.06 -3.06 113.55 114.71 1s3r h SER 57 Ca 0.00 -0.53 0.16 0.00 -1.23 0.00 0.00 61.79 60.19 1s3r h SER 57 Cb 0.00 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 61.89 1s3r h SER 57 CO 0.00 0.53 0.60 -0.33 -0.53 0.00 0.00 176.83 177.10 1s3r h GLU 58 N -0.69 0.69 -0.52 2.24 4.39 -2.05 -0.59 114.58 118.06 1s3r h GLU 58 Ca -0.01 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1s3r h GLU 58 Cb 0.59 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1s3r h GLU 58 CO 0.01 0.46 -0.06 0.00 -1.16 0.00 0.00 179.01 178.26 1s3r h ALA 59 N 1.60 0.92 -0.65 3.43 0.00 -2.00 -2.08 119.26 120.47 1s3r h ALA 59 Ca 0.49 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1s3r h ALA 59 Cb 0.80 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1s3r h ALA 59 CO -0.25 0.63 0.19 0.00 0.00 0.00 0.00 179.25 179.82 1s3r h ALA 60 N 1.09 0.85 -0.18 0.00 0.00 -1.03 -2.58 119.26 117.41 1s3r h ALA 60 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s3r h ALA 60 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s3r h ALA 60 CO 0.04 0.54 0.04 0.87 0.00 0.00 0.00 179.25 180.73 1s3r h LYS 61 N 0.94 0.29 -0.60 0.00 1.57 -1.24 -2.89 116.57 114.64 1s3r h LYS 61 Ca 0.21 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1s3r h LYS 61 Cb 0.31 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1s3r h LYS 61 CO -0.00 0.43 0.37 -0.22 -0.57 0.00 0.00 179.45 179.45 1s3r h LYS 62 N 0.09 0.70 -0.09 3.15 3.64 -1.37 0.17 116.57 122.87 1s3r h LYS 62 Ca 0.06 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1s3r h LYS 62 Cb 0.27 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1s3r h LYS 62 CO 0.00 0.46 -0.10 0.00 -2.27 0.00 0.00 179.45 177.54 1s3r h ALA 63 N 1.26 -0.04 -0.03 5.00 0.00 -1.44 0.22 119.26 124.23 1s3r h ALA 63 Ca 0.24 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1s3r h ALA 63 Cb 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1s3r h ALA 63 CO -0.10 -0.57 -0.16 -0.07 0.00 0.00 0.00 179.25 178.36 1s3r h LEU 64 N -0.13 -0.47 -0.36 0.00 4.07 -1.22 -1.82 115.31 115.38 1s3r h LEU 64 Ca 0.07 0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.18 1s3r h LEU 64 Cb 0.23 0.20 -0.07 0.00 1.08 0.00 0.00 40.66 42.10 1s3r h LEU 64 CO -0.17 -0.21 -0.11 0.78 -1.08 0.00 0.00 178.44 177.65 1s3r h ASN 65 N -0.24 -0.38 -0.41 -0.43 2.35 -0.17 -2.14 115.58 114.16 1s3r h ASN 65 Ca 0.06 0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1s3r h ASN 65 Cb 0.33 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1s3r h ASN 65 CO -0.17 -0.14 -0.02 0.44 -1.65 0.00 0.00 177.43 175.89 1s3r h ASP 66 N -0.02 0.79 0.20 5.81 3.32 -0.38 -1.30 116.42 124.83 1s3r h ASP 66 Ca 0.18 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1s3r h ASP 66 Cb 0.29 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1s3r h ASP 66 CO -0.39 0.86 -0.10 0.22 -1.72 0.00 0.00 179.24 178.12 1s3r h TYR 67 N 0.75 -0.25 0.11 4.55 3.20 -1.09 0.98 116.97 125.21 1s3r h TYR 67 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1s3r h TYR 67 Cb 0.48 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1s3r h TYR 67 CO 0.03 -0.06 -0.05 0.82 -1.64 0.00 0.00 178.16 177.26 1s3r h ILE 68 N -0.41 1.06 -0.77 1.81 1.08 -1.23 -2.39 117.51 116.65 1s3r h ILE 68 Ca -0.03 -0.66 0.17 0.00 -0.39 0.00 0.00 64.86 63.96 1s3r h ILE 68 Cb 0.31 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 1s3r h ILE 68 CO 0.05 0.16 0.52 -0.50 -0.69 0.00 0.00 178.15 177.69 1s3r h TRP 69 N -0.45 0.37 -0.01 1.37 6.55 -1.31 -1.84 115.95 120.64 1s3r h TRP 69 Ca -0.01 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1s3r h TRP 69 Cb 0.37 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1s3r h TRP 69 CO 0.03 0.13 0.00 0.41 -1.05 0.00 0.00 178.44 177.95 1s3r n GLY 70 N -1.56 -0.94 3.70 1.49 0.00 0.34 -4.81 105.19 103.41 1s3r n GLY 70 Ca 0.15 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1s3r n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3r s LEU 71 N -1.31 4.26 -0.18 0.99 1.43 -0.69 -5.02 118.68 118.16 1s3r s LEU 71 Ca 0.16 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.31 1s3r s LEU 71 Cb 0.07 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 1s3r s LEU 71 CO 0.12 -0.22 0.19 -1.10 0.23 0.00 0.00 176.35 175.57 1s3r s GLN 72 N 1.30 4.13 0.01 1.70 -1.52 -1.26 -5.02 119.66 119.00 1s3r s GLN 72 Ca 0.37 -0.10 -0.29 0.00 -1.95 0.00 0.00 55.36 53.40 1s3r s GLN 72 Cb -0.17 -3.40 0.10 0.00 -0.22 0.00 0.00 33.01 29.32 1s3r s GLN 72 CO 0.16 0.33 0.97 1.52 -0.25 0.00 0.00 175.29 178.02 1s3r s TYR 73 N 0.23 -0.25 -1.24 0.91 -0.85 -1.26 -4.73 117.35 110.16 1s3r s TYR 73 Ca 0.12 0.09 -0.12 0.00 -0.52 0.00 0.00 57.07 56.64 1s3r s TYR 73 Cb -0.12 0.56 0.17 0.00 0.38 0.00 0.00 41.96 42.95 1s3r s TYR 73 CO 0.01 -0.55 1.61 -3.47 -1.52 0.00 0.00 175.55 171.62 1s3r n ASP 74 N -0.29 5.18 -0.11 -0.18 -0.08 -1.26 -4.92 116.55 114.89 1s3r n ASP 74 Ca -0.07 -3.03 -0.05 0.00 -1.51 0.00 0.00 54.79 50.13 1s3r n ASP 74 Cb 0.61 -1.54 -0.04 0.00 2.34 0.00 0.00 41.12 42.50 1s3r n ASP 74 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1s3r h LYS 75 N 6.60 -0.08 0.00 -0.67 2.10 -2.00 -0.11 116.57 122.41 1s3r h LYS 75 Ca 0.35 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 1s3r h LYS 75 Cb 0.78 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1s3r h LYS 75 CO 1.39 -0.05 0.42 -0.11 -2.00 0.00 0.00 179.45 179.10 1s3r n LEU 76 N -3.82 0.02 0.00 7.07 7.94 -1.26 -3.45 117.00 123.50 1s3r n LEU 76 Ca -0.00 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.05 1s3r n LEU 76 Cb 0.12 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1s3r n LEU 76 CO -0.03 -0.16 -0.03 0.59 -1.11 0.00 0.00 177.39 176.65 1s3r n ASN 77 N -1.24 0.14 -0.31 1.96 4.13 -0.21 -4.93 115.26 114.79 1s3r n ASN 77 Ca -0.00 0.00 0.28 0.00 1.68 0.00 0.00 54.58 56.54 1s3r n ASN 77 Cb 0.42 0.00 0.42 0.00 -1.54 0.00 0.00 39.78 39.09 1s3r n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s3r n ILE 78 N -1.84 0.00 -2.95 2.41 3.06 -0.27 -1.45 119.36 118.31 1s3r n ILE 78 Ca 0.00 0.94 -0.39 0.00 -2.50 0.00 0.00 62.75 60.79 1s3r n ILE 78 Cb 0.03 -1.62 -0.00 0.00 0.54 0.00 0.00 39.64 38.58 1s3r n ILE 78 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1s3r n LEU 79 N -2.95 6.23 -3.83 9.51 4.77 -1.26 -4.96 117.00 124.50 1s3r n LEU 79 Ca 0.23 -5.32 -0.22 0.00 -0.03 0.00 0.00 56.01 50.66 1s3r n LEU 79 Cb 1.21 -1.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.01 1s3r n LEU 79 CO 0.23 1.88 -0.40 -0.89 -1.33 0.00 0.00 177.39 176.88 1s3r s THR 80 N -3.28 0.52 -0.15 -5.08 2.01 -0.53 -1.10 115.64 108.02 1s3r s THR 80 Ca 0.35 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 1s3r s THR 80 Cb 0.11 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1s3r s THR 80 CO 0.02 0.26 -0.07 -2.28 -0.69 0.00 0.00 174.62 171.86 1s3r s HIS 81 N 1.55 2.94 -0.24 4.92 5.04 0.72 -4.99 115.29 125.24 1s3r s HIS 81 Ca -0.01 -0.49 -0.02 0.00 -1.54 0.00 0.00 55.06 53.01 1s3r s HIS 81 Cb -0.13 -1.94 0.02 0.00 0.04 0.00 0.00 32.58 30.57 1s3r s HIS 81 CO -0.04 -0.16 -0.07 -1.14 -2.34 0.00 0.00 174.74 171.00 1s3r s GLN 82 N 0.49 2.91 0.00 2.88 -0.44 -1.26 -1.80 119.66 122.45 1s3r s GLN 82 Ca -0.05 -0.92 0.00 0.00 -2.50 0.00 0.00 55.36 51.88 1s3r s GLN 82 Cb -0.15 -2.96 0.00 0.00 -1.64 0.00 0.00 33.01 28.27 1s3r s GLN 82 CO 0.03 -0.36 0.00 0.41 0.50 0.00 0.00 175.29 175.87 1s3r n GLY 83 N 4.68 -0.59 3.71 2.59 0.00 0.96 -4.95 105.19 111.58 1s3r n GLY 83 Ca -0.17 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 1s3r n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s3r s GLU 84 N -0.15 4.31 0.50 1.61 2.56 -1.26 -4.81 118.70 121.46 1s3r s GLU 84 Ca 0.00 2.04 -0.18 0.00 0.00 0.00 0.00 54.97 56.83 1s3r s GLU 84 Cb 0.00 -3.35 -0.08 0.00 2.00 0.00 0.00 34.13 32.69 1s3r s GLU 84 CO 0.00 -0.48 0.99 0.15 -0.56 0.00 0.00 175.26 175.37 1s3r s LYS 85 N 1.50 3.93 0.10 4.30 -0.14 -1.26 -2.08 119.74 126.09 1s3r s LYS 85 Ca 0.64 1.09 0.07 0.00 -1.36 0.00 0.00 55.97 56.42 1s3r s LYS 85 Cb -0.35 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 1s3r s LYS 85 CO 0.29 -0.29 -0.18 -0.51 -0.76 0.00 0.00 175.35 173.90 1s3r s LEU 86 N -3.78 2.31 0.13 3.17 1.43 -1.26 -4.93 118.68 115.75 1s3r s LEU 86 Ca 0.62 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.73 1s3r s LEU 86 Cb -0.11 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1s3r s LEU 86 CO 0.25 0.00 0.97 -0.75 0.23 0.00 0.00 176.35 177.05 1s3r s LYS 87 N -1.96 4.71 -0.25 1.70 2.20 -1.26 -4.96 119.74 119.93 1s3r s LYS 87 Ca 0.05 1.48 -0.42 0.00 -0.36 0.00 0.00 55.97 56.72 1s3r s LYS 87 Cb -0.09 -3.36 -0.19 0.00 -1.51 0.00 0.00 37.83 32.68 1s3r s LYS 87 CO 0.04 0.25 1.28 0.09 -0.36 0.00 0.00 175.35 176.65 1s3r n ASN 88 N 2.58 0.59 -3.85 1.43 4.13 -1.26 -4.93 115.26 113.95 1s3r n ASN 88 Ca 0.02 1.12 -0.15 0.00 1.68 0.00 0.00 54.58 57.25 1s3r n ASN 88 Cb 0.49 -0.86 -0.15 0.00 -1.54 0.00 0.00 39.78 37.71 1s3r n ASN 88 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1s3r s HIS 89 N 1.48 0.25 -0.11 3.10 2.46 -1.26 -5.02 115.29 116.19 1s3r s HIS 89 Ca 0.94 -0.00 -0.05 0.00 0.47 0.00 0.00 55.06 56.42 1s3r s HIS 89 Cb -1.33 -0.28 0.05 0.00 -0.13 0.00 0.00 32.58 30.89 1s3r s HIS 89 CO 0.67 -0.07 0.23 0.45 -2.47 0.00 0.00 174.74 173.54 1s3r s SER 90 N 0.59 0.12 -0.28 9.88 0.15 -1.25 -1.69 113.70 121.21 1s3r s SER 90 Ca -0.06 0.50 -0.15 0.00 0.70 0.00 0.00 55.95 56.94 1s3r s SER 90 Cb -0.09 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.79 1s3r s SER 90 CO -0.01 -0.20 0.73 -0.94 1.20 0.00 0.00 173.24 174.02 1s3r s SER 91 N 1.82 -0.90 0.37 5.45 1.04 -0.33 -4.99 113.70 116.15 1s3r s SER 91 Ca -0.04 1.41 0.07 0.00 0.48 0.00 0.00 55.95 57.88 1s3r s SER 91 Cb -0.11 1.47 -0.01 0.00 0.10 0.00 0.00 66.02 67.47 1s3r s SER 91 CO -0.08 -0.22 0.44 0.00 0.98 0.00 0.00 173.24 174.36 1s3r s ARG 92 N 1.75 2.89 -0.30 4.02 1.70 -1.26 -0.68 118.95 127.07 1s3r s ARG 92 Ca -0.09 -1.20 0.02 0.00 -0.47 0.00 0.00 55.73 53.99 1s3r s ARG 92 Cb -0.06 -2.67 0.16 0.00 -0.57 0.00 0.00 34.95 31.81 1s3r s ARG 92 CO -0.19 -0.04 0.42 -2.00 -1.08 0.00 0.00 175.30 172.40 1s3r s GLU 93 N -4.17 0.45 0.05 3.89 -6.30 -0.77 -4.96 118.70 106.89 1s3r s GLU 93 Ca 0.47 0.04 0.01 0.00 -2.50 0.00 0.00 54.97 52.99 1s3r s GLU 93 Cb -0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 34.13 33.69 1s3r s GLU 93 CO 0.30 -1.06 0.12 0.00 0.02 0.00 0.00 175.26 174.65 1s3r s ALA 94 N 2.43 3.72 -0.17 6.30 0.00 -1.26 -2.77 121.76 130.02 1s3r s ALA 94 Ca 0.10 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.85 1s3r s ALA 94 Cb -0.12 -1.60 0.11 0.00 0.00 0.00 0.00 23.12 21.50 1s3r s ALA 94 CO -0.27 0.76 0.90 -0.59 0.00 0.00 0.00 175.76 176.56 1s3r s PHE 95 N -1.39 -0.50 0.72 0.00 -0.12 -1.06 -4.99 117.98 110.64 1s3r s PHE 95 Ca 0.30 0.99 -0.11 0.00 -0.05 0.00 0.00 56.93 58.06 1s3r s PHE 95 Cb -0.12 0.40 0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1s3r s PHE 95 CO 0.22 -0.39 1.07 -1.01 -0.05 0.00 0.00 175.22 175.07 1s3r s HIS 96 N -0.70 2.87 -0.30 3.49 3.76 -1.26 -1.67 115.29 121.48 1s3r s HIS 96 Ca -0.03 1.48 -0.05 0.00 -0.15 0.00 0.00 55.06 56.32 1s3r s HIS 96 Cb -0.02 -2.96 0.19 0.00 1.11 0.00 0.00 32.58 30.90 1s3r s HIS 96 CO 0.02 -1.47 0.84 0.50 -0.85 0.00 0.00 174.74 173.78 1s3r s ARG 97 N -4.90 0.34 0.00 1.40 3.52 -0.40 -4.90 118.95 114.00 1s3r s ARG 97 Ca 0.60 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.64 1s3r s ARG 97 Cb -0.16 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1s3r s ARG 97 CO 0.54 -0.53 0.00 -2.30 -0.81 0.00 0.00 175.30 172.20 1s3r n PRO 98 N 5.33 0.00 0.00 5.12 -0.02 -1.26 -2.36 135.00 141.81 1s3r n PRO 98 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1s3r n PRO 98 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1s3r n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3r n GLY 99 N 0.00 2.29 3.41 -1.23 0.00 -1.26 -5.02 105.19 103.38 1s3r n GLY 99 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1s3r n GLY 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s3r s GLU 100 N -0.59 1.22 -0.25 1.61 -1.05 -1.00 -3.21 118.70 115.43 1s3r s GLU 100 Ca 0.00 -0.97 0.03 0.00 -0.15 0.00 0.00 54.97 53.87 1s3r s GLU 100 Cb 0.00 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1s3r s GLU 100 CO 0.00 -0.48 -0.11 -0.47 0.95 0.00 0.00 175.26 175.15 1s3r s TYR 101 N -3.90 3.18 0.17 4.83 5.04 -0.32 -1.28 117.35 125.07 1s3r s TYR 101 Ca 0.11 -2.25 -0.14 0.00 -2.44 0.00 0.00 57.07 52.35 1s3r s TYR 101 Cb 0.01 -1.90 -0.07 0.00 0.35 0.00 0.00 41.96 40.35 1s3r s TYR 101 CO -0.03 -0.87 0.57 0.08 -1.34 0.00 0.00 175.55 173.96 1s3r s VAL 102 N 1.13 4.83 -0.37 3.14 1.01 -0.67 -2.41 120.40 127.06 1s3r s VAL 102 Ca -0.08 0.84 0.02 0.00 0.00 0.00 0.00 61.98 62.75 1s3r s VAL 102 Cb -0.19 -3.73 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1s3r s VAL 102 CO -0.06 0.19 0.14 -0.69 0.00 0.00 0.00 175.10 174.69 1s3r s VAL 103 N -1.53 1.52 -0.88 2.92 1.01 -0.70 -2.55 120.40 120.20 1s3r s VAL 103 Ca 0.40 -2.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.00 1s3r s VAL 103 Cb -0.15 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1s3r s VAL 103 CO 0.19 -0.73 1.29 -0.63 0.00 0.00 0.00 175.10 175.22 1s3r s ILE 104 N 0.90 4.05 -0.25 2.22 1.01 -1.11 -2.85 121.20 125.16 1s3r s ILE 104 Ca 0.13 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1s3r s ILE 104 Cb -0.21 -4.93 -0.04 0.00 0.01 0.00 0.00 42.46 37.30 1s3r s ILE 104 CO -0.11 -1.79 0.10 -0.70 0.00 0.00 0.00 174.94 172.44 1s3r s GLU 105 N 4.70 3.77 -0.18 2.79 2.12 -0.86 -1.85 118.70 129.18 1s3r s GLU 105 Ca 0.38 -0.42 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 1s3r s GLU 105 Cb -0.05 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1s3r s GLU 105 CO -0.00 -0.15 0.01 0.15 -0.54 0.00 0.00 175.26 174.73 1s3r s LYS 106 N 1.55 3.76 0.19 4.30 1.02 0.14 -2.11 119.74 128.59 1s3r s LYS 106 Ca 0.06 -0.46 0.07 0.00 0.02 0.00 0.00 55.97 55.66 1s3r s LYS 106 Cb -0.15 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1s3r s LYS 106 CO 0.06 0.16 -0.13 0.15 -0.92 0.00 0.00 175.35 174.66 1s3r s LYS 107 N 0.62 1.27 0.03 1.68 1.02 -1.03 -1.19 119.74 122.14 1s3r s LYS 107 Ca 0.00 -1.56 -0.22 0.00 0.02 0.00 0.00 55.97 54.21 1s3r s LYS 107 Cb -0.14 -1.01 -0.06 0.00 -0.52 0.00 0.00 37.83 36.11 1s3r s LYS 107 CO 0.02 0.16 0.67 0.21 -0.92 0.00 0.00 175.35 175.49 1s3r s LYS 108 N -3.67 4.39 0.20 1.68 2.36 -0.68 -1.37 119.74 122.65 1s3r s LYS 108 Ca 0.21 0.89 -0.01 0.00 -2.55 0.00 0.00 55.97 54.51 1s3r s LYS 108 Cb 0.00 -3.34 -0.04 0.00 -1.05 0.00 0.00 37.83 33.40 1s3r s LYS 108 CO 0.06 0.36 0.11 -0.65 1.55 0.00 0.00 175.35 176.78 1s3r s GLN 109 N -0.25 1.19 -0.01 4.03 -1.52 -0.44 -4.92 119.66 117.73 1s3r s GLN 109 Ca 0.34 -1.62 0.02 0.00 -1.95 0.00 0.00 55.36 52.15 1s3r s GLN 109 Cb -0.19 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 32.76 1s3r s GLN 109 CO 0.20 -0.35 -0.06 -1.54 -0.25 0.00 0.00 175.29 173.30 1s3r s SER 110 N -3.17 0.77 -0.04 5.90 1.04 -1.26 -0.97 113.70 115.97 1s3r s SER 110 Ca 0.36 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 1s3r s SER 110 Cb 0.07 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1s3r s SER 110 CO 0.10 0.05 0.03 -0.51 0.98 0.00 0.00 173.24 173.89 1s3r s ILE 111 N 0.08 4.45 -0.07 -1.02 2.07 -0.63 -5.00 121.20 121.09 1s3r s ILE 111 Ca -0.01 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 1s3r s ILE 111 Cb -0.05 -2.96 0.02 0.00 0.13 0.00 0.00 42.46 39.59 1s3r s ILE 111 CO -0.00 0.46 -0.11 -0.55 -1.91 0.00 0.00 174.94 172.83 1s3r s SER 112 N -1.35 1.76 -0.02 4.50 0.15 -1.26 -2.26 113.70 115.21 1s3r s SER 112 Ca 0.18 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.57 1s3r s SER 112 Cb -0.12 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1s3r s SER 112 CO 0.08 -0.00 -0.07 0.21 1.20 0.00 0.00 173.24 174.66 1s3r s ASN 113 N 0.87 0.92 -0.08 5.45 2.47 -0.69 -5.02 114.94 118.87 1s3r s ASN 113 Ca -0.11 -0.14 0.01 0.00 0.42 0.00 0.00 52.86 53.04 1s3r s ASN 113 Cb -0.15 -0.21 0.02 0.00 -1.45 0.00 0.00 41.25 39.46 1s3r s ASN 113 CO 0.01 0.05 -0.07 0.00 -3.72 0.00 0.00 177.10 173.37 1s3r s ALA 114 N 0.13 1.08 -0.03 1.71 0.00 -1.26 -1.80 121.76 121.59 1s3r s ALA 114 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 1s3r s ALA 114 Cb -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1s3r s ALA 114 CO -0.00 -0.18 0.08 0.99 0.00 0.00 0.00 175.76 176.64 1s3r s THR 115 N 1.28 -0.00 -0.20 0.00 2.01 -0.16 -4.96 115.64 113.60 1s3r s THR 115 Ca -0.04 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1s3r s THR 115 Cb -0.14 -0.12 -0.22 0.00 0.01 0.00 0.00 72.50 72.04 1s3r s THR 115 CO -0.03 0.00 0.03 -1.54 -0.69 0.00 0.00 174.62 172.39 1s3r n SER 116 N 3.06 1.04 -4.55 3.53 3.41 -1.26 0.06 113.62 118.92 1s3r n SER 116 Ca -0.13 -0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.07 1s3r n SER 116 Cb 0.59 0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1s3r n SER 116 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1s3r s LYS 117 N -2.52 3.35 0.10 4.33 1.02 -1.26 -4.40 119.74 120.37 1s3r s LYS 117 Ca -0.21 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.04 1s3r s LYS 117 Cb 0.07 -4.66 -0.06 0.00 -0.52 0.00 0.00 37.83 32.66 1s3r s LYS 117 CO 0.73 -2.15 0.43 -0.51 -0.92 0.00 0.00 175.35 172.93 1s3r s LEU 118 N 5.29 4.33 0.01 3.17 1.43 0.15 -4.87 118.68 128.19 1s3r s LEU 118 Ca 0.39 0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 54.03 1s3r s LEU 118 Cb -0.05 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.04 1s3r s LEU 118 CO 0.04 0.14 0.91 -0.94 0.23 0.00 0.00 176.35 176.73 1s3r s SER 119 N -1.84 7.31 -0.05 2.29 1.04 -1.26 -0.70 113.70 120.49 1s3r s SER 119 Ca 0.35 1.58 -0.30 0.00 0.48 0.00 0.00 55.95 58.06 1s3r s SER 119 Cb -0.14 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 1s3r s SER 119 CO 0.19 -0.19 1.05 -0.69 0.98 0.00 0.00 173.24 174.58 1s3r s VAL 120 N 0.75 4.65 0.22 5.02 1.01 -0.88 -4.87 120.40 126.29 1s3r s VAL 120 Ca 0.48 1.92 0.10 0.00 0.00 0.00 0.00 61.98 64.47 1s3r s VAL 120 Cb -0.21 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1s3r s VAL 120 CO 0.26 0.06 -0.18 -0.94 0.00 0.00 0.00 175.10 174.29 1s3r s SER 121 N 1.14 3.05 0.21 3.32 1.04 -1.26 -4.80 113.70 116.39 1s3r s SER 121 Ca 0.52 -0.96 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 1s3r s SER 121 Cb -0.21 -0.21 0.30 0.00 0.10 0.00 0.00 66.02 66.00 1s3r s SER 121 CO 0.22 -0.03 1.70 0.28 0.98 0.00 0.00 173.24 176.40 1s3r h SER 122 N 2.72 -0.02 -0.94 7.02 0.02 -1.98 1.79 113.55 122.15 1s3r h SER 122 Ca -0.41 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1s3r h SER 122 Cb 1.23 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.85 1s3r h SER 122 CO 0.57 -0.00 0.58 0.00 -1.14 0.00 0.00 176.83 176.83 1s3r h ALA 123 N 1.49 1.39 0.00 3.77 0.00 -1.96 -3.18 119.26 120.76 1s3r h ALA 123 Ca 0.32 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.97 1s3r h ALA 123 Cb 0.48 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1s3r h ALA 123 CO -0.42 0.21 -2.02 0.27 0.00 0.00 0.00 179.25 177.30 1s3r n ASN 124 N -4.65 0.36 0.00 0.00 0.23 -0.25 -4.69 115.26 106.27 1s3r n ASN 124 Ca 0.17 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 1s3r n ASN 124 Cb 0.31 0.70 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 1s3r n ASN 124 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1s3r n ASP 125 N -2.80 0.00 0.16 0.53 -0.08 0.59 -0.14 116.55 114.82 1s3r n ASP 125 Ca -0.22 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.11 1s3r n ASP 125 Cb 1.02 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.58 1s3r n ASP 125 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1s3r h ASP 126 N 0.00 0.00 1.18 1.67 2.03 -1.83 -2.60 116.42 116.87 1s3r h ASP 126 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s3r h ASP 126 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1s3r h ASP 126 CO 0.00 0.37 0.00 0.54 -1.03 0.00 0.00 179.24 179.12 1s3r n ARG 127 N -3.22 0.23 -3.55 4.15 3.00 0.80 -4.77 116.66 113.30 1s3r n ARG 127 Ca 0.02 0.29 -0.40 0.00 -0.01 0.00 0.00 57.85 57.75 1s3r n ARG 127 Cb 0.66 -1.82 -0.11 0.00 0.00 0.00 0.00 32.46 31.19 1s3r n ARG 127 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1s3r s ILE 128 N -3.18 5.15 -0.30 0.55 -1.09 -0.98 -4.90 121.20 116.45 1s3r s ILE 128 Ca 0.08 -0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 58.05 1s3r s ILE 128 Cb 0.11 -3.64 0.20 0.00 -1.58 0.00 0.00 42.46 37.55 1s3r s ILE 128 CO 0.52 0.00 1.31 0.72 -1.23 0.00 0.00 174.94 176.25 1s3r s PHE 129 N 1.70 -0.10 -0.99 3.97 -0.12 -1.26 -4.95 117.98 116.22 1s3r s PHE 129 Ca 0.06 0.22 -0.20 0.00 -0.05 0.00 0.00 56.93 56.96 1s3r s PHE 129 Cb -0.17 0.22 -0.28 0.00 -0.63 0.00 0.00 43.02 42.16 1s3r s PHE 129 CO 0.10 -0.05 2.42 -2.30 -0.05 0.00 0.00 175.22 175.33 1s3r n PRO 130 N 2.56 0.01 0.00 1.99 -0.02 -1.26 -2.78 135.00 135.50 1s3r n PRO 130 Ca -0.15 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1s3r n PRO 130 Cb 0.56 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 1s3r n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3r n GLY 131 N 5.99 0.12 3.68 -1.23 0.00 -0.49 -4.99 105.19 108.27 1s3r n GLY 131 Ca 0.67 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.33 1s3r n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3r s ALA 132 N -0.97 3.64 -0.05 4.61 0.00 -1.12 -4.67 121.76 123.20 1s3r s ALA 132 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1s3r s ALA 132 Cb 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1s3r s ALA 132 CO 0.00 -0.06 1.34 -0.51 0.00 0.00 0.00 175.76 176.53 1s3r s LEU 133 N 0.80 4.28 0.27 0.00 1.43 -1.26 -2.30 118.68 121.90 1s3r s LEU 133 Ca 0.08 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1s3r s LEU 133 Cb -0.13 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 1s3r s LEU 133 CO 0.02 -0.71 0.03 -0.76 0.23 0.00 0.00 176.35 175.16 1s3r s LEU 134 N 2.71 2.11 0.05 1.79 1.43 -0.40 -0.66 118.68 125.72 1s3r s LEU 134 Ca 0.61 -1.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1s3r s LEU 134 Cb -0.28 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.61 1s3r s LEU 134 CO 0.23 -0.57 0.27 -0.54 0.23 0.00 0.00 176.35 175.98 1s3r s LYS 135 N -3.89 3.54 -1.08 1.70 1.02 -1.15 -1.44 119.74 118.45 1s3r s LYS 135 Ca 0.33 -0.18 -0.06 0.00 0.02 0.00 0.00 55.97 56.07 1s3r s LYS 135 Cb 0.07 -3.02 0.29 0.00 -0.52 0.00 0.00 37.83 34.65 1s3r s LYS 135 CO 0.12 0.60 1.22 0.00 -0.92 0.00 0.00 175.35 176.37 1s3r n ALA 136 N 0.68 4.56 -3.00 5.17 0.00 -0.84 -4.54 120.51 122.53 1s3r n ALA 136 Ca -0.08 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.64 1s3r n ALA 136 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1s3r n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1s3r n ASP 137 N 2.10 0.86 0.14 0.00 5.68 -1.26 -4.34 116.55 119.72 1s3r n ASP 137 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.54 1s3r n ASP 137 Cb 0.37 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.64 1s3r n ASP 137 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1s3r h GLN 138 N 0.00 0.11 -0.18 0.11 5.75 -1.95 -2.61 115.11 116.33 1s3r h GLN 138 Ca 0.00 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1s3r h GLN 138 Cb 0.00 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1s3r h GLN 138 CO 0.00 0.48 -0.16 0.77 -2.65 0.00 0.00 178.83 177.27 1s3r h SER 139 N 0.09 0.29 -0.06 -0.69 0.02 -1.91 0.85 113.55 112.14 1s3r h SER 139 Ca 0.01 -0.07 -0.21 0.00 -0.84 0.00 0.00 61.79 60.68 1s3r h SER 139 Cb 0.73 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.21 1s3r h SER 139 CO 0.05 0.48 -0.78 0.25 -1.14 0.00 0.00 176.83 175.69 1s3r h LEU 140 N 0.28 0.79 -1.56 5.07 5.85 -1.74 -0.10 115.31 123.90 1s3r h LEU 140 Ca 0.05 -0.70 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1s3r h LEU 140 Cb 0.46 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1s3r h LEU 140 CO 0.03 1.37 0.31 -0.07 -0.34 0.00 0.00 178.44 179.74 1s3r h LEU 141 N 0.28 0.51 -0.09 2.25 3.38 -1.01 0.60 115.31 121.22 1s3r h LEU 141 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1s3r h LEU 141 Cb 1.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1s3r h LEU 141 CO 0.16 0.36 -0.06 -0.62 0.09 0.00 0.00 178.44 178.37 1s3r n GLU 142 N -4.47 0.51 -2.43 1.13 1.02 0.23 -4.50 120.64 112.12 1s3r n GLU 142 Ca 0.04 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1s3r n GLU 142 Cb 0.08 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1s3r n GLU 142 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1s3r n ASN 143 N -1.17 -4.13 -3.10 1.62 5.15 0.20 -3.75 115.26 110.08 1s3r n ASN 143 Ca 0.14 -0.08 -0.23 0.00 -0.60 0.00 0.00 54.58 53.82 1s3r n ASN 143 Cb 0.26 -3.20 -0.04 0.00 -0.53 0.00 0.00 39.78 36.27 1s3r n ASN 143 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1s3r n LEU 144 N -2.12 2.49 -4.75 1.20 7.94 -0.11 -4.62 117.00 117.03 1s3r n LEU 144 Ca -0.12 -5.30 -0.38 0.00 -1.11 0.00 0.00 56.01 49.10 1s3r n LEU 144 Cb 0.60 0.10 0.03 0.00 0.53 0.00 0.00 43.42 44.68 1s3r n LEU 144 CO 0.22 2.29 0.93 -2.16 -1.11 0.00 0.00 177.39 177.56 1s3r s PRO 145 N -2.80 3.26 -0.14 1.96 0.04 -1.13 -4.54 135.00 131.65 1s3r s PRO 145 Ca 0.43 2.07 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 1s3r s PRO 145 Cb 0.30 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1s3r s PRO 145 CO -0.10 -1.05 0.72 0.99 0.04 0.00 0.00 177.00 177.60 1s3r s THR 146 N -1.40 4.99 0.47 1.26 2.01 -1.26 -4.87 115.64 116.84 1s3r s THR 146 Ca 0.71 1.42 -0.24 0.00 0.31 0.00 0.00 61.69 63.88 1s3r s THR 146 Cb -0.36 -4.04 -0.07 0.00 0.01 0.00 0.00 72.50 68.04 1s3r s THR 146 CO 0.43 0.14 1.32 -0.76 -0.69 0.00 0.00 174.62 175.05 1s3r s LEU 147 N 1.57 4.04 -0.26 4.42 1.43 -1.26 -2.92 118.68 125.70 1s3r s LEU 147 Ca 0.35 2.68 -0.19 0.00 -1.03 0.00 0.00 54.13 55.93 1s3r s LEU 147 Cb -0.17 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 1s3r s LEU 147 CO 0.14 -1.15 0.57 -0.63 0.23 0.00 0.00 176.35 175.51 1s3r s ILE 148 N -1.32 5.02 -1.12 -0.59 1.01 0.17 -4.93 121.20 119.45 1s3r s ILE 148 Ca 0.63 1.01 -0.22 0.00 0.00 0.00 0.00 60.65 62.07 1s3r s ILE 148 Cb -0.38 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.22 1s3r s ILE 148 CO 0.47 0.05 1.72 -2.16 0.00 0.00 0.00 174.94 175.03 1s3r s PRO 149 N 2.41 3.33 0.06 2.79 0.04 -1.26 -4.86 135.00 137.52 1s3r s PRO 149 Ca 0.24 -1.28 -0.12 0.00 0.04 0.00 0.00 61.00 59.89 1s3r s PRO 149 Cb -0.16 -5.35 0.01 0.00 0.04 0.00 0.00 34.50 29.05 1s3r s PRO 149 CO 0.09 -2.77 0.26 0.54 0.04 0.00 0.00 177.00 175.16 1s3r s VAL 150 N 6.77 0.10 0.63 -0.36 0.11 -1.26 -5.07 120.40 121.33 1s3r s VAL 150 Ca 0.57 -0.85 -0.16 0.00 -2.93 0.00 0.00 61.98 58.60 1s3r s VAL 150 Cb 0.00 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1s3r s VAL 150 CO 0.02 -0.47 1.13 0.20 -3.33 0.00 0.00 175.10 172.65 1s3r s ASN 151 N -2.37 5.17 0.11 3.54 0.01 -1.26 -4.94 114.94 115.20 1s3r s ASN 151 Ca -0.01 2.10 0.07 0.00 -0.71 0.00 0.00 52.86 54.30 1s3r s ASN 151 Cb 0.01 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1s3r s ASN 151 CO -0.06 -1.59 -0.18 -0.13 -1.51 0.00 0.00 177.10 173.63 1s3r s ARG 152 N -3.84 1.06 0.45 -0.60 0.52 -1.26 -1.96 118.95 113.31 1s3r s ARG 152 Ca 0.70 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 54.82 1s3r s ARG 152 Cb -0.23 -1.15 0.02 0.00 0.52 0.00 0.00 34.95 34.11 1s3r s ARG 152 CO 0.38 0.25 0.57 0.20 0.02 0.00 0.00 175.30 176.72 1s3r s GLY 153 N -2.09 1.96 0.04 -3.53 0.00 -0.40 -4.08 107.32 99.22 1s3r s GLY 153 Ca 0.06 -1.77 -0.27 0.00 0.00 0.00 0.00 44.72 42.74 1s3r s GLY 153 CO 0.04 -1.57 0.68 0.28 0.00 0.00 0.00 173.10 172.53 1s3r n LYS 154 N -1.86 0.00 -5.07 2.90 5.02 -1.23 -4.65 118.16 113.27 1s3r n LYS 154 Ca 0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.05 1s3r n LYS 154 Cb 0.60 -1.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.46 1s3r n LYS 154 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s3r s THR 155 N -0.19 2.49 -0.09 -0.18 2.01 -0.77 -4.85 115.64 114.06 1s3r s THR 155 Ca 0.61 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 1s3r s THR 155 Cb -0.86 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1s3r s THR 155 CO 0.41 0.56 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.95 1s3r s THR 156 N -0.07 3.76 0.04 -0.82 2.01 -1.26 -1.62 115.64 117.67 1s3r s THR 156 Ca -0.05 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1s3r s THR 156 Cb -0.14 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1s3r s THR 156 CO 0.04 0.58 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 1s3r s ILE 157 N -0.54 0.44 -0.02 1.82 1.01 -0.48 -2.72 121.20 120.72 1s3r s ILE 157 Ca 0.08 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1s3r s ILE 157 Cb -0.12 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1s3r s ILE 157 CO 0.02 -0.45 -0.08 -0.55 0.00 0.00 0.00 174.94 173.88 1s3r s SER 158 N -1.67 0.99 -0.07 3.58 0.15 -0.16 -0.36 113.70 116.16 1s3r s SER 158 Ca -0.10 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.45 1s3r s SER 158 Cb -0.09 -0.22 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1s3r s SER 158 CO -0.00 0.06 -0.22 -0.69 1.20 0.00 0.00 173.24 173.58 1s3r s VAL 159 N 0.11 1.89 -0.45 4.45 1.01 -0.62 -1.09 120.40 125.70 1s3r s VAL 159 Ca -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1s3r s VAL 159 Cb -0.07 -1.63 0.23 0.00 0.00 0.00 0.00 36.38 34.92 1s3r s VAL 159 CO 0.00 0.53 2.21 -0.46 0.00 0.00 0.00 175.10 177.38 1s3r n ASN 160 N 3.27 6.76 -4.80 3.32 0.23 -1.05 -4.79 115.26 118.21 1s3r n ASN 160 Ca -0.19 -3.28 -0.36 0.00 -0.53 0.00 0.00 54.58 50.23 1s3r n ASN 160 Cb 0.52 -1.09 -0.06 0.00 -2.08 0.00 0.00 39.78 37.07 1s3r n ASN 160 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1s3r s LEU 161 N -2.41 4.27 0.07 -4.53 1.43 -1.26 -4.81 118.68 111.44 1s3r s LEU 161 Ca 0.45 1.64 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 1s3r s LEU 161 Cb 0.34 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1s3r s LEU 161 CO -0.08 -0.08 1.30 -2.16 0.23 0.00 0.00 176.35 175.55 1s3r s PRO 162 N -2.25 4.37 0.00 1.29 0.04 -1.26 -3.46 135.00 133.73 1s3r s PRO 162 Ca 0.50 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1s3r s PRO 162 Cb -0.16 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1s3r s PRO 162 CO 0.21 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1s3r n GLY 163 N 3.38 2.13 3.70 0.56 0.00 -1.26 -4.83 105.19 108.87 1s3r n GLY 163 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1s3r n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3r s LEU 164 N 0.00 4.34 0.07 0.99 1.43 -1.22 -4.98 118.68 119.30 1s3r s LEU 164 Ca 0.00 2.19 0.01 0.00 -1.03 0.00 0.00 54.13 55.30 1s3r s LEU 164 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1s3r s LEU 164 CO 0.00 -0.70 -0.06 -1.59 0.23 0.00 0.00 176.35 174.23 1s3r s LYS 165 N 2.01 0.70 5.55 1.70 -2.85 -1.26 -4.78 119.74 120.81 1s3r s LYS 165 Ca 0.64 -1.18 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 1s3r s LYS 165 Cb -0.33 -0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.35 1s3r s LYS 165 CO 0.28 -0.04 0.00 0.09 0.10 0.00 0.00 175.35 175.78 1s3r n ASN 166 N 0.30 0.00 -1.95 0.03 5.03 -1.26 -2.97 115.26 114.44 1s3r n ASN 166 Ca -0.15 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.28 1s3r n ASN 166 Cb 0.60 0.00 0.32 0.00 -1.02 0.00 0.00 39.78 39.68 1s3r n ASN 166 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s3r n GLY 167 N 0.00 3.39 0.23 7.41 0.00 -1.26 -4.54 105.19 110.42 1s3r n GLY 167 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.16 1s3r n GLY 167 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s3r h GLU 168 N 2.93 0.00 -0.01 1.61 5.08 -1.89 -2.66 114.58 119.64 1s3r h GLU 168 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1s3r h GLU 168 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 1s3r h GLU 168 CO 0.66 0.17 -0.07 -1.13 -1.00 0.00 0.00 179.01 177.64 1s3r n SER 169 N -4.15 0.76 -4.30 1.42 3.41 -1.26 -4.88 113.62 104.62 1s3r n SER 169 Ca -0.02 -0.99 -0.30 0.00 -0.26 0.00 0.00 58.87 57.30 1s3r n SER 169 Cb 0.25 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 64.03 1s3r n SER 169 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1s3r s ASN 170 N -2.23 2.98 0.16 4.04 0.01 -1.00 -1.59 114.94 117.30 1s3r s ASN 170 Ca 0.35 -0.47 0.11 0.00 -0.71 0.00 0.00 52.86 52.14 1s3r s ASN 170 Cb 0.21 -0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 1s3r s ASN 170 CO 0.41 0.31 -0.24 -0.76 -1.51 0.00 0.00 177.10 175.31 1s3r s LEU 171 N -0.65 2.38 -0.13 0.60 1.43 0.51 -4.99 118.68 117.83 1s3r s LEU 171 Ca 0.10 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1s3r s LEU 171 Cb -0.10 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.05 1s3r s LEU 171 CO -0.01 0.11 -0.09 -0.89 0.23 0.00 0.00 176.35 175.71 1s3r s THR 172 N -1.47 1.17 -0.22 5.49 2.01 -1.26 -1.38 115.64 119.97 1s3r s THR 172 Ca 0.16 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1s3r s THR 172 Cb -0.09 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1s3r s THR 172 CO 0.08 0.34 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.62 1s3r s VAL 173 N 1.64 3.43 0.07 3.82 1.01 -0.64 -4.97 120.40 124.76 1s3r s VAL 173 Ca 0.04 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1s3r s VAL 173 Cb -0.13 -2.57 -0.14 0.00 0.00 0.00 0.00 36.38 33.54 1s3r s VAL 173 CO -0.09 0.41 1.62 -0.33 0.00 0.00 0.00 175.10 176.71 1s3r h GLU 174 N 8.12 0.10 -2.21 2.72 3.07 -1.92 -2.06 114.58 122.40 1s3r h GLU 174 Ca -0.41 -0.02 -0.59 0.00 -0.50 0.00 0.00 59.36 57.84 1s3r h GLU 174 Cb 1.16 -0.02 -0.42 0.00 -0.84 0.00 0.00 28.75 28.63 1s3r h GLU 174 CO 0.60 0.21 -0.65 0.09 -1.40 0.00 0.00 179.01 177.86 1s3r n ASN 175 N -4.96 3.77 -4.63 1.42 3.02 -1.26 -3.52 115.26 109.09 1s3r n ASN 175 Ca -0.06 -3.48 -0.54 0.00 -0.03 0.00 0.00 54.58 50.47 1s3r n ASN 175 Cb 0.10 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 1s3r n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1s3r n PRO 176 N 0.47 1.18 -4.00 3.52 -0.04 -1.25 -4.85 135.00 130.03 1s3r n PRO 176 Ca 0.30 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 64.10 1s3r n PRO 176 Cb 0.42 -2.09 -0.09 0.00 -0.04 0.00 0.00 33.50 31.70 1s3r n PRO 176 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s3r s SER 177 N 1.59 0.25 0.63 3.54 1.04 -1.26 -4.84 113.70 114.65 1s3r s SER 177 Ca 0.89 -0.90 0.40 0.00 0.48 0.00 0.00 55.95 56.83 1s3r s SER 177 Cb -0.99 0.31 2.18 0.00 0.10 0.00 0.00 66.02 67.62 1s3r s SER 177 CO 0.53 -0.72 2.22 -1.13 0.98 0.00 0.00 173.24 175.13 1s3r h ASN 178 N 2.85 0.00 0.00 7.02 -1.24 -1.92 -1.64 115.58 120.65 1s3r h ASN 178 Ca -0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.67 1s3r h ASN 178 Cb 1.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1s3r h ASN 178 CO 0.58 0.00 -0.03 -1.28 -1.29 0.00 0.00 177.43 175.41 1s3r h SER 179 N 0.00 0.00 -0.91 1.15 0.87 -1.95 -2.99 113.55 109.72 1s3r h SER 179 Ca 0.00 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.69 1s3r h SER 179 Cb 0.10 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 1s3r h SER 179 CO 0.00 0.27 0.58 0.71 -0.53 0.00 0.00 176.83 177.86 1s3r h THR 180 N -0.51 0.88 0.51 2.23 1.35 -1.87 -1.76 112.91 113.74 1s3r h THR 180 Ca 0.00 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.56 1s3r h THR 180 Cb 0.03 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1s3r h THR 180 CO 0.00 0.14 -0.24 0.58 -0.25 0.00 0.00 175.52 175.75 1s3r h VAL 181 N 0.79 0.00 -0.98 6.82 2.07 -1.47 -1.05 116.25 122.43 1s3r h VAL 181 Ca 0.45 -0.33 0.33 0.00 0.82 0.00 0.00 66.70 67.98 1s3r h VAL 181 Cb 0.60 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.21 1s3r h VAL 181 CO -0.21 0.00 0.46 0.03 0.02 0.00 0.00 177.57 177.87 1s3r h ARG 182 N -1.01 0.18 0.24 1.57 3.08 -1.51 0.13 114.38 117.05 1s3r h ARG 182 Ca -0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1s3r h ARG 182 Cb 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1s3r h ARG 182 CO 0.11 0.12 -0.11 1.15 -1.07 0.00 0.00 179.97 180.17 1s3r h THR 183 N 0.18 0.83 -0.58 2.04 2.02 -1.27 0.18 112.91 116.31 1s3r h THR 183 Ca 0.73 -0.57 0.11 0.00 0.77 0.00 0.00 66.41 67.45 1s3r h THR 183 Cb 1.72 1.15 -0.11 0.00 -1.74 0.00 0.00 68.15 69.17 1s3r h THR 183 CO -0.69 0.12 -0.20 0.00 0.37 0.00 0.00 175.52 175.12 1s3r h ALA 184 N 0.05 0.27 0.65 6.16 0.00 -0.27 0.67 119.26 126.79 1s3r h ALA 184 Ca -0.03 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1s3r h ALA 184 Cb 0.44 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s3r h ALA 184 CO 0.05 -0.50 -0.34 0.28 0.00 0.00 0.00 179.25 178.74 1s3r h VAL 185 N -0.06 0.30 -0.49 0.00 2.07 -0.68 -2.24 116.25 115.16 1s3r h VAL 185 Ca 0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 1s3r h VAL 185 Cb 0.48 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1s3r h VAL 185 CO -0.63 0.00 0.23 0.78 0.02 0.00 0.00 177.57 177.98 1s3r h ASN 186 N -0.91 0.61 -0.39 0.57 2.35 -0.39 -1.04 115.58 116.37 1s3r h ASN 186 Ca -0.09 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1s3r h ASN 186 Cb 0.72 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1s3r h ASN 186 CO 0.12 0.53 0.25 -1.13 -1.65 0.00 0.00 177.43 175.55 1s3r h ASN 187 N 0.69 0.42 -0.32 5.81 -1.24 0.49 0.62 115.58 122.05 1s3r h ASN 187 Ca 0.17 -0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.19 1s3r h ASN 187 Cb 0.08 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 1s3r h ASN 187 CO -0.02 0.31 0.18 0.25 -1.29 0.00 0.00 177.43 176.85 1s3r h LEU 188 N 0.51 0.29 -1.36 0.34 6.46 -1.05 -2.03 115.31 118.46 1s3r h LEU 188 Ca 0.15 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1s3r h LEU 188 Cb -0.04 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 1s3r h LEU 188 CO -0.05 0.21 0.29 0.58 -0.62 0.00 0.00 178.44 178.86 1s3r h VAL 189 N 0.37 1.16 -0.46 1.05 2.07 -0.60 -0.68 116.25 119.17 1s3r h VAL 189 Ca 0.13 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1s3r h VAL 189 Cb 0.01 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1s3r h VAL 189 CO -0.07 0.18 -0.16 -0.33 0.02 0.00 0.00 177.57 177.21 1s3r h GLU 190 N 0.74 0.88 -0.13 1.57 5.08 -0.68 -0.26 114.58 121.77 1s3r h GLU 190 Ca 0.19 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1s3r h GLU 190 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1s3r h GLU 190 CO -0.03 0.97 -0.16 0.87 -1.00 0.00 0.00 179.01 179.66 1s3r h LYS 191 N 0.77 0.21 -0.18 2.33 1.57 -0.64 -1.75 116.57 118.89 1s3r h LYS 191 Ca 0.12 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.63 1s3r h LYS 191 Cb 0.69 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.98 1s3r h LYS 191 CO 0.05 0.38 -0.74 2.35 -0.57 0.00 0.00 179.45 180.92 1s3r h TRP 192 N 0.20 1.08 -0.56 -1.35 7.01 -0.75 -2.46 115.95 119.11 1s3r h TRP 192 Ca 0.04 -0.46 0.02 0.00 2.11 0.00 0.00 58.89 60.60 1s3r h TRP 192 Cb 0.41 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1s3r h TRP 192 CO 0.01 1.29 0.35 0.82 -2.79 0.00 0.00 178.44 178.12 1s3r h ILE 193 N 0.57 1.09 0.03 2.65 2.04 -0.61 0.21 117.51 123.48 1s3r h ILE 193 Ca -0.04 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1s3r h ILE 193 Cb 1.36 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1s3r h ILE 193 CO 0.15 0.13 -0.01 -0.61 0.00 0.00 0.00 178.15 177.81 1s3r h GLN 194 N 0.70 -0.04 0.00 2.37 4.15 -1.32 -2.99 115.11 117.98 1s3r h GLN 194 Ca 0.22 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 1s3r h GLN 194 Cb -0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1s3r h GLN 194 CO -0.08 0.26 -0.20 -0.97 -1.93 0.00 0.00 178.83 175.92 1s3r h ASN 195 N -0.34 0.00 0.00 -0.69 -0.73 -1.31 -3.42 115.58 109.09 1s3r h ASN 195 Ca -0.00 -0.83 0.00 0.00 1.87 0.00 0.00 56.30 57.34 1s3r h ASN 195 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1s3r h ASN 195 CO 0.01 1.03 -0.58 -1.22 -0.37 0.00 0.00 177.43 176.30 1s3r n TYR 196 N -4.60 0.00 -0.21 0.67 4.02 0.68 -4.70 117.16 113.02 1s3r n TYR 196 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.74 1s3r n TYR 196 Cb 0.47 -0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.95 1s3r n TYR 196 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s3r h SER 197 N 0.00 0.90 0.77 7.72 4.64 -1.27 -0.68 113.55 125.63 1s3r h SER 197 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1s3r h SER 197 Cb 0.29 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1s3r h SER 197 CO 0.00 0.79 0.00 0.29 -0.87 0.00 0.00 176.83 177.04 1s3r n LYS 198 N -4.32 0.21 -0.02 4.77 5.02 -1.26 -3.89 118.16 118.67 1s3r n LYS 198 Ca 0.06 0.42 -0.02 0.00 -2.02 0.00 0.00 58.31 56.75 1s3r n LYS 198 Cb 0.16 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.26 1s3r n LYS 198 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1s3r n THR 199 N -2.27 0.24 -4.12 -0.18 -2.24 -0.93 -5.00 114.28 99.78 1s3r n THR 199 Ca 0.02 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1s3r n THR 199 Cb 0.24 -0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 1s3r n THR 199 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1s3r s HIS 200 N -2.08 3.13 0.04 4.78 3.76 -0.31 -5.10 115.29 119.51 1s3r s HIS 200 Ca -0.04 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.60 1s3r s HIS 200 Cb 0.01 -2.06 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 1s3r s HIS 200 CO 0.12 -0.01 0.39 0.00 -0.85 0.00 0.00 174.74 174.38 1s3r s ALA 201 N 0.58 3.73 -0.49 -1.40 0.00 -1.26 -4.64 121.76 118.28 1s3r s ALA 201 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1s3r s ALA 201 Cb -0.14 -2.29 0.13 0.00 0.00 0.00 0.00 23.12 20.82 1s3r s ALA 201 CO 0.02 0.54 0.25 0.08 0.00 0.00 0.00 175.76 176.65 1s3r s VAL 202 N -1.28 2.87 0.37 0.00 1.01 -1.26 -4.93 120.40 117.18 1s3r s VAL 202 Ca 0.29 -2.84 -0.17 0.00 0.00 0.00 0.00 61.98 59.26 1s3r s VAL 202 Cb -0.15 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1s3r s VAL 202 CO 0.16 -0.76 0.82 -2.16 0.00 0.00 0.00 175.10 173.16 1s3r s PRO 203 N 0.23 4.07 0.53 2.72 0.04 -1.26 -0.70 135.00 140.63 1s3r s PRO 203 Ca 0.14 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 61.79 1s3r s PRO 203 Cb -0.23 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1s3r s PRO 203 CO -0.03 0.07 1.26 0.00 0.04 0.00 0.00 177.00 178.34 1s3r s ALA 204 N -2.08 2.78 -0.33 8.56 0.00 0.12 -4.79 121.76 126.02 1s3r s ALA 204 Ca 0.57 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 1s3r s ALA 204 Cb -0.10 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1s3r s ALA 204 CO 0.17 -1.10 0.16 1.03 0.00 0.00 0.00 175.76 176.02 1s3r s ARG 205 N -2.96 3.05 -0.21 0.00 0.52 -0.20 -4.91 118.95 114.24 1s3r s ARG 205 Ca 0.71 -0.91 -0.20 0.00 -0.52 0.00 0.00 55.73 54.80 1s3r s ARG 205 Cb -0.34 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.52 1s3r s ARG 205 CO 0.39 -0.55 0.61 1.41 0.02 0.00 0.00 175.30 177.19 1s3r s MET 206 N 1.56 4.19 -0.15 3.54 -2.45 -1.26 -0.98 119.30 123.74 1s3r s MET 206 Ca 0.03 0.57 -0.08 0.00 -1.25 0.00 0.00 55.69 54.96 1s3r s MET 206 Cb -0.18 -3.59 -0.04 0.00 1.25 0.00 0.00 34.83 32.27 1s3r s MET 206 CO 0.06 -0.26 0.13 -1.14 1.05 0.00 0.00 175.02 174.85 1s3r s GLN 207 N 1.99 3.75 -0.05 4.11 0.74 0.64 -4.97 119.66 125.88 1s3r s GLN 207 Ca 0.27 -0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.50 1s3r s GLN 207 Cb -0.16 -3.27 0.03 0.00 1.10 0.00 0.00 33.01 30.71 1s3r s GLN 207 CO 0.10 0.56 -0.00 -0.47 -0.55 0.00 0.00 175.29 174.93 1s3r s TYR 208 N -0.40 0.49 -0.04 1.67 5.04 -1.26 -1.94 117.35 120.90 1s3r s TYR 208 Ca 0.12 -0.07 0.04 0.00 -2.44 0.00 0.00 57.07 54.72 1s3r s TYR 208 Cb -0.12 -0.59 -0.00 0.00 0.35 0.00 0.00 41.96 41.60 1s3r s TYR 208 CO 0.01 -0.21 -0.16 -1.21 -1.34 0.00 0.00 175.55 172.65 1s3r s GLU 209 N 1.39 1.61 0.02 4.97 0.41 -0.94 -4.99 118.70 121.17 1s3r s GLU 209 Ca -0.04 -0.56 -0.05 0.00 -0.41 0.00 0.00 54.97 53.91 1s3r s GLU 209 Cb -0.13 -1.42 -0.01 0.00 -1.78 0.00 0.00 34.13 30.79 1s3r s GLU 209 CO -0.02 0.23 0.09 0.45 -0.49 0.00 0.00 175.26 175.52 1s3r s SER 210 N 0.03 0.12 0.14 -0.19 0.15 -1.26 -0.61 113.70 112.08 1s3r s SER 210 Ca -0.03 -0.38 -0.22 0.00 0.70 0.00 0.00 55.95 56.02 1s3r s SER 210 Cb -0.11 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1s3r s SER 210 CO 0.02 -0.41 0.57 -0.51 1.20 0.00 0.00 173.24 174.11 1s3r s ILE 211 N -1.83 0.01 0.01 6.45 2.07 0.18 -4.99 121.20 123.11 1s3r s ILE 211 Ca -0.12 -0.10 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 1s3r s ILE 211 Cb -0.06 -1.03 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 1s3r s ILE 211 CO -0.01 -0.06 1.07 -0.55 -1.91 0.00 0.00 174.94 173.48 1s3r s SER 212 N -2.64 7.25 -0.19 4.50 0.15 -1.26 -0.61 113.70 120.90 1s3r s SER 212 Ca 0.00 1.79 -0.29 0.00 0.70 0.00 0.00 55.95 58.15 1s3r s SER 212 Cb -0.00 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 1s3r s SER 212 CO -0.11 -0.36 1.37 0.00 1.20 0.00 0.00 173.24 175.35 1s3r s ALA 213 N 1.13 3.52 0.10 5.45 0.00 -0.79 -4.82 121.76 126.35 1s3r s ALA 213 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1s3r s ALA 213 Cb -0.24 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1s3r s ALA 213 CO 0.28 -1.47 0.00 1.04 0.00 0.00 0.00 175.76 175.60 1s3r n GLN 214 N 7.02 0.00 -4.32 0.00 1.13 -1.26 -4.72 117.38 115.22 1s3r n GLN 214 Ca 0.15 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.97 1s3r n GLN 214 Cb 0.45 -0.44 -0.12 0.00 0.11 0.00 0.00 30.24 30.24 1s3r n GLN 214 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1s3r s SER 215 N -5.72 2.73 0.26 1.08 0.15 -1.26 -4.95 113.70 105.99 1s3r s SER 215 Ca 0.00 -0.77 -0.00 0.00 0.70 0.00 0.00 55.95 55.88 1s3r s SER 215 Cb 0.00 -0.16 0.36 0.00 -1.71 0.00 0.00 66.02 64.50 1s3r s SER 215 CO 0.00 0.04 1.73 -0.03 1.20 0.00 0.00 173.24 176.18 1s3r h MET 216 N 3.70 0.67 -0.17 5.44 4.05 -1.98 -1.17 114.93 125.47 1s3r h MET 216 Ca -0.45 -0.21 -0.11 0.00 -0.28 0.00 0.00 59.70 58.64 1s3r h MET 216 Cb 1.19 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.92 1s3r h MET 216 CO 0.44 0.77 -0.39 1.03 0.23 0.00 0.00 176.91 178.99 1s3r h SER 217 N 0.61 0.38 0.51 1.39 0.87 -1.96 -1.83 113.55 113.53 1s3r h SER 217 Ca 0.11 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.36 1s3r h SER 217 Cb 0.56 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1s3r h SER 217 CO 0.03 0.74 -0.65 -0.61 -0.53 0.00 0.00 176.83 175.81 1s3r h GLN 218 N 0.31 0.13 -0.00 2.24 4.15 -1.81 -2.92 115.11 117.20 1s3r h GLN 218 Ca 0.03 -0.10 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 1s3r h GLN 218 Cb 0.82 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1s3r h GLN 218 CO 0.07 0.73 -0.79 -0.07 -1.93 0.00 0.00 178.83 176.84 1s3r h LEU 219 N 0.09 0.07 -0.71 -2.39 3.38 -0.95 -3.05 115.31 111.75 1s3r h LEU 219 Ca -0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1s3r h LEU 219 Cb 1.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1s3r h LEU 219 CO 0.09 0.83 -0.42 1.56 0.09 0.00 0.00 178.44 180.59 1s3r h GLN 220 N 0.03 0.49 -0.43 1.13 4.20 -1.28 -0.53 115.11 118.73 1s3r h GLN 220 Ca -0.02 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1s3r h GLN 220 Cb 1.38 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1s3r h GLN 220 CO 0.11 0.83 0.08 0.00 -0.67 0.00 0.00 178.83 179.18 1s3r h ALA 221 N 1.14 0.56 -0.06 3.87 0.00 -1.41 0.47 119.26 123.84 1s3r h ALA 221 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1s3r h ALA 221 Cb 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1s3r h ALA 221 CO 0.08 0.27 -0.11 -0.22 0.00 0.00 0.00 179.25 179.27 1s3r h LYS 222 N 0.56 0.17 0.00 0.00 1.63 -1.53 -3.36 116.57 114.04 1s3r h LYS 222 Ca 0.13 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 1s3r h LYS 222 Cb 0.36 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1s3r h LYS 222 CO 0.01 0.69 -1.28 1.19 -3.45 0.00 0.00 179.45 176.61 1s3r n PHE 223 N -4.66 0.81 0.00 1.91 3.01 -0.21 -5.02 117.46 113.30 1s3r n PHE 223 Ca -0.08 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1s3r n PHE 223 Cb 0.35 -0.93 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 1s3r n PHE 223 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s3r n GLY 224 N 1.26 2.94 0.32 1.37 0.00 0.17 -4.80 105.19 106.44 1s3r n GLY 224 Ca -0.04 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1s3r n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3r h ALA 225 N 0.00 1.17 -0.19 4.61 0.00 -1.78 -1.09 119.26 121.98 1s3r h ALA 225 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1s3r h ALA 225 Cb 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1s3r h ALA 225 CO 0.00 -0.54 -0.01 -0.25 0.00 0.00 0.00 179.25 178.45 1s3r n ASP 226 N -5.40 -0.03 -0.21 0.00 9.92 -1.25 -3.17 116.55 116.42 1s3r n ASP 226 Ca 0.22 0.33 0.01 0.00 -0.53 0.00 0.00 54.79 54.82 1s3r n ASP 226 Cb 0.72 -0.11 0.12 0.00 -0.64 0.00 0.00 41.12 41.20 1s3r n ASP 226 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1s3r h PHE 227 N 0.00 0.34 -1.47 1.24 3.57 -1.50 -0.85 116.94 118.27 1s3r h PHE 227 Ca 0.11 0.03 0.45 0.00 3.53 0.00 0.00 57.97 62.09 1s3r h PHE 227 Cb 0.22 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1s3r h PHE 227 CO -0.11 0.05 1.00 0.66 -2.23 0.00 0.00 178.31 177.68 1s3r h SER 228 N 0.36 0.15 0.00 0.41 4.64 -1.80 0.83 113.55 118.14 1s3r h SER 228 Ca 0.33 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1s3r h SER 228 Cb 0.45 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1s3r h SER 228 CO -0.36 -0.08 0.00 0.29 -0.87 0.00 0.00 176.83 175.81 1s3r n LYS 229 N -4.39 0.00 -0.26 4.77 5.02 -0.34 -3.57 118.16 119.39 1s3r n LYS 229 Ca 0.37 0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.78 1s3r n LYS 229 Cb 1.53 -0.48 0.06 0.00 -0.02 0.00 0.00 35.03 36.12 1s3r n LYS 229 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s3r n VAL 230 N -1.41 -0.34 1.18 -0.18 0.31 -1.12 0.57 118.33 117.35 1s3r n VAL 230 Ca 0.00 1.64 0.13 0.00 -0.01 0.00 0.00 64.34 66.10 1s3r n VAL 230 Cb 0.00 -2.21 0.64 0.00 -0.91 0.00 0.00 33.84 31.36 1s3r n VAL 230 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s3r n GLY 231 N -1.38 -1.17 0.27 2.92 0.00 0.29 -4.46 105.19 101.65 1s3r n GLY 231 Ca 0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1s3r n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3r h ALA 232 N 3.18 -0.39 0.00 4.61 0.00 0.09 -2.30 119.26 124.44 1s3r h ALA 232 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s3r h ALA 232 Cb 0.27 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s3r h ALA 232 CO 0.00 -0.76 0.57 -1.35 0.00 0.00 0.00 179.25 177.71 1s3r h PRO 233 N -0.43 0.00 -0.00 0.00 0.11 -1.78 0.10 132.00 130.00 1s3r h PRO 233 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1s3r h PRO 233 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1s3r h PRO 233 CO -0.13 0.00 -0.12 1.28 -0.21 0.00 0.00 178.00 178.82 1s3r n LEU 234 N -2.45 0.24 -2.52 2.35 4.77 -0.87 -5.00 117.00 113.52 1s3r n LEU 234 Ca -0.01 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 1s3r n LEU 234 Cb 0.60 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1s3r n LEU 234 CO 0.06 0.05 -0.31 0.59 -1.33 0.00 0.00 177.39 176.45 1s3r n ASN 235 N -1.29 -4.47 -4.66 -1.43 4.13 0.35 -4.84 115.26 103.05 1s3r n ASN 235 Ca 0.10 0.18 -0.41 0.00 1.68 0.00 0.00 54.58 56.13 1s3r n ASN 235 Cb 0.30 -1.12 -0.04 0.00 -1.54 0.00 0.00 39.78 37.38 1s3r n ASN 235 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1s3r s VAL 236 N -0.80 4.89 -0.48 2.41 1.01 -1.26 -4.99 120.40 121.19 1s3r s VAL 236 Ca 0.07 1.54 -0.22 0.00 0.00 0.00 0.00 61.98 63.37 1s3r s VAL 236 Cb -0.01 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1s3r s VAL 236 CO 0.17 0.01 0.74 -0.62 0.00 0.00 0.00 175.10 175.40 1s3r s ASP 237 N 1.22 6.33 0.14 3.32 2.15 -1.26 -4.92 116.67 123.66 1s3r s ASP 237 Ca 0.36 -0.39 0.02 0.00 0.43 0.00 0.00 52.55 52.97 1s3r s ASP 237 Cb -0.16 -2.36 -0.08 0.00 -0.30 0.00 0.00 42.92 40.02 1s3r s ASP 237 CO 0.10 -0.93 1.32 -0.26 -0.17 0.00 0.00 175.17 175.24 1s3r h PHE 238 N 9.02 0.26 -0.56 -5.34 -1.00 -1.94 -3.16 116.94 114.21 1s3r h PHE 238 Ca -0.26 -0.16 0.03 0.00 2.81 0.00 0.00 57.97 60.40 1s3r h PHE 238 Cb 1.09 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.59 1s3r h PHE 238 CO 0.79 1.02 0.33 0.66 -1.61 0.00 0.00 178.31 179.50 1s3r h SER 239 N 0.08 0.51 -0.81 2.17 4.64 -1.96 -1.09 113.55 117.09 1s3r h SER 239 Ca -0.05 0.01 0.23 0.00 -0.47 0.00 0.00 61.79 61.51 1s3r h SER 239 Cb 1.63 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.58 1s3r h SER 239 CO 0.14 0.36 0.58 0.28 -0.87 0.00 0.00 176.83 177.32 1s3r h SER 240 N 0.64 0.06 0.07 4.97 0.02 -1.94 0.69 113.55 118.05 1s3r h SER 240 Ca 0.23 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1s3r h SER 240 Cb 0.06 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1s3r h SER 240 CO -0.12 0.02 -0.61 0.58 -1.14 0.00 0.00 176.83 175.57 1s3r h VAL 241 N 0.06 1.51 -0.25 2.27 2.07 -1.53 -1.91 116.25 118.46 1s3r h VAL 241 Ca 0.39 -2.41 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1s3r h VAL 241 Cb 1.47 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 34.35 1s3r h VAL 241 CO -0.03 0.63 -0.02 0.45 0.02 0.00 0.00 177.57 178.63 1s3r h HIS 242 N -0.68 0.38 -0.00 1.57 3.86 -0.20 -0.40 115.15 119.68 1s3r h HIS 242 Ca -0.13 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1s3r h HIS 242 Cb 1.37 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1s3r h HIS 242 CO 0.21 0.40 -0.04 1.63 0.86 0.00 0.00 177.93 180.99 1s3r n LYS 243 N -4.32 0.15 -2.79 2.45 5.02 0.23 -4.97 118.16 113.93 1s3r n LYS 243 Ca 0.00 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.13 1s3r n LYS 243 Cb 0.22 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1s3r n LYS 243 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s3r n GLY 244 N 1.43 -0.10 0.07 0.72 0.00 -0.16 -4.90 105.19 102.25 1s3r n GLY 244 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1s3r n GLY 244 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s3r n GLU 245 N -2.94 1.58 -4.42 1.61 0.28 -0.97 -5.01 120.64 110.77 1s3r n GLU 245 Ca -0.07 -0.01 -0.24 0.00 -0.16 0.00 0.00 57.16 56.68 1s3r n GLU 245 Cb 0.58 -1.37 -0.09 0.00 1.43 0.00 0.00 31.44 31.98 1s3r n GLU 245 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1s3r s LYS 246 N -2.38 1.85 -0.29 3.44 1.02 -0.76 -4.53 119.74 118.09 1s3r s LYS 246 Ca -0.07 -1.68 0.02 0.00 0.02 0.00 0.00 55.97 54.26 1s3r s LYS 246 Cb 0.05 -1.88 0.08 0.00 -0.52 0.00 0.00 37.83 35.56 1s3r s LYS 246 CO 0.59 0.33 -0.01 -1.14 -0.92 0.00 0.00 175.35 174.21 1s3r s GLN 247 N -3.56 1.57 0.07 1.68 0.74 -0.85 -4.27 119.66 115.04 1s3r s GLN 247 Ca 0.30 -1.40 -0.12 0.00 0.05 0.00 0.00 55.36 54.19 1s3r s GLN 247 Cb -0.05 -2.80 -0.06 0.00 1.10 0.00 0.00 33.01 31.20 1s3r s GLN 247 CO 0.16 -0.77 0.43 0.08 -0.55 0.00 0.00 175.29 174.64 1s3r s VAL 248 N 1.18 5.03 0.10 1.34 1.01 -1.26 -2.90 120.40 124.90 1s3r s VAL 248 Ca 0.02 0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.67 1s3r s VAL 248 Cb -0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1s3r s VAL 248 CO -0.09 0.36 -0.11 -0.36 0.00 0.00 0.00 175.10 174.90 1s3r s PHE 249 N -1.32 1.11 -0.01 5.22 0.40 -0.43 -1.88 117.98 121.07 1s3r s PHE 249 Ca 0.31 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1s3r s PHE 249 Cb -0.15 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.78 1s3r s PHE 249 CO 0.17 0.02 -0.04 0.42 0.70 0.00 0.00 175.22 176.50 1s3r s ILE 250 N -2.29 0.34 0.04 0.64 -1.09 0.22 -1.64 121.20 117.43 1s3r s ILE 250 Ca 0.05 -0.13 0.04 0.00 -2.23 0.00 0.00 60.65 58.37 1s3r s ILE 250 Cb -0.04 -0.32 -0.02 0.00 -1.58 0.00 0.00 42.46 40.50 1s3r s ILE 250 CO 0.01 0.12 -0.11 0.00 -1.23 0.00 0.00 174.94 173.73 1s3r s ALA 251 N 0.21 0.89 -0.13 9.38 0.00 -0.41 -0.64 121.76 131.06 1s3r s ALA 251 Ca -0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1s3r s ALA 251 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1s3r s ALA 251 CO -0.00 0.13 -0.05 1.21 0.00 0.00 0.00 175.76 177.05 1s3r s ASN 252 N -1.16 4.74 -0.16 0.00 3.84 0.22 -1.12 114.94 121.30 1s3r s ASN 252 Ca -0.02 -0.10 0.02 0.00 0.21 0.00 0.00 52.86 52.97 1s3r s ASN 252 Cb -0.08 -1.61 0.01 0.00 -0.55 0.00 0.00 41.25 39.02 1s3r s ASN 252 CO 0.01 0.23 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.98 1s3r s PHE 253 N 0.01 2.69 -0.25 0.43 0.40 0.01 -2.21 117.98 119.06 1s3r s PHE 253 Ca 0.00 -1.46 0.02 0.00 -0.60 0.00 0.00 56.93 54.89 1s3r s PHE 253 Cb -0.13 -1.84 0.06 0.00 0.51 0.00 0.00 43.02 41.62 1s3r s PHE 253 CO 0.03 -0.69 -0.07 1.03 0.70 0.00 0.00 175.22 176.22 1s3r s ARG 254 N 1.01 1.83 -0.51 0.44 0.52 -0.82 -0.44 118.95 121.00 1s3r s ARG 254 Ca -0.02 -1.19 -0.15 0.00 -0.52 0.00 0.00 55.73 53.85 1s3r s ARG 254 Cb -0.14 -2.73 0.11 0.00 0.52 0.00 0.00 34.95 32.70 1s3r s ARG 254 CO -0.06 -0.62 0.44 -0.65 0.02 0.00 0.00 175.30 174.43 1s3r s GLN 255 N 1.25 2.92 -0.14 3.54 -0.21 0.37 -0.26 119.66 127.12 1s3r s GLN 255 Ca -0.06 -1.59 -0.20 0.00 0.02 0.00 0.00 55.36 53.53 1s3r s GLN 255 Cb -0.19 -4.18 -0.03 0.00 1.00 0.00 0.00 33.01 29.60 1s3r s GLN 255 CO -0.06 -1.20 0.58 0.08 -2.12 0.00 0.00 175.29 172.57 1s3r s VAL 256 N 1.58 5.09 -0.13 1.09 1.01 -0.15 -1.84 120.40 127.05 1s3r s VAL 256 Ca 0.04 1.14 0.10 0.00 0.00 0.00 0.00 61.98 63.25 1s3r s VAL 256 Cb -0.27 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 31.96 1s3r s VAL 256 CO 0.04 0.22 0.32 -1.22 0.00 0.00 0.00 175.10 174.46 1s3r n TYR 257 N 4.27 0.61 -3.63 5.22 0.53 -0.45 -1.03 117.16 122.67 1s3r n TYR 257 Ca -0.04 0.19 -0.06 0.00 -1.02 0.00 0.00 57.90 56.97 1s3r n TYR 257 Cb 0.51 -1.10 -0.02 0.00 -1.03 0.00 0.00 39.34 37.70 1s3r n TYR 257 CO 0.00 0.00 0.00 1.52 -1.02 0.00 0.00 176.86 177.36 1s3r s TYR 258 N -2.55 -0.24 0.13 -0.72 -0.85 -1.21 -4.91 117.35 107.00 1s3r s TYR 258 Ca -0.13 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.47 1s3r s TYR 258 Cb 0.07 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 1s3r s TYR 258 CO 0.79 -0.71 -0.09 0.99 -1.52 0.00 0.00 175.55 175.01 1s3r s THR 259 N -3.24 0.99 -0.38 -3.49 2.01 -1.26 -1.68 115.64 108.58 1s3r s THR 259 Ca 0.09 -1.99 0.01 0.00 0.31 0.00 0.00 61.69 60.11 1s3r s THR 259 Cb -0.01 -1.75 0.12 0.00 0.01 0.00 0.00 72.50 70.86 1s3r s THR 259 CO -0.03 -0.78 0.16 0.00 -0.69 0.00 0.00 174.62 173.28 1s3r s ALA 260 N -3.37 2.10 -0.03 7.40 0.00 -0.34 -2.52 121.76 125.01 1s3r s ALA 260 Ca 0.14 -2.28 -0.11 0.00 0.00 0.00 0.00 51.96 49.71 1s3r s ALA 260 Cb 0.03 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1s3r s ALA 260 CO -0.01 -1.85 0.32 -1.54 0.00 0.00 0.00 175.76 172.67 1s3r s SER 261 N 0.88 6.65 -0.06 0.00 1.04 -0.25 -2.17 113.70 119.79 1s3r s SER 261 Ca 0.14 0.78 -0.13 0.00 0.48 0.00 0.00 55.95 57.21 1s3r s SER 261 Cb -0.21 -2.18 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 1s3r s SER 261 CO -0.11 0.33 0.33 0.54 0.98 0.00 0.00 173.24 175.32 1s3r s VAL 262 N -1.11 5.19 0.01 5.02 0.11 0.10 -0.99 120.40 128.73 1s3r s VAL 262 Ca 0.22 0.65 -0.30 0.00 -2.93 0.00 0.00 61.98 59.63 1s3r s VAL 262 Cb -0.15 -3.63 -0.08 0.00 -1.53 0.00 0.00 36.38 30.99 1s3r s VAL 262 CO 0.11 0.54 1.83 -1.81 -3.33 0.00 0.00 175.10 172.44 1s3r s ASP 263 N -0.69 6.54 -0.00 3.54 1.01 -1.10 -4.91 116.67 121.05 1s3r s ASP 263 Ca 0.21 2.50 -0.39 0.00 0.71 0.00 0.00 52.55 55.58 1s3r s ASP 263 Cb -0.15 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 41.06 1s3r s ASP 263 CO 0.09 -1.00 1.22 -1.54 0.21 0.00 0.00 175.17 174.16 1s3r n SER 264 N 7.23 0.77 -4.78 0.27 3.41 -1.26 -4.74 113.62 114.51 1s3r n SER 264 Ca 0.19 1.14 -0.35 0.00 -0.26 0.00 0.00 58.87 59.59 1s3r n SER 264 Cb 0.42 -1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1s3r n SER 264 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1s3r s PRO 265 N 0.47 3.81 0.45 4.33 0.04 -1.26 -4.94 135.00 137.89 1s3r s PRO 265 Ca 0.89 1.52 0.18 0.00 0.04 0.00 0.00 61.00 63.63 1s3r s PRO 265 Cb -1.15 -2.25 1.13 0.00 0.04 0.00 0.00 34.50 32.27 1s3r s PRO 265 CO 0.55 -0.45 1.93 -0.91 0.04 0.00 0.00 177.00 178.15 1s3r h ASN 266 N 1.82 0.30 -4.97 6.66 2.35 -1.97 -3.44 115.58 116.33 1s3r h ASN 266 Ca -0.49 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.30 1s3r h ASN 266 Cb 1.23 -0.04 -0.11 0.00 0.05 0.00 0.00 38.32 39.45 1s3r h ASN 266 CO 0.60 0.16 0.26 -0.94 -1.65 0.00 0.00 177.43 175.86 1s3r s SER 267 N -5.98 -0.45 0.22 5.81 1.04 -1.26 -5.05 113.70 108.04 1s3r s SER 267 Ca -0.07 -0.17 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 1s3r s SER 267 Cb 0.21 0.60 0.36 0.00 0.10 0.00 0.00 66.02 67.29 1s3r s SER 267 CO 0.76 -1.01 1.68 -0.65 0.98 0.00 0.00 173.24 174.99 1s3r h PRO 268 N 2.00 0.18 -0.83 4.02 0.11 -1.85 -2.06 132.00 133.57 1s3r h PRO 268 Ca -0.28 -0.01 0.35 0.00 0.11 0.00 0.00 66.00 66.16 1s3r h PRO 268 Cb 1.28 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 1s3r h PRO 268 CO 0.33 0.12 0.44 -1.13 -0.21 0.00 0.00 178.00 177.55 1s3r n SER 269 N -5.22 0.28 0.26 -2.05 3.41 -1.26 -1.55 113.62 107.49 1s3r n SER 269 Ca 0.11 1.38 0.16 0.00 -0.26 0.00 0.00 58.87 60.26 1s3r n SER 269 Cb 0.39 -0.67 0.57 0.00 -0.26 0.00 0.00 64.21 64.24 1s3r n SER 269 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s3r h ALA 270 N 1.66 1.00 -0.10 7.33 0.00 -1.76 -2.58 119.26 124.81 1s3r h ALA 270 Ca 0.70 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.50 1s3r h ALA 270 Cb 1.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1s3r h ALA 270 CO -0.64 0.00 -0.46 -0.07 0.00 0.00 0.00 179.25 178.08 1s3r h LEU 271 N 0.00 0.26 -9.94 0.00 3.38 -1.46 -3.36 115.31 104.19 1s3r h LEU 271 Ca 0.00 -0.12 -0.57 0.00 0.09 0.00 0.00 57.88 57.28 1s3r h LEU 271 Cb 0.61 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1s3r h LEU 271 CO 0.00 0.69 -0.28 -0.36 0.09 0.00 0.00 178.44 178.58 1s3r s PHE 272 N -4.05 3.47 0.63 1.13 0.40 -0.97 -1.27 117.98 117.32 1s3r s PHE 272 Ca -0.04 0.62 -0.16 0.00 -0.60 0.00 0.00 56.93 56.75 1s3r s PHE 272 Cb 0.13 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1s3r s PHE 272 CO 0.78 0.41 1.10 0.20 0.70 0.00 0.00 175.22 178.41 1s3r s GLY 273 N -2.38 2.20 -0.07 4.36 0.00 -0.83 -3.67 107.32 106.93 1s3r s GLY 273 Ca 0.41 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.37 1s3r s GLY 273 CO 0.24 0.88 1.50 -1.35 0.00 0.00 0.00 173.10 174.37 1s3r s SER 274 N -2.55 6.77 0.00 1.64 1.04 -1.26 -2.48 113.70 116.86 1s3r s SER 274 Ca 0.67 2.07 0.00 0.00 0.48 0.00 0.00 55.95 59.17 1s3r s SER 274 Cb -0.20 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1s3r s SER 274 CO 0.39 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1s3r n GLY 275 N 3.90 1.54 3.81 7.32 0.00 -1.26 -5.13 105.19 115.38 1s3r n GLY 275 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1s3r n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3r s ILE 276 N -1.64 3.98 0.02 -0.61 -1.09 -1.03 -5.04 121.20 115.78 1s3r s ILE 276 Ca 0.00 0.85 -0.00 0.00 -2.23 0.00 0.00 60.65 59.27 1s3r s ILE 276 Cb 0.00 -3.44 -0.02 0.00 -1.58 0.00 0.00 42.46 37.42 1s3r s ILE 276 CO 0.00 -0.64 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.17 1s3r s THR 277 N -2.65 0.10 0.55 2.92 2.01 -1.26 -4.90 115.64 112.41 1s3r s THR 277 Ca 0.61 -0.84 0.35 0.00 0.31 0.00 0.00 61.69 62.13 1s3r s THR 277 Cb -0.15 -0.25 0.53 0.00 0.01 0.00 0.00 72.50 72.64 1s3r s THR 277 CO 0.41 -0.46 1.82 -0.65 -0.69 0.00 0.00 174.62 175.05 1s3r h PRO 278 N 4.73 0.00 0.01 4.92 0.11 -1.93 -0.53 132.00 139.30 1s3r h PRO 278 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1s3r h PRO 278 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s3r h PRO 278 CO 0.42 0.00 -0.00 1.15 -0.21 0.00 0.00 178.00 179.35 1s3r h THR 279 N 0.00 1.28 -1.02 -1.15 2.02 -1.99 -1.79 112.91 110.26 1s3r h THR 279 Ca 0.51 -0.86 0.25 0.00 0.77 0.00 0.00 66.41 67.08 1s3r h THR 279 Cb 2.09 1.86 -0.11 0.00 -1.74 0.00 0.00 68.15 70.25 1s3r h THR 279 CO -0.01 0.22 0.63 0.44 0.37 0.00 0.00 175.52 177.18 1s3r h ASP 280 N -0.38 0.58 0.70 4.18 3.32 -1.49 -0.72 116.42 122.61 1s3r h ASP 280 Ca -0.00 0.11 -0.26 0.00 0.02 0.00 0.00 57.03 56.90 1s3r h ASP 280 Cb 0.37 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1s3r h ASP 280 CO 0.00 0.11 -1.39 -0.07 -1.72 0.00 0.00 179.24 176.17 1s3r h LEU 281 N 0.51 0.04 0.18 1.55 3.38 -1.40 -2.86 115.31 116.70 1s3r h LEU 281 Ca 0.62 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.52 1s3r h LEU 281 Cb 1.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1s3r h LEU 281 CO -0.39 1.05 -0.09 0.40 0.09 0.00 0.00 178.44 179.51 1s3r h ILE 282 N 0.01 0.84 -0.88 1.22 1.08 -0.50 -0.52 117.51 118.75 1s3r h ILE 282 Ca -0.16 -0.06 0.14 0.00 -0.39 0.00 0.00 64.86 64.39 1s3r h ILE 282 Cb 1.91 0.87 -0.07 0.00 -3.07 0.00 0.00 36.82 36.46 1s3r h ILE 282 CO 0.11 0.01 0.57 0.78 -0.69 0.00 0.00 178.15 178.93 1s3r h ASN 283 N -0.27 0.63 -0.12 1.72 2.35 -1.23 -2.34 115.58 116.31 1s3r h ASN 283 Ca -0.02 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1s3r h ASN 283 Cb 0.21 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1s3r h ASN 283 CO 0.04 0.32 0.00 0.54 -1.65 0.00 0.00 177.43 176.68 1s3r n ARG 284 N -4.55 1.35 -1.28 0.81 3.00 -0.98 -4.89 116.66 110.12 1s3r n ARG 284 Ca 0.17 -0.46 -0.10 0.00 -0.01 0.00 0.00 57.85 57.45 1s3r n ARG 284 Cb 0.47 -1.20 -0.04 0.00 0.00 0.00 0.00 32.46 31.70 1s3r n ARG 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s3r n GLY 285 N 0.58 1.13 3.40 -0.13 0.00 -0.88 -4.99 105.19 104.30 1s3r n GLY 285 Ca 0.04 -0.52 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 1s3r n GLY 285 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3r s VAL 286 N -2.33 4.76 0.00 1.61 1.01 -0.24 -4.62 120.40 120.59 1s3r s VAL 286 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1s3r s VAL 286 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1s3r s VAL 286 CO 0.00 -1.24 0.00 -0.46 0.00 0.00 0.00 175.10 173.40 1s3r n ASN 287 N 6.48 0.00 0.19 3.32 0.23 -1.13 -4.32 115.26 120.03 1s3r n ASN 287 Ca -0.02 -0.88 0.05 0.00 -0.53 0.00 0.00 54.58 53.20 1s3r n ASN 287 Cb 0.44 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.48 1s3r n ASN 287 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1s3r h SER 288 N 0.00 0.00 -0.18 0.53 0.02 -1.93 -1.51 113.55 110.48 1s3r h SER 288 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1s3r h SER 288 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s3r h SER 288 CO 0.00 0.38 -0.30 0.11 -1.14 0.00 0.00 176.83 175.88 1s3r h LYS 289 N 0.00 0.52 -2.78 3.45 1.57 -1.94 -3.40 116.57 113.99 1s3r h LYS 289 Ca -0.00 -0.32 -0.60 0.00 -1.87 0.00 0.00 60.65 57.85 1s3r h LYS 289 Cb 0.88 0.03 -0.40 0.00 0.08 0.00 0.00 32.23 32.83 1s3r h LYS 289 CO 0.05 0.92 -0.78 0.95 -0.57 0.00 0.00 179.45 180.02 1s3r s THR 290 N -4.11 1.34 0.64 -0.16 -4.23 -1.20 -4.93 115.64 102.99 1s3r s THR 290 Ca -0.13 -2.95 -0.11 0.00 -1.18 0.00 0.00 61.69 57.32 1s3r s THR 290 Cb 0.06 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 1s3r s THR 290 CO 0.80 -1.04 1.04 -2.16 -0.54 0.00 0.00 174.62 172.72 1s3r s PRO 291 N -0.13 3.46 0.39 3.99 0.04 -0.57 -2.85 135.00 139.33 1s3r s PRO 291 Ca 0.24 0.79 -0.23 0.00 0.04 0.00 0.00 61.00 61.85 1s3r s PRO 291 Cb -0.10 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1s3r s PRO 291 CO -0.10 -0.68 0.95 -1.25 0.04 0.00 0.00 177.00 175.96 1s3r s PRO 292 N -5.15 4.36 0.26 0.56 0.04 -1.26 -1.98 135.00 131.83 1s3r s PRO 292 Ca 0.56 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.84 1s3r s PRO 292 Cb -0.12 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1s3r s PRO 292 CO 0.54 0.08 0.05 0.14 0.04 0.00 0.00 177.00 177.85 1s3r s VAL 293 N -1.94 0.86 0.04 -0.36 -7.23 -0.52 -1.53 120.40 109.72 1s3r s VAL 293 Ca 0.57 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1s3r s VAL 293 Cb -0.13 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1s3r s VAL 293 CO 0.18 -0.12 -0.07 -0.72 -0.31 0.00 0.00 175.10 174.06 1s3r s TYR 294 N -3.54 0.58 -0.46 2.82 -0.85 -0.42 -1.27 117.35 114.20 1s3r s TYR 294 Ca 0.34 -0.48 -0.28 0.00 -0.52 0.00 0.00 57.07 56.13 1s3r s TYR 294 Cb 0.07 -0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.04 1s3r s TYR 294 CO 0.12 -0.10 1.77 0.08 -1.52 0.00 0.00 175.55 175.90 1s3r s VAL 295 N -1.33 3.48 -0.05 -3.49 1.01 -0.97 -1.52 120.40 117.53 1s3r s VAL 295 Ca -0.11 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1s3r s VAL 295 Cb -0.10 -3.85 -0.28 0.00 0.00 0.00 0.00 36.38 32.15 1s3r s VAL 295 CO 0.00 -0.68 0.65 0.77 0.00 0.00 0.00 175.10 175.84 1s3r h SER 296 N 13.45 0.45 -4.29 3.32 4.64 -0.91 -1.31 113.55 128.90 1s3r h SER 296 Ca -0.29 -0.75 -0.51 0.00 -0.47 0.00 0.00 61.79 59.77 1s3r h SER 296 Cb 1.16 -0.15 -0.27 0.00 -0.31 0.00 0.00 62.40 62.83 1s3r h SER 296 CO 1.12 1.64 -0.82 0.20 -0.87 0.00 0.00 176.83 178.10 1s3r s ASN 297 N -7.04 1.98 -0.11 4.97 0.01 -1.12 0.01 114.94 113.63 1s3r s ASN 297 Ca -0.14 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.60 1s3r s ASN 297 Cb 0.06 -0.17 0.02 0.00 0.41 0.00 0.00 41.25 41.57 1s3r s ASN 297 CO 0.83 0.13 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.71 1s3r s VAL 298 N -0.67 1.45 -0.10 1.60 1.01 -0.92 -1.15 120.40 121.61 1s3r s VAL 298 Ca 0.05 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1s3r s VAL 298 Cb -0.08 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1s3r s VAL 298 CO 0.01 0.43 0.12 -0.44 0.00 0.00 0.00 175.10 175.22 1s3r s SER 299 N 1.08 6.20 0.07 3.32 0.01 0.11 -1.20 113.70 123.28 1s3r s SER 299 Ca -0.05 0.40 0.07 0.00 1.31 0.00 0.00 55.95 57.69 1s3r s SER 299 Cb -0.15 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 1s3r s SER 299 CO -0.03 0.39 -0.17 -0.31 0.41 0.00 0.00 173.24 173.53 1s3r s TYR 300 N -1.04 2.58 -0.11 2.43 1.51 -0.68 0.15 117.35 122.19 1s3r s TYR 300 Ca 0.16 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1s3r s TYR 300 Cb -0.12 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1s3r s TYR 300 CO 0.05 0.31 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 1s3r n GLY 301 N 1.26 -0.16 3.07 0.71 0.00 0.84 -1.34 105.19 109.58 1s3r n GLY 301 Ca -0.16 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1s3r n GLY 301 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3r s ARG 302 N -2.00 1.19 0.10 1.61 0.52 -0.77 -3.88 118.95 115.72 1s3r s ARG 302 Ca 0.00 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1s3r s ARG 302 Cb 0.00 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.33 1s3r s ARG 302 CO 0.00 0.21 -0.10 0.00 0.02 0.00 0.00 175.30 175.43 1s3r s ALA 303 N -0.04 1.10 0.03 2.13 0.00 -0.57 -0.48 121.76 123.93 1s3r s ALA 303 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.64 1s3r s ALA 303 Cb -0.08 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1s3r s ALA 303 CO 0.00 -0.04 0.29 0.00 0.00 0.00 0.00 175.76 176.01 1s3r s MET 304 N -2.81 0.76 -0.06 0.00 0.23 0.42 -0.88 119.30 116.97 1s3r s MET 304 Ca 0.05 -0.45 0.00 0.00 -1.03 0.00 0.00 55.69 54.26 1s3r s MET 304 Cb -0.03 0.33 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1s3r s MET 304 CO -0.00 -0.23 -0.03 0.71 -2.03 0.00 0.00 175.02 173.44 1s3r s TYR 305 N -2.28 3.05 -0.01 3.16 1.51 -1.00 -0.81 117.35 120.97 1s3r s TYR 305 Ca -0.07 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1s3r s TYR 305 Cb -0.02 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1s3r s TYR 305 CO -0.02 0.41 -0.02 0.08 -1.11 0.00 0.00 175.55 174.89 1s3r s VAL 306 N -0.90 0.25 -0.12 0.71 1.01 -0.27 -1.47 120.40 119.61 1s3r s VAL 306 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1s3r s VAL 306 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1s3r s VAL 306 CO 0.04 0.10 -0.04 -0.75 0.00 0.00 0.00 175.10 174.45 1s3r s LYS 307 N 0.28 3.28 -0.10 2.72 2.20 0.11 -1.29 119.74 126.94 1s3r s LYS 307 Ca -0.03 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1s3r s LYS 307 Cb -0.05 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1s3r s LYS 307 CO -0.01 0.45 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.20 1s3r s PHE 308 N -0.22 2.68 -0.34 4.03 0.40 -0.65 -2.09 117.98 121.79 1s3r s PHE 308 Ca 0.04 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1s3r s PHE 308 Cb -0.13 -1.74 0.11 0.00 0.51 0.00 0.00 43.02 41.77 1s3r s PHE 308 CO 0.02 -0.20 0.11 -1.21 0.70 0.00 0.00 175.22 174.65 1s3r s GLU 309 N 0.10 1.03 0.38 0.44 2.02 -0.48 -1.31 118.70 120.88 1s3r s GLU 309 Ca -0.08 -1.47 -0.03 0.00 0.02 0.00 0.00 54.97 53.41 1s3r s GLU 309 Cb -0.15 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1s3r s GLU 309 CO 0.05 -1.01 0.63 0.99 0.02 0.00 0.00 175.26 175.95 1s3r s THR 310 N 1.18 5.01 -0.20 3.63 2.01 -1.14 -2.62 115.64 123.51 1s3r s THR 310 Ca 0.12 -0.09 0.22 0.00 0.31 0.00 0.00 61.69 62.25 1s3r s THR 310 Cb -0.19 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1s3r s THR 310 CO -0.16 -0.59 0.94 0.35 -0.69 0.00 0.00 174.62 174.46 1s3r n THR 311 N -1.71 0.50 -0.94 -0.82 -2.24 -1.26 -2.00 114.28 105.81 1s3r n THR 311 Ca -0.02 -0.54 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 1s3r n THR 311 Cb 0.55 -0.27 0.09 0.00 -2.10 0.00 0.00 70.33 68.60 1s3r n THR 311 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s3r n SER 312 N -2.59 -3.18 -0.19 3.42 2.88 -1.26 -4.67 113.62 108.02 1s3r n SER 312 Ca -0.01 0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.92 1s3r n SER 312 Cb 0.55 -1.06 0.07 0.00 -0.75 0.00 0.00 64.21 63.02 1s3r n SER 312 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1s3r n LYS 313 N -0.22 0.97 -1.54 -1.46 5.02 -1.26 -4.48 118.16 115.19 1s3r n LYS 313 Ca 0.05 -1.85 -0.29 0.00 -2.02 0.00 0.00 58.31 54.20 1s3r n LYS 313 Cb 0.54 -1.07 0.12 0.00 -0.02 0.00 0.00 35.03 34.59 1s3r n LYS 313 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1s3r s SER 314 N -1.93 3.88 -0.10 4.39 0.15 -1.26 -4.62 113.70 114.21 1s3r s SER 314 Ca 0.17 1.10 -0.26 0.00 0.70 0.00 0.00 55.95 57.66 1s3r s SER 314 Cb 0.15 -1.74 -0.22 0.00 -1.71 0.00 0.00 66.02 62.50 1s3r s SER 314 CO 0.02 -2.34 0.87 0.74 1.20 0.00 0.00 173.24 173.73 1s3r h THR 315 N -1.35 1.47 -0.06 6.45 2.02 -1.98 -3.40 112.91 116.07 1s3r h THR 315 Ca -0.49 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 64.88 1s3r h THR 315 Cb 1.31 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1s3r h THR 315 CO 0.61 0.45 0.00 0.29 0.37 0.00 0.00 175.52 177.23 1s3r n LYS 316 N -4.72 1.14 -0.29 6.66 5.02 -1.26 -4.24 118.16 120.47 1s3r n LYS 316 Ca -0.09 -0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.10 1s3r n LYS 316 Cb 0.37 -1.08 0.24 0.00 -0.02 0.00 0.00 35.03 34.53 1s3r n LYS 316 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s3r h VAL 317 N 0.33 0.29 -0.55 -0.18 2.07 -1.99 0.70 116.25 116.91 1s3r h VAL 317 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1s3r h VAL 317 Cb 0.11 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1s3r h VAL 317 CO 0.00 0.03 0.31 -0.61 0.02 0.00 0.00 177.57 177.32 1s3r h GLN 318 N 0.14 0.76 0.00 1.57 5.75 -1.95 -1.57 115.11 119.82 1s3r h GLN 318 Ca 0.50 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.85 1s3r h GLN 318 Cb 0.96 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1s3r h GLN 318 CO -0.69 0.58 -0.30 0.00 -2.65 0.00 0.00 178.83 175.77 1s3r h ALA 319 N 1.14 1.42 -0.20 3.38 0.00 -1.55 0.13 119.26 123.57 1s3r h ALA 319 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1s3r h ALA 319 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s3r h ALA 319 CO -0.03 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.66 1s3r h ALA 320 N 1.70 0.26 -0.14 0.00 0.00 -0.11 -0.62 119.26 120.35 1s3r h ALA 320 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1s3r h ALA 320 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1s3r h ALA 320 CO 0.04 -0.12 0.03 0.82 0.00 0.00 0.00 179.25 180.02 1s3r h ILE 321 N 0.15 1.20 -0.98 0.00 2.04 -1.13 -2.78 117.51 116.01 1s3r h ILE 321 Ca 0.06 -0.63 0.19 0.00 1.00 0.00 0.00 64.86 65.48 1s3r h ILE 321 Cb 0.23 1.36 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 1s3r h ILE 321 CO -0.00 0.19 0.61 0.44 0.00 0.00 0.00 178.15 179.39 1s3r h ASP 322 N 0.02 0.68 -0.34 1.72 3.32 -0.86 -2.04 116.42 118.92 1s3r h ASP 322 Ca 0.04 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 1s3r h ASP 322 Cb 0.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1s3r h ASP 322 CO 0.00 0.26 -0.39 0.00 -1.72 0.00 0.00 179.24 177.39 1s3r h ALA 323 N 1.62 0.60 0.70 3.45 0.00 -0.89 -2.21 119.26 122.54 1s3r h ALA 323 Ca 0.54 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1s3r h ALA 323 Cb 0.96 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1s3r h ALA 323 CO -0.30 0.68 -0.34 0.28 0.00 0.00 0.00 179.25 179.57 1s3r h VAL 324 N 0.73 0.29 -1.00 0.00 2.07 -1.12 -2.86 116.25 114.37 1s3r h VAL 324 Ca 0.06 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1s3r h VAL 324 Cb 0.98 0.31 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 1s3r h VAL 324 CO 0.09 0.01 0.61 0.58 0.02 0.00 0.00 177.57 178.89 1s3r h VAL 325 N -0.99 0.80 -0.15 2.57 2.07 -1.51 -2.76 116.25 116.28 1s3r h VAL 325 Ca -0.10 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1s3r h VAL 325 Cb 0.73 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1s3r h VAL 325 CO 0.16 0.16 0.12 1.17 0.02 0.00 0.00 177.57 179.20 1s3r n LYS 326 N -4.71 1.23 0.00 1.57 4.81 -0.83 -4.83 118.16 115.41 1s3r n LYS 326 Ca 0.21 -0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.16 1s3r n LYS 326 Cb 0.47 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1s3r n LYS 326 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s3r n GLY 327 N 0.79 2.59 0.00 3.14 0.00 -1.05 -4.83 105.19 105.83 1s3r n GLY 327 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1s3r n GLY 327 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3r n ALA 328 N -0.50 2.12 0.00 4.61 0.00 -1.09 -4.74 120.51 120.90 1s3r n ALA 328 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s3r n ALA 328 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1s3r n ALA 328 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s3r n LYS 329 N -1.33 0.00 -3.81 0.00 5.02 -1.18 -3.98 118.16 112.88 1s3r n LYS 329 Ca 0.09 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 1s3r n LYS 329 Cb 0.19 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.07 1s3r n LYS 329 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1s3r s LEU 330 N 0.00 3.35 -0.25 -0.35 1.43 -1.26 -4.87 118.68 116.72 1s3r s LEU 330 Ca 0.00 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1s3r s LEU 330 Cb 0.00 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.46 1s3r s LEU 330 CO 0.00 -0.07 0.57 -0.54 0.23 0.00 0.00 176.35 176.55 1s3r s LYS 331 N 1.54 0.54 0.00 1.70 1.02 -1.26 -5.15 119.74 118.14 1s3r s LYS 331 Ca 0.05 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1s3r s LYS 331 Cb -0.15 0.35 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1s3r s LYS 331 CO 0.01 -0.18 0.00 0.00 -0.92 0.00 0.00 175.35 174.26 1s3r n ALA 332 N 4.82 0.00 0.00 5.17 0.00 -1.26 -4.32 120.51 124.92 1s3r n ALA 332 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1s3r n ALA 332 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1s3r n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3r n GLY 333 N 4.90 0.00 3.43 0.00 0.00 -1.26 -4.11 105.19 108.15 1s3r n GLY 333 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1s3r n GLY 333 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s3r n THR 334 N 0.00 1.62 -0.31 2.61 -1.04 -1.26 -4.80 114.28 111.10 1s3r n THR 334 Ca 0.00 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.64 1s3r n THR 334 Cb 0.00 -0.40 0.28 0.00 -1.82 0.00 0.00 70.33 68.39 1s3r n THR 334 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1s3r h GLU 335 N 0.88 0.08 -0.15 -2.82 5.08 -1.99 -2.68 114.58 112.97 1s3r h GLU 335 Ca -0.37 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1s3r h GLU 335 Cb 1.41 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1s3r h GLU 335 CO 0.53 0.05 -0.08 0.66 -1.00 0.00 0.00 179.01 179.16 1s3r n TYR 336 N -5.38 -0.05 -0.24 4.33 0.53 -1.26 -1.20 117.16 113.89 1s3r n TYR 336 Ca 0.22 0.19 0.01 0.00 -1.02 0.00 0.00 57.90 57.30 1s3r n TYR 336 Cb 0.71 -0.52 0.04 0.00 -1.03 0.00 0.00 39.34 38.54 1s3r n TYR 336 CO 0.00 0.00 0.00 -0.85 -1.02 0.00 0.00 176.86 174.99 1s3r n GLU 337 N -4.20 -0.12 0.21 -0.72 0.28 -1.01 -1.86 120.64 113.21 1s3r n GLU 337 Ca 0.01 0.97 -0.14 0.00 -0.16 0.00 0.00 57.16 57.84 1s3r n GLU 337 Cb 0.05 -1.45 -0.08 0.00 1.43 0.00 0.00 31.44 31.39 1s3r n GLU 337 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1s3r h ASN 338 N 0.00 -0.45 -0.78 -1.84 2.35 -1.40 -1.69 115.58 111.76 1s3r h ASN 338 Ca 0.24 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1s3r h ASN 338 Cb 0.40 0.12 -0.11 0.00 0.05 0.00 0.00 38.32 38.78 1s3r h ASN 338 CO -0.63 -0.11 -0.56 0.40 -1.65 0.00 0.00 177.43 174.88 1s3r h ILE 339 N -0.82 0.01 -0.56 2.81 2.04 -1.54 -2.32 117.51 117.13 1s3r h ILE 339 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1s3r h ILE 339 Cb 0.54 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1s3r h ILE 339 CO 0.09 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.54 1s3r h LEU 340 N -0.15 0.61 -0.54 1.44 3.38 -1.28 -0.50 115.31 118.27 1s3r h LEU 340 Ca 0.14 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1s3r h LEU 340 Cb 0.49 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1s3r h LEU 340 CO -0.81 0.43 0.17 0.11 0.09 0.00 0.00 178.44 178.43 1s3r h LYS 341 N 0.71 0.84 -2.18 1.13 1.57 -0.87 -3.20 116.57 114.57 1s3r h LYS 341 Ca 0.21 -0.18 -0.68 0.00 -1.87 0.00 0.00 60.65 58.14 1s3r h LYS 341 Cb -0.01 -0.12 -0.21 0.00 0.08 0.00 0.00 32.23 31.97 1s3r h LYS 341 CO -0.05 0.77 1.13 0.09 -0.57 0.00 0.00 179.45 180.82 1s3r n ASN 342 N -4.46 7.26 -3.86 0.86 3.02 -0.21 -4.90 115.26 112.98 1s3r n ASN 342 Ca 0.02 -3.44 -0.16 0.00 -0.03 0.00 0.00 54.58 50.97 1s3r n ASN 342 Cb 0.20 -1.21 -0.15 0.00 -0.61 0.00 0.00 39.78 38.01 1s3r n ASN 342 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s3r s THR 343 N -3.12 0.18 0.05 3.41 2.01 -1.18 -4.20 115.64 112.78 1s3r s THR 343 Ca 0.52 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1s3r s THR 343 Cb 0.32 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.57 1s3r s THR 343 CO -0.23 0.11 -0.12 -0.75 -0.69 0.00 0.00 174.62 172.94 1s3r s LYS 344 N 0.58 2.25 -0.10 4.92 2.47 -1.08 -4.26 119.74 124.52 1s3r s LYS 344 Ca -0.06 -0.90 0.03 0.00 -1.56 0.00 0.00 55.97 53.48 1s3r s LYS 344 Cb -0.09 -2.33 0.01 0.00 -1.46 0.00 0.00 37.83 33.96 1s3r s LYS 344 CO -0.01 0.55 -0.18 0.42 0.16 0.00 0.00 175.35 176.29 1s3r s ILE 345 N -1.03 1.69 0.02 5.43 1.09 -0.58 -1.38 121.20 126.44 1s3r s ILE 345 Ca 0.17 -0.78 0.07 0.00 -1.10 0.00 0.00 60.65 59.01 1s3r s ILE 345 Cb -0.11 -1.50 -0.02 0.00 -1.06 0.00 0.00 42.46 39.77 1s3r s ILE 345 CO 0.08 0.48 -0.20 -0.89 -0.10 0.00 0.00 174.94 174.31 1s3r s THR 346 N 0.71 1.58 -0.21 2.92 2.01 -0.89 -1.60 115.64 120.17 1s3r s THR 346 Ca -0.12 -1.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.70 1s3r s THR 346 Cb -0.16 -1.36 0.06 0.00 0.01 0.00 0.00 72.50 71.06 1s3r s THR 346 CO 0.02 0.27 0.51 0.00 -0.69 0.00 0.00 174.62 174.73 1s3r s ALA 347 N -0.69 -1.34 -0.13 7.40 0.00 -0.42 -0.72 121.76 125.86 1s3r s ALA 347 Ca 0.07 1.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.69 1s3r s ALA 347 Cb -0.08 -1.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.92 1s3r s ALA 347 CO 0.01 -0.30 0.30 0.14 0.00 0.00 0.00 175.76 175.91 1s3r s VAL 348 N 1.31 5.28 -0.26 0.00 -7.23 -0.54 -1.94 120.40 117.03 1s3r s VAL 348 Ca -0.08 0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 60.58 1s3r s VAL 348 Cb -0.07 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1s3r s VAL 348 CO -0.13 0.43 0.11 -0.69 -0.31 0.00 0.00 175.10 174.51 1s3r s VAL 349 N 0.16 4.66 0.02 1.32 1.01 -1.25 -2.38 120.40 123.93 1s3r s VAL 349 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1s3r s VAL 349 Cb -0.13 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1s3r s VAL 349 CO 0.05 0.31 0.12 -0.76 0.00 0.00 0.00 175.10 174.83 1s3r s LEU 350 N 1.62 4.06 0.00 3.92 1.43 -0.06 -2.51 118.68 127.14 1s3r s LEU 350 Ca 0.06 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1s3r s LEU 350 Cb -0.15 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1s3r s LEU 350 CO 0.06 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1s3r n GLY 351 N 0.89 -1.07 2.40 -3.19 0.00 -1.26 -1.51 105.19 101.46 1s3r n GLY 351 Ca -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1s3r n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3r n GLY 352 N 0.70 -2.45 2.23 -0.02 0.00 -1.26 -4.82 105.19 99.56 1s3r n GLY 352 Ca 0.00 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 1s3r n GLY 352 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s3r n ASN 353 N -0.02 -0.36 -4.71 1.61 2.04 -1.26 -4.87 115.26 107.70 1s3r n ASN 353 Ca 0.00 0.74 -0.42 0.00 -0.44 0.00 0.00 54.58 54.46 1s3r n ASN 353 Cb 0.00 -0.60 -0.03 0.00 -2.53 0.00 0.00 39.78 36.62 1s3r n ASN 353 CO 0.00 0.00 0.00 -2.84 -0.44 0.00 0.00 177.26 173.98 1s3r s PRO 354 N -0.28 4.16 0.00 -0.53 0.02 -1.26 -4.21 135.00 132.90 1s3r s PRO 354 Ca 0.51 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1s3r s PRO 354 Cb -0.72 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 30.58 1s3r s PRO 354 CO 0.36 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1s3r n GLY 355 N 3.94 0.41 0.19 0.52 0.00 -1.26 -5.01 105.19 103.97 1s3r n GLY 355 Ca 0.15 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1s3r n GLY 355 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s3r h GLU 356 N 0.00 0.00 0.00 1.61 3.07 -1.83 -0.20 114.58 117.22 1s3r h GLU 356 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1s3r h GLU 356 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1s3r h GLU 356 CO 0.00 0.31 0.00 0.00 -1.40 0.00 0.00 179.01 177.92 1s3r n ALA 357 N -2.20 2.24 0.01 3.43 0.00 -1.05 -2.09 120.51 120.86 1s3r n ALA 357 Ca 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1s3r n ALA 357 Cb 0.58 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1s3r n ALA 357 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s3r n SER 358 N -2.02 0.54 -3.79 0.00 7.64 -1.07 -4.99 113.62 109.93 1s3r n SER 358 Ca 0.06 0.23 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 1s3r n SER 358 Cb 0.39 0.71 0.04 0.00 -1.01 0.00 0.00 64.21 64.33 1s3r n SER 358 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s3r n LYS 359 N -2.71 0.78 -3.53 1.43 5.02 -0.11 -5.11 118.16 113.93 1s3r n LYS 359 Ca -0.11 -1.93 -0.05 0.00 -2.02 0.00 0.00 58.31 54.20 1s3r n LYS 359 Cb 0.80 -0.11 -0.07 0.00 -0.02 0.00 0.00 35.03 35.63 1s3r n LYS 359 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s3r s VAL 360 N -1.24 -0.77 0.24 -0.18 1.01 -1.25 -4.60 120.40 113.60 1s3r s VAL 360 Ca 0.36 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1s3r s VAL 360 Cb -0.03 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 1s3r s VAL 360 CO 0.23 0.01 1.07 -0.63 0.00 0.00 0.00 175.10 175.78 1s3r s ILE 361 N 2.70 3.71 0.07 2.22 1.01 -0.82 -4.89 121.20 125.20 1s3r s ILE 361 Ca 0.03 1.63 0.04 0.00 0.00 0.00 0.00 60.65 62.35 1s3r s ILE 361 Cb -0.13 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1s3r s ILE 361 CO -0.16 0.35 -0.12 0.28 0.00 0.00 0.00 174.94 175.29 1s3r s THR 362 N -0.83 0.94 -0.31 2.92 -1.32 -1.26 -1.31 115.64 114.47 1s3r s THR 362 Ca 0.46 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1s3r s THR 362 Cb -0.30 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 1s3r s THR 362 CO 0.37 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1s3r n GLY 363 N 1.27 -0.61 2.07 6.08 0.00 -0.63 -5.01 105.19 108.37 1s3r n GLY 363 Ca -0.21 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 1s3r n GLY 363 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s3r n ASN 364 N 0.00 1.25 0.01 1.61 2.04 -1.26 -1.53 115.26 117.38 1s3r n ASN 364 Ca 0.00 -2.34 0.21 0.00 -0.44 0.00 0.00 54.58 52.02 1s3r n ASN 364 Cb 0.00 0.60 0.72 0.00 -2.53 0.00 0.00 39.78 38.57 1s3r n ASN 364 CO 0.00 0.00 0.00 -0.29 -0.44 0.00 0.00 177.26 176.53 1s3r h ILE 365 N 1.40 0.60 0.19 1.53 6.09 -1.79 -0.30 117.51 125.22 1s3r h ILE 365 Ca -0.20 0.00 -0.30 0.00 -1.37 0.00 0.00 64.86 62.99 1s3r h ILE 365 Cb 0.75 0.70 0.02 0.00 0.47 0.00 0.00 36.82 38.76 1s3r h ILE 365 CO 0.32 0.00 -1.35 0.44 -3.07 0.00 0.00 178.15 174.48 1s3r h ASP 366 N 0.00 0.63 -0.97 2.19 3.32 -1.96 -2.84 116.42 116.80 1s3r h ASP 366 Ca 0.25 -0.67 0.10 0.00 0.02 0.00 0.00 57.03 56.72 1s3r h ASP 366 Cb 1.09 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 1s3r h ASP 366 CO -0.00 1.53 0.62 0.74 -1.72 0.00 0.00 179.24 180.40 1s3r h THR 367 N 0.11 0.98 0.23 0.35 2.02 -1.45 -2.18 112.91 112.97 1s3r h THR 367 Ca -0.19 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1s3r h THR 367 Cb 2.06 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1s3r h THR 367 CO 0.24 0.18 -0.11 0.25 0.37 0.00 0.00 175.52 176.45 1s3r h LEU 368 N 1.01 -0.26 -1.87 2.58 5.85 -1.44 -2.03 115.31 119.14 1s3r h LEU 368 Ca 0.45 -0.27 0.32 0.00 0.84 0.00 0.00 57.88 59.22 1s3r h LEU 368 Cb 0.37 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1s3r h LEU 368 CO -0.21 0.22 0.80 0.11 -0.34 0.00 0.00 178.44 179.02 1s3r h LYS 369 N -0.85 0.07 0.11 1.25 1.57 -1.38 0.31 116.57 117.66 1s3r h LYS 369 Ca -0.03 -0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.45 1s3r h LYS 369 Cb 0.51 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.83 1s3r h LYS 369 CO 0.05 0.05 -1.22 -0.44 -0.57 0.00 0.00 179.45 177.32 1s3r h ASP 370 N 0.08 0.77 0.21 0.86 3.32 -1.31 -2.05 116.42 118.30 1s3r h ASP 370 Ca 0.56 -0.72 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1s3r h ASP 370 Cb 2.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.36 1s3r h ASP 370 CO -0.07 1.53 -0.29 -0.07 -1.72 0.00 0.00 179.24 178.63 1s3r h LEU 371 N 0.24 0.13 -0.03 1.55 3.38 0.28 0.34 115.31 121.20 1s3r h LEU 371 Ca -0.17 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 1s3r h LEU 371 Cb 1.90 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.62 1s3r h LEU 371 CO 0.23 0.43 -0.51 0.40 0.09 0.00 0.00 178.44 179.07 1s3r h ILE 372 N 0.12 1.43 0.00 1.22 2.04 -1.06 -3.18 117.51 118.08 1s3r h ILE 372 Ca 0.02 -1.98 -0.05 0.00 1.00 0.00 0.00 64.86 63.85 1s3r h ILE 372 Cb 0.58 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 1s3r h ILE 372 CO 0.04 0.57 -0.22 -0.61 0.00 0.00 0.00 178.15 177.93 1s3r h GLN 373 N -0.12 0.00 -0.61 2.37 -0.00 -1.18 -2.09 115.11 113.49 1s3r h GLN 373 Ca -0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.51 1s3r h GLN 373 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.67 1s3r h GLN 373 CO 0.10 0.22 0.05 -0.22 0.00 0.00 0.00 178.83 178.98 1s3r h LYS 374 N 0.00 1.04 -0.66 1.69 3.11 -0.93 -2.96 116.57 117.86 1s3r h LYS 374 Ca -0.00 -0.30 -0.10 0.00 -2.81 0.00 0.00 60.65 57.43 1s3r h LYS 374 Cb 0.42 -0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.48 1s3r h LYS 374 CO 0.03 0.99 0.13 0.41 -2.81 0.00 0.00 179.45 178.20 1s3r n GLY 375 N -0.48 3.31 0.20 5.01 0.00 -1.01 -4.40 105.19 107.82 1s3r n GLY 375 Ca 0.03 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1s3r n GLY 375 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s3r h SER 376 N 3.41 0.00 -4.35 1.61 4.64 -1.21 -3.43 113.55 114.22 1s3r h SER 376 Ca 0.12 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.98 1s3r h SER 376 Cb 2.16 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 64.02 1s3r h SER 376 CO 0.61 0.13 -0.80 0.20 -0.87 0.00 0.00 176.83 176.11 1s3r s ASN 377 N -6.23 1.86 -0.15 4.97 0.01 -1.26 0.16 114.94 114.30 1s3r s ASN 377 Ca 0.06 -0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 51.37 1s3r s ASN 377 Cb 0.06 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1s3r s ASN 377 CO 0.68 0.02 1.62 0.12 -1.51 0.00 0.00 177.10 178.03 1s3r s PHE 378 N -1.01 2.08 0.31 2.20 5.36 0.12 -4.89 117.98 122.16 1s3r s PHE 378 Ca 0.02 0.43 0.24 0.00 -0.96 0.00 0.00 56.93 56.65 1s3r s PHE 378 Cb -0.09 -3.92 1.14 0.00 -0.34 0.00 0.00 43.02 39.81 1s3r s PHE 378 CO 0.02 -3.27 1.94 0.66 -1.46 0.00 0.00 175.22 173.12 1s3r h SER 379 N 10.17 0.00 -2.21 6.13 4.64 -1.92 -3.44 113.55 126.92 1s3r h SER 379 Ca -0.36 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.64 1s3r h SER 379 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1s3r h SER 379 CO 0.98 0.21 -0.41 0.00 -0.87 0.00 0.00 176.83 176.73 1s3r n ALA 380 N -2.29 -0.46 0.69 5.18 0.00 -1.26 -4.89 120.51 117.47 1s3r n ALA 380 Ca -0.01 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1s3r n ALA 380 Cb 0.34 -1.82 0.24 0.00 0.00 0.00 0.00 19.45 18.20 1s3r n ALA 380 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1s3r n GLN 381 N -2.57 0.21 0.00 0.00 1.13 -1.26 -4.96 117.38 109.93 1s3r n GLN 381 Ca -0.19 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1s3r n GLN 381 Cb 0.64 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1s3r n GLN 381 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1s3r n SER 382 N -1.96 0.00 -4.56 1.08 3.41 -1.26 -5.14 113.62 105.20 1s3r n SER 382 Ca 0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.27 1s3r n SER 382 Cb 0.41 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1s3r n SER 382 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1s3r n PRO 383 N -0.13 0.77 -2.63 4.33 -0.02 -1.26 -4.96 135.00 131.09 1s3r n PRO 383 Ca 0.00 0.30 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 1s3r n PRO 383 Cb 0.00 -1.98 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1s3r n PRO 383 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s3r s ALA 384 N -1.57 3.87 0.04 3.55 0.00 -1.26 -4.99 121.76 121.39 1s3r s ALA 384 Ca 0.72 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1s3r s ALA 384 Cb -0.44 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1s3r s ALA 384 CO 0.50 -0.95 0.09 0.08 0.00 0.00 0.00 175.76 175.48 1s3r s VAL 385 N -2.87 4.68 -0.08 0.00 1.01 -1.25 -4.76 120.40 117.13 1s3r s VAL 385 Ca 0.60 -0.57 -0.36 0.00 0.00 0.00 0.00 61.98 61.65 1s3r s VAL 385 Cb -0.09 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 1s3r s VAL 385 CO 0.40 0.23 1.75 -2.65 0.00 0.00 0.00 175.10 174.83 1s3r n PRO 386 N 0.78 1.81 0.00 2.72 -0.02 -1.26 -0.11 135.00 138.92 1s3r n PRO 386 Ca -0.10 0.66 0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1s3r n PRO 386 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1s3r n PRO 386 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1s3r n ILE 387 N 4.47 0.00 -3.62 4.25 -5.35 0.12 -4.77 119.36 114.47 1s3r n ILE 387 Ca 0.22 -0.45 -0.07 0.00 -0.27 0.00 0.00 62.75 62.18 1s3r n ILE 387 Cb 0.24 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.10 1s3r n ILE 387 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1s3r s SER 388 N -0.96 -0.28 0.32 7.28 1.04 -1.09 -2.08 113.70 117.92 1s3r s SER 388 Ca 0.02 0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1s3r s SER 388 Cb 0.02 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1s3r s SER 388 CO 0.09 -0.16 0.12 -0.72 0.98 0.00 0.00 173.24 173.55 1s3r s TYR 389 N -0.38 1.69 -0.05 5.02 -0.85 0.13 0.08 117.35 122.98 1s3r s TYR 389 Ca 0.03 -1.23 -0.02 0.00 -0.52 0.00 0.00 57.07 55.34 1s3r s TYR 389 Cb -0.03 -1.01 0.04 0.00 0.38 0.00 0.00 41.96 41.33 1s3r s TYR 389 CO -0.06 -0.33 0.12 0.99 -1.52 0.00 0.00 175.55 174.75 1s3r s THR 390 N -3.50 -0.05 0.24 -3.49 2.01 -0.30 -0.67 115.64 109.87 1s3r s THR 390 Ca 0.34 0.19 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1s3r s THR 390 Cb 0.06 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1s3r s THR 390 CO 0.16 0.08 0.25 0.42 -0.69 0.00 0.00 174.62 174.83 1s3r s THR 391 N 1.15 4.72 -0.04 -0.82 -4.23 -1.26 -0.19 115.64 114.97 1s3r s THR 391 Ca -0.09 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1s3r s THR 391 Cb -0.12 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.20 1s3r s THR 391 CO -0.05 -0.33 0.02 -0.44 -0.54 0.00 0.00 174.62 173.28 1s3r s SER 392 N -3.85 0.78 0.15 3.99 0.01 -0.58 0.10 113.70 114.30 1s3r s SER 392 Ca 0.33 -0.00 -0.34 0.00 1.31 0.00 0.00 55.95 57.25 1s3r s SER 392 Cb -0.08 -0.22 -0.16 0.00 0.21 0.00 0.00 66.02 65.76 1s3r s SER 392 CO 0.26 -0.16 1.12 0.49 0.41 0.00 0.00 173.24 175.37 1s3r n PHE 393 N 4.62 1.12 -0.23 2.43 3.01 -0.98 -1.30 117.46 126.14 1s3r n PHE 393 Ca -0.17 0.74 -0.01 0.00 1.01 0.00 0.00 57.45 59.02 1s3r n PHE 393 Cb 0.50 -2.24 0.21 0.00 -0.01 0.00 0.00 39.48 37.94 1s3r n PHE 393 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1s3r h VAL 394 N 2.64 1.21 0.17 -4.37 2.07 -1.59 -0.49 116.25 115.88 1s3r h VAL 394 Ca -0.43 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1s3r h VAL 394 Cb 1.36 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1s3r h VAL 394 CO 0.69 0.22 -0.19 0.50 0.02 0.00 0.00 177.57 178.81 1s3r h LYS 395 N 1.03 -0.38 0.00 1.57 3.64 -1.89 -3.36 116.57 117.19 1s3r h LYS 395 Ca 0.27 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1s3r h LYS 395 Cb -0.03 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1s3r h LYS 395 CO -0.05 -0.26 0.00 -0.40 -2.27 0.00 0.00 179.45 176.47 1s3r n ASP 396 N -5.32 0.71 -1.20 4.20 5.75 -1.21 -4.82 116.55 114.65 1s3r n ASP 396 Ca -0.08 -0.93 -0.16 0.00 -0.01 0.00 0.00 54.79 53.62 1s3r n ASP 396 Cb 0.23 0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 1s3r n ASP 396 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1s3r n ASN 397 N -0.09 -4.92 -4.74 -1.12 3.02 -0.20 -5.01 115.26 102.20 1s3r n ASN 397 Ca 0.00 0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 54.53 1s3r n ASN 397 Cb 0.04 -3.81 -0.04 0.00 -0.61 0.00 0.00 39.78 35.36 1s3r n ASN 397 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1s3r s SER 398 N -2.82 7.42 0.26 6.41 1.04 -1.26 -4.83 113.70 119.91 1s3r s SER 398 Ca 0.00 1.95 -0.30 0.00 0.48 0.00 0.00 55.95 58.08 1s3r s SER 398 Cb 0.00 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.38 1s3r s SER 398 CO 0.00 -0.10 1.22 -0.38 0.98 0.00 0.00 173.24 174.96 1s3r n ILE 399 N 2.39 1.46 -3.45 -1.02 -0.00 -1.26 -2.32 119.36 115.16 1s3r n ILE 399 Ca 0.02 -0.36 -0.35 0.00 -0.00 0.00 0.00 62.75 62.05 1s3r n ILE 399 Cb 0.47 -1.23 -0.06 0.00 -0.00 0.00 0.00 39.64 38.83 1s3r n ILE 399 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1s3r s ALA 400 N -0.59 3.64 0.01 -1.39 0.00 0.29 -4.85 121.76 118.88 1s3r s ALA 400 Ca 0.64 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.44 1s3r s ALA 400 Cb -0.69 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1s3r s ALA 400 CO 0.56 0.50 -0.24 0.99 0.00 0.00 0.00 175.76 177.57 1s3r s THR 401 N -1.44 1.90 -0.15 0.00 2.01 -1.26 -4.41 115.64 112.29 1s3r s THR 401 Ca 0.36 -1.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1s3r s THR 401 Cb -0.14 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1s3r s THR 401 CO 0.19 0.43 0.05 -0.63 -0.69 0.00 0.00 174.62 173.97 1s3r s ILE 402 N -0.66 4.68 -0.15 1.82 -1.09 0.11 -4.64 121.20 121.27 1s3r s ILE 402 Ca 0.09 -0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1s3r s ILE 402 Cb -0.09 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.70 1s3r s ILE 402 CO 0.00 0.51 -0.08 -1.58 -1.23 0.00 0.00 174.94 172.57 1s3r s GLN 403 N -0.07 3.51 -0.17 2.79 2.00 -0.26 -0.99 119.66 126.47 1s3r s GLN 403 Ca 0.06 -0.61 -0.01 0.00 -2.00 0.00 0.00 55.36 52.81 1s3r s GLN 403 Cb -0.12 -2.80 -0.00 0.00 0.80 0.00 0.00 33.01 30.88 1s3r s GLN 403 CO 0.01 0.18 -0.13 -0.80 -0.50 0.00 0.00 175.29 174.05 1s3r s ASN 404 N 0.49 3.83 -0.04 6.67 0.01 -0.74 -0.20 114.94 124.97 1s3r s ASN 404 Ca -0.06 -0.44 0.06 0.00 -0.71 0.00 0.00 52.86 51.71 1s3r s ASN 404 Cb -0.15 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 1s3r s ASN 404 CO 0.03 0.07 -0.22 0.20 -1.51 0.00 0.00 177.10 175.67 1s3r s ASN 405 N 0.93 2.69 0.02 -1.22 0.01 -0.74 -1.70 114.94 114.92 1s3r s ASN 405 Ca -0.03 -0.43 -0.25 0.00 -0.71 0.00 0.00 52.86 51.44 1s3r s ASN 405 Cb -0.15 -0.55 0.06 0.00 0.41 0.00 0.00 41.25 41.02 1s3r s ASN 405 CO -0.01 0.24 0.57 0.28 -1.51 0.00 0.00 177.10 176.67 1s3r s THR 406 N -0.28 0.02 0.33 1.60 -1.32 -0.96 -0.03 115.64 115.01 1s3r s THR 406 Ca 0.02 -0.15 -0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1s3r s THR 406 Cb -0.11 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 69.88 1s3r s THR 406 CO 0.01 -0.08 0.56 -1.81 -2.21 0.00 0.00 174.62 171.09 1s3r s ASP 407 N -1.71 6.33 0.30 8.08 1.11 -0.89 -1.60 116.67 128.29 1s3r s ASP 407 Ca -0.07 0.55 -0.20 0.00 0.18 0.00 0.00 52.55 53.01 1s3r s ASP 407 Cb -0.01 -2.08 0.03 0.00 1.07 0.00 0.00 42.92 41.93 1s3r s ASP 407 CO 0.02 -0.28 0.73 -0.72 1.18 0.00 0.00 175.17 176.10 1s3r s TYR 408 N -2.26 -0.13 -0.34 4.23 -0.85 -0.15 -4.78 117.35 113.07 1s3r s TYR 408 Ca 0.41 -0.36 -0.07 0.00 -0.52 0.00 0.00 57.07 56.53 1s3r s TYR 408 Cb -0.10 0.73 0.03 0.00 0.38 0.00 0.00 41.96 43.00 1s3r s TYR 408 CO 0.35 -1.29 0.11 0.42 -1.52 0.00 0.00 175.55 173.61 1s3r s ILE 409 N -3.65 3.87 0.02 -3.49 -1.09 -1.26 -1.32 121.20 114.28 1s3r s ILE 409 Ca 0.12 -1.06 -0.24 0.00 -2.23 0.00 0.00 60.65 57.24 1s3r s ILE 409 Cb -0.06 -3.17 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 1s3r s ILE 409 CO 0.08 -0.15 0.73 -0.70 -1.23 0.00 0.00 174.94 173.66 1s3r s GLU 410 N 1.43 4.46 -0.34 2.79 2.12 -0.47 -4.74 118.70 123.94 1s3r s GLU 410 Ca -0.01 0.99 -0.02 0.00 0.36 0.00 0.00 54.97 56.28 1s3r s GLU 410 Cb -0.19 -3.37 0.07 0.00 0.26 0.00 0.00 34.13 30.90 1s3r s GLU 410 CO 0.03 0.27 0.08 0.99 -0.54 0.00 0.00 175.26 176.08 1s3r s THR 411 N 0.04 3.13 -0.36 -1.70 2.01 -1.26 -2.48 115.64 115.02 1s3r s THR 411 Ca 0.37 -1.61 -0.10 0.00 0.31 0.00 0.00 61.69 60.66 1s3r s THR 411 Cb -0.20 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1s3r s THR 411 CO 0.21 -0.32 0.18 -0.54 -0.69 0.00 0.00 174.62 173.46 1s3r s LYS 412 N 1.22 2.86 -0.26 4.92 3.01 -0.90 -4.97 119.74 125.61 1s3r s LYS 412 Ca 0.00 -1.05 -0.13 0.00 -1.01 0.00 0.00 55.97 53.78 1s3r s LYS 412 Cb -0.21 -3.66 -0.04 0.00 -1.01 0.00 0.00 37.83 32.91 1s3r s LYS 412 CO -0.02 -0.65 0.29 0.08 0.51 0.00 0.00 175.35 175.55 1s3r s VAL 413 N 1.53 5.25 0.13 3.17 1.01 -1.26 -2.04 120.40 128.19 1s3r s VAL 413 Ca 0.02 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1s3r s VAL 413 Cb -0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1s3r s VAL 413 CO 0.06 0.22 -0.10 -0.89 0.00 0.00 0.00 175.10 174.39 1s3r s THR 414 N 1.78 3.30 -0.20 3.92 2.01 -1.13 -4.81 115.64 120.50 1s3r s THR 414 Ca 0.12 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1s3r s THR 414 Cb -0.16 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.83 1s3r s THR 414 CO 0.09 0.04 -0.07 -0.55 -0.69 0.00 0.00 174.62 173.45 1s3r s SER 415 N -2.40 3.32 -0.15 3.53 0.15 -1.26 -1.73 113.70 115.17 1s3r s SER 415 Ca 0.22 -0.89 -0.16 0.00 0.70 0.00 0.00 55.95 55.82 1s3r s SER 415 Cb -0.10 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 1s3r s SER 415 CO 0.14 -0.19 0.38 -0.31 1.20 0.00 0.00 173.24 174.47 1s3r s TYR 416 N 1.48 3.47 0.16 3.44 1.51 -1.01 -4.95 117.35 121.46 1s3r s TYR 416 Ca -0.02 0.72 0.07 0.00 -1.01 0.00 0.00 57.07 56.84 1s3r s TYR 416 Cb -0.17 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1s3r s TYR 416 CO -0.08 0.18 -0.04 0.15 -1.11 0.00 0.00 175.55 174.66 1s3r s LYS 417 N 0.61 2.29 0.75 -0.62 1.02 -1.26 -1.17 119.74 121.36 1s3r s LYS 417 Ca 0.21 -1.12 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 1s3r s LYS 417 Cb -0.14 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1s3r s LYS 417 CO 0.07 0.46 0.47 -0.25 -0.92 0.00 0.00 175.35 175.18 1s3r n ASP 418 N 0.08 -1.46 -3.51 2.83 10.43 -1.20 -4.40 116.55 119.31 1s3r n ASP 418 Ca -0.11 0.55 -0.09 0.00 2.57 0.00 0.00 54.79 57.72 1s3r n ASP 418 Cb 0.55 -1.20 -0.02 0.00 1.84 0.00 0.00 41.12 42.28 1s3r n ASP 418 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1s3r s GLY 419 N -1.51 -0.44 0.24 0.44 0.00 -0.67 -4.24 107.32 101.13 1s3r s GLY 419 Ca 0.64 1.15 0.11 0.00 0.00 0.00 0.00 44.72 46.62 1s3r s GLY 419 CO 0.60 0.43 -0.20 0.00 0.00 0.00 0.00 173.10 173.93 1s3r s ALA 420 N -2.83 2.70 -0.13 3.20 0.00 -0.37 -1.37 121.76 122.96 1s3r s ALA 420 Ca 0.04 -1.75 -0.00 0.00 0.00 0.00 0.00 51.96 50.24 1s3r s ALA 420 Cb -0.01 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1s3r s ALA 420 CO -0.07 0.35 -0.10 -1.17 0.00 0.00 0.00 175.76 174.77 1s3r s LEU 421 N -3.15 1.37 -0.18 0.00 2.96 -0.21 -1.56 118.68 117.91 1s3r s LEU 421 Ca 0.26 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1s3r s LEU 421 Cb -0.06 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.64 1s3r s LEU 421 CO 0.13 -0.10 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.15 1s3r s THR 422 N 1.63 3.81 -0.22 3.68 2.01 0.15 -1.42 115.64 125.28 1s3r s THR 422 Ca 0.05 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.58 1s3r s THR 422 Cb -0.13 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1s3r s THR 422 CO -0.09 0.46 0.13 -0.76 -0.69 0.00 0.00 174.62 173.67 1s3r s LEU 423 N 0.78 4.07 -0.06 4.42 1.43 -0.51 -1.53 118.68 127.29 1s3r s LEU 423 Ca -0.01 0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1s3r s LEU 423 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 1s3r s LEU 423 CO 0.02 0.11 -0.25 0.20 0.23 0.00 0.00 176.35 176.66 1s3r s ASN 424 N 0.75 3.07 -0.10 2.29 0.01 -0.95 -2.09 114.94 117.93 1s3r s ASN 424 Ca 0.07 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1s3r s ASN 424 Cb -0.13 -0.83 0.02 0.00 0.41 0.00 0.00 41.25 40.72 1s3r s ASN 424 CO 0.02 0.25 -0.11 -2.28 -1.51 0.00 0.00 177.10 173.46 1s3r s HIS 425 N -0.17 1.60 -0.02 2.20 5.65 -0.73 -0.74 115.29 123.08 1s3r s HIS 425 Ca -0.03 -0.73 0.08 0.00 0.25 0.00 0.00 55.06 54.62 1s3r s HIS 425 Cb -0.14 -1.23 0.14 0.00 -1.18 0.00 0.00 32.58 30.17 1s3r s HIS 425 CO 0.04 -0.44 1.06 -0.25 -0.65 0.00 0.00 174.74 174.50 1s3r n ASP 426 N 4.41 0.49 -4.89 9.88 8.00 -0.28 -3.46 116.55 130.69 1s3r n ASP 426 Ca -0.18 -2.15 -0.33 0.00 0.71 0.00 0.00 54.79 52.84 1s3r n ASP 426 Cb 0.51 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 1s3r n ASP 426 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1s3r s GLY 427 N -1.46 2.24 0.00 0.44 0.00 -1.26 -4.48 107.32 102.80 1s3r s GLY 427 Ca 0.12 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.25 1s3r s GLY 427 CO -0.04 -0.49 0.48 0.00 0.00 0.00 0.00 173.10 173.05 1s3r n ALA 428 N 0.66 1.80 -2.47 3.20 0.00 -0.87 -4.59 120.51 118.24 1s3r n ALA 428 Ca -0.07 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 1s3r n ALA 428 Cb 0.52 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 1s3r n ALA 428 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1s3r s PHE 429 N -2.00 2.65 -0.56 0.00 -0.12 -1.26 -4.79 117.98 111.90 1s3r s PHE 429 Ca 0.04 -0.47 -0.24 0.00 -0.05 0.00 0.00 56.93 56.21 1s3r s PHE 429 Cb 0.02 -1.76 0.04 0.00 -0.63 0.00 0.00 43.02 40.69 1s3r s PHE 429 CO 0.03 0.28 0.95 0.08 -0.05 0.00 0.00 175.22 176.51 1s3r s VAL 430 N -2.50 4.37 0.86 -2.49 1.01 -1.26 -4.80 120.40 115.59 1s3r s VAL 430 Ca 0.39 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 1s3r s VAL 430 Cb -0.00 -4.55 0.13 0.00 0.00 0.00 0.00 36.38 31.96 1s3r s VAL 430 CO 0.22 -1.14 1.22 0.00 0.00 0.00 0.00 175.10 175.41 1s3r s ALA 431 N 4.00 2.54 -0.30 5.51 0.00 -1.02 -2.17 121.76 130.31 1s3r s ALA 431 Ca 0.31 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1s3r s ALA 431 Cb -0.12 -2.83 0.19 0.00 0.00 0.00 0.00 23.12 20.36 1s3r s ALA 431 CO 0.19 -1.97 0.70 1.03 0.00 0.00 0.00 175.76 175.71 1s3r s ARG 432 N -5.67 0.48 -0.00 0.00 0.52 -0.43 -1.39 118.95 112.46 1s3r s ARG 432 Ca 0.67 0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 56.60 1s3r s ARG 432 Cb -0.08 0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 1s3r s ARG 432 CO 0.50 -0.61 0.22 -0.06 0.02 0.00 0.00 175.30 175.38 1s3r s PHE 433 N 2.88 3.56 -0.04 -0.53 0.40 -1.26 -1.44 117.98 121.54 1s3r s PHE 433 Ca 0.15 0.47 0.03 0.00 -0.60 0.00 0.00 56.93 56.98 1s3r s PHE 433 Cb -0.13 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.49 1s3r s PHE 433 CO -0.20 0.63 -0.13 0.71 0.70 0.00 0.00 175.22 176.93 1s3r s TYR 434 N -1.31 1.33 -0.01 0.36 1.51 0.14 -1.82 117.35 117.56 1s3r s TYR 434 Ca 0.27 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1s3r s TYR 434 Cb -0.13 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1s3r s TYR 434 CO 0.17 -0.16 -0.03 0.08 -1.11 0.00 0.00 175.55 174.50 1s3r s VAL 435 N 0.24 0.26 0.25 0.71 1.01 -1.26 -1.57 120.40 120.04 1s3r s VAL 435 Ca -0.06 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1s3r s VAL 435 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1s3r s VAL 435 CO 0.02 0.10 0.12 -0.31 0.00 0.00 0.00 175.10 175.03 1s3r s TYR 436 N 0.19 1.41 0.01 5.22 1.51 0.33 -1.47 117.35 124.55 1s3r s TYR 436 Ca -0.02 -1.30 -0.28 0.00 -1.01 0.00 0.00 57.07 54.47 1s3r s TYR 436 Cb -0.04 -0.76 0.10 0.00 -0.11 0.00 0.00 41.96 41.14 1s3r s TYR 436 CO -0.00 -0.49 1.25 1.67 -1.11 0.00 0.00 175.55 176.86 1s3r s TRP 437 N -3.88 0.02 0.07 2.71 -2.14 -0.23 -0.92 118.94 114.58 1s3r s TRP 437 Ca 0.38 -0.18 0.07 0.00 2.66 0.00 0.00 56.10 59.04 1s3r s TRP 437 Cb 0.07 0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 30.99 1s3r s TRP 437 CO 0.14 -0.36 -0.20 -1.21 -2.66 0.00 0.00 176.95 172.66 1s3r s GLU 438 N -2.09 1.20 -0.15 3.25 2.02 0.76 -0.67 118.70 123.02 1s3r s GLU 438 Ca 0.27 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1s3r s GLU 438 Cb -0.00 -1.37 0.03 0.00 0.10 0.00 0.00 34.13 32.89 1s3r s GLU 438 CO -0.00 0.33 -0.12 -2.00 0.02 0.00 0.00 175.26 173.49 1s3r s GLU 439 N -1.54 2.08 0.10 1.61 2.12 0.08 -1.45 118.70 121.71 1s3r s GLU 439 Ca 0.06 -0.55 -0.26 0.00 0.36 0.00 0.00 54.97 54.58 1s3r s GLU 439 Cb -0.09 -2.06 -0.06 0.00 0.26 0.00 0.00 34.13 32.17 1s3r s GLU 439 CO 0.03 -0.28 0.82 -0.51 -0.54 0.00 0.00 175.26 174.77 1s3r s LEU 440 N 1.52 4.51 0.00 2.70 2.01 -0.37 -1.22 118.68 127.83 1s3r s LEU 440 Ca 0.04 1.59 0.00 0.00 0.01 0.00 0.00 54.13 55.77 1s3r s LEU 440 Cb -0.13 -3.34 0.00 0.00 0.01 0.00 0.00 46.19 42.73 1s3r s LEU 440 CO -0.10 0.05 0.00 0.61 1.01 0.00 0.00 176.35 177.93 1s3r n GLY 441 N 2.12 4.11 3.02 -3.19 0.00 -0.86 -4.89 105.19 105.50 1s3r n GLY 441 Ca -0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 1s3r n GLY 441 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s3r s HIS 442 N -0.84 0.46 0.27 1.61 0.09 -1.26 -0.98 115.29 114.64 1s3r s HIS 442 Ca 0.00 -0.49 -0.04 0.00 -0.00 0.00 0.00 55.06 54.54 1s3r s HIS 442 Cb 0.00 -0.29 0.06 0.00 -0.00 0.00 0.00 32.58 32.35 1s3r s HIS 442 CO 0.00 -0.13 0.37 -0.40 -0.00 0.00 0.00 174.74 174.58 1s3r n ASP 443 N 1.62 0.13 -0.15 1.40 5.68 -0.32 -4.83 116.55 120.07 1s3r n ASP 443 Ca -0.23 -1.20 -0.12 0.00 -0.50 0.00 0.00 54.79 52.75 1s3r n ASP 443 Cb 0.55 -0.27 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 1s3r n ASP 443 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s3r h ALA 444 N -1.54 0.64 0.00 2.12 0.00 -2.02 -2.65 119.26 115.80 1s3r h ALA 444 Ca -0.12 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1s3r h ALA 444 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s3r h ALA 444 CO 0.10 0.64 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 1s3r n ASP 445 N -4.14 0.44 0.00 0.00 9.92 -1.26 -4.89 116.55 116.62 1s3r n ASP 445 Ca -0.01 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.88 1s3r n ASP 445 Cb 0.46 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 1s3r n ASP 445 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s3r n GLY 446 N -0.34 0.40 3.81 0.44 0.00 -1.00 -5.09 105.19 103.40 1s3r n GLY 446 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1s3r n GLY 446 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3r s TYR 447 N -2.00 3.31 0.15 1.61 1.51 -1.26 -4.70 117.35 115.97 1s3r s TYR 447 Ca 0.00 1.63 -0.30 0.00 -1.01 0.00 0.00 57.07 57.39 1s3r s TYR 447 Cb 0.00 -2.92 -0.07 0.00 -0.11 0.00 0.00 41.96 38.85 1s3r s TYR 447 CO 0.00 -0.23 1.20 -1.21 -1.11 0.00 0.00 175.55 174.20 1s3r s GLU 448 N -2.97 4.48 0.32 -0.62 2.02 -1.26 -1.18 118.70 119.49 1s3r s GLU 448 Ca 0.61 1.85 0.08 0.00 0.02 0.00 0.00 54.97 57.53 1s3r s GLU 448 Cb -0.13 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1s3r s GLU 448 CO 0.17 -0.13 0.12 0.95 0.02 0.00 0.00 175.26 176.38 1s3r s THR 449 N 0.25 3.21 -0.11 3.63 -4.23 -0.15 -4.90 115.64 113.35 1s3r s THR 449 Ca 0.55 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1s3r s THR 449 Cb -0.32 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1s3r s THR 449 CO 0.34 -0.23 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.47 1s3r s ILE 450 N -2.38 1.10 -0.13 2.99 1.01 -1.26 -2.03 121.20 120.49 1s3r s ILE 450 Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1s3r s ILE 450 Cb -0.04 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 1s3r s ILE 450 CO 0.22 0.37 -0.15 -0.60 0.00 0.00 0.00 174.94 174.79 1s3r s ARG 451 N 1.48 3.30 0.02 2.79 3.52 -0.36 -4.93 118.95 124.78 1s3r s ARG 451 Ca 0.01 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.58 1s3r s ARG 451 Cb -0.13 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 1s3r s ARG 451 CO -0.06 0.16 1.03 -1.12 -0.81 0.00 0.00 175.30 174.50 1s3r s SER 452 N 0.47 7.30 0.09 -2.12 0.01 -1.26 -0.74 113.70 117.45 1s3r s SER 452 Ca -0.11 1.75 0.05 0.00 1.31 0.00 0.00 55.95 58.95 1s3r s SER 452 Cb -0.16 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 1s3r s SER 452 CO 0.05 -0.31 -0.13 -0.13 0.41 0.00 0.00 173.24 173.13 1s3r s ARG 453 N 1.01 0.86 0.16 12.44 0.52 0.16 -4.97 118.95 129.13 1s3r s ARG 453 Ca 0.54 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 54.75 1s3r s ARG 453 Cb -0.23 -0.74 -0.04 0.00 0.52 0.00 0.00 34.95 34.46 1s3r s ARG 453 CO 0.28 0.15 -0.15 -1.54 0.02 0.00 0.00 175.30 174.05 1s3r s SER 454 N -2.10 2.38 0.31 0.23 1.04 -1.26 -1.06 113.70 113.24 1s3r s SER 454 Ca 0.02 -0.89 -0.29 0.00 0.48 0.00 0.00 55.95 55.27 1s3r s SER 454 Cb -0.07 -0.11 -0.10 0.00 0.10 0.00 0.00 66.02 65.84 1s3r s SER 454 CO 0.02 -0.12 1.24 0.86 0.98 0.00 0.00 173.24 176.22 1s3r s TRP 455 N -2.38 3.22 0.54 5.02 -0.00 -0.54 -4.96 118.94 119.84 1s3r s TRP 455 Ca 0.15 1.50 0.20 0.00 -0.00 0.00 0.00 56.10 57.95 1s3r s TRP 455 Cb -0.04 -3.55 1.41 0.00 -0.00 0.00 0.00 33.47 31.30 1s3r s TRP 455 CO 0.05 -1.43 2.18 0.66 -0.00 0.00 0.00 176.95 178.40 1s3r h SER 456 N 3.56 0.00 -0.27 5.86 4.64 -2.01 -2.63 113.55 122.71 1s3r h SER 456 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1s3r h SER 456 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1s3r h SER 456 CO 0.66 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1s3r n GLY 457 N -1.48 1.08 3.69 -0.77 0.00 -1.26 -4.97 105.19 101.47 1s3r n GLY 457 Ca -0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1s3r n GLY 457 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s3r s ASN 458 N -0.71 6.45 -0.30 1.61 0.01 -0.99 -3.44 114.94 117.57 1s3r s ASN 458 Ca 0.20 2.71 0.00 0.00 -0.71 0.00 0.00 52.86 55.07 1s3r s ASN 458 Cb 0.13 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1s3r s ASN 458 CO 0.10 -1.00 0.00 0.61 -1.51 0.00 0.00 177.10 175.31 1s3r n GLY 459 N 4.24 0.60 3.84 0.66 0.00 -0.75 -5.01 105.19 108.77 1s3r n GLY 459 Ca 0.18 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1s3r n GLY 459 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3r s TYR 460 N -2.07 3.68 0.38 1.61 1.51 -1.22 -5.00 117.35 116.24 1s3r s TYR 460 Ca 0.00 0.85 -0.28 0.00 -1.01 0.00 0.00 57.07 56.63 1s3r s TYR 460 Cb 0.00 -2.20 -0.11 0.00 -0.11 0.00 0.00 41.96 39.54 1s3r s TYR 460 CO 0.00 0.65 1.48 -0.80 -1.11 0.00 0.00 175.55 175.77 1s3r s ASN 461 N -0.99 6.31 -0.08 2.29 0.01 -1.26 -4.45 114.94 116.77 1s3r s ASN 461 Ca 0.21 3.04 0.03 0.00 -0.71 0.00 0.00 52.86 55.43 1s3r s ASN 461 Cb -0.15 -2.67 0.01 0.00 0.41 0.00 0.00 41.25 38.85 1s3r s ASN 461 CO 0.10 -0.89 -0.18 -0.13 -1.51 0.00 0.00 177.10 174.49 1s3r s ARG 462 N -2.12 2.39 0.27 -0.60 1.81 -0.49 -4.98 118.95 115.23 1s3r s ARG 462 Ca 0.53 -0.65 0.02 0.00 -1.72 0.00 0.00 55.73 53.91 1s3r s ARG 462 Cb -0.46 -1.86 0.05 0.00 -0.45 0.00 0.00 34.95 32.23 1s3r s ARG 462 CO 0.63 0.10 0.38 0.41 -0.68 0.00 0.00 175.30 176.13 1s3r n GLY 463 N 3.68 1.26 0.32 -3.53 0.00 -1.26 -2.45 105.19 103.21 1s3r n GLY 463 Ca -0.21 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.74 1s3r n GLY 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3r h ALA 464 N -0.14 1.36 -0.47 4.61 0.00 -1.83 -3.03 119.26 119.76 1s3r h ALA 464 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s3r h ALA 464 Cb 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s3r h ALA 464 CO 0.15 0.51 0.00 0.72 0.00 0.00 0.00 179.25 180.63 1s3r n HIS 465 N -4.35 0.85 -1.66 0.00 8.25 -1.26 -3.60 115.22 113.45 1s3r n HIS 465 Ca 0.06 -0.58 -0.43 0.00 -0.26 0.00 0.00 57.72 56.50 1s3r n HIS 465 Cb 0.12 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 1s3r n HIS 465 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1s3r n TYR 466 N 0.69 1.91 -3.57 4.41 9.36 -1.15 -4.88 117.16 123.93 1s3r n TYR 466 Ca 0.18 0.60 -0.16 0.00 3.32 0.00 0.00 57.90 61.84 1s3r n TYR 466 Cb 0.63 -2.36 -0.07 0.00 -0.63 0.00 0.00 39.34 36.92 1s3r n TYR 466 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1s3r s SER 467 N -0.34 -0.67 -0.04 2.98 0.15 -1.26 -1.78 113.70 112.74 1s3r s SER 467 Ca 0.58 0.94 -0.29 0.00 0.70 0.00 0.00 55.95 57.88 1s3r s SER 467 Cb -0.62 0.85 0.10 0.00 -1.71 0.00 0.00 66.02 64.64 1s3r s SER 467 CO 0.60 -0.47 0.87 0.28 1.20 0.00 0.00 173.24 175.72 1s3r s THR 468 N -0.64 0.00 -0.09 6.45 -1.32 -0.89 -4.99 115.64 114.17 1s3r s THR 468 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1s3r s THR 468 Cb -0.02 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1s3r s THR 468 CO 0.07 0.00 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.51 1s3r s THR 469 N -2.38 0.92 -0.14 5.08 2.01 -1.26 -1.42 115.64 118.46 1s3r s THR 469 Ca 0.01 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1s3r s THR 469 Cb -0.01 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.53 1s3r s THR 469 CO -0.04 0.33 0.33 -0.76 -0.69 0.00 0.00 174.62 173.79 1s3r s LEU 470 N 1.34 4.28 -0.03 4.42 1.43 -0.50 -4.96 118.68 124.66 1s3r s LEU 470 Ca -0.03 0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1s3r s LEU 470 Cb -0.14 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1s3r s LEU 470 CO -0.03 0.12 0.03 -0.13 0.23 0.00 0.00 176.35 176.57 1s3r s ARG 471 N 0.28 2.95 0.01 1.70 0.52 -1.26 -1.04 118.95 122.10 1s3r s ARG 471 Ca 0.19 -0.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 1s3r s ARG 471 Cb -0.14 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.54 1s3r s ARG 471 CO 0.06 0.66 -0.07 -0.06 0.02 0.00 0.00 175.30 175.91 1s3r s PHE 472 N -1.06 0.58 0.54 -0.53 2.99 -0.47 -5.01 117.98 115.02 1s3r s PHE 472 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 56.93 56.99 1s3r s PHE 472 Cb -0.12 -0.36 0.06 0.00 0.00 0.00 0.00 43.02 42.60 1s3r s PHE 472 CO 0.09 -0.02 0.74 0.15 -0.00 0.00 0.00 175.22 176.18 1s3r s LYS 473 N -0.46 2.43 0.63 0.44 1.02 -1.26 -1.68 119.74 120.86 1s3r s LYS 473 Ca -0.00 -1.32 0.40 0.00 0.02 0.00 0.00 55.97 55.07 1s3r s LYS 473 Cb -0.04 -2.62 2.11 0.00 -0.52 0.00 0.00 37.83 36.76 1s3r s LYS 473 CO -0.00 -0.72 2.27 0.78 -0.92 0.00 0.00 175.35 176.76 1s3r h GLY 474 N 0.23 0.00 -1.31 -3.33 0.00 -1.77 -2.82 103.07 94.08 1s3r h GLY 474 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1s3r h GLY 474 CO 0.44 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.14 1s3r n ASN 475 N -3.19 1.57 -4.83 0.19 6.94 -1.26 -4.72 115.26 109.96 1s3r n ASN 475 Ca -0.02 -2.10 -0.30 0.00 -0.02 0.00 0.00 54.58 52.14 1s3r n ASN 475 Cb 0.13 -0.52 -0.06 0.00 -2.36 0.00 0.00 39.78 36.97 1s3r n ASN 475 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1s3r s VAL 476 N -1.16 4.81 -0.00 3.53 1.01 -1.06 -1.24 120.40 126.29 1s3r s VAL 476 Ca 0.06 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1s3r s VAL 476 Cb 0.04 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.18 1s3r s VAL 476 CO 0.02 0.10 0.94 0.00 0.00 0.00 0.00 175.10 176.16 1s3r s ARG 477 N -2.54 0.81 -1.20 2.72 1.70 -0.52 -4.95 118.95 114.97 1s3r s ARG 477 Ca 0.31 -0.33 -0.06 0.00 -0.47 0.00 0.00 55.73 55.18 1s3r s ARG 477 Cb -0.12 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 1s3r s ARG 477 CO 0.24 -0.36 1.04 0.09 -1.08 0.00 0.00 175.30 175.23 1s3r n ASN 478 N -0.27 -4.90 -4.72 -2.89 4.13 -1.26 -0.17 115.26 105.18 1s3r n ASN 478 Ca -0.07 -0.51 -0.42 0.00 1.68 0.00 0.00 54.58 55.25 1s3r n ASN 478 Cb 0.61 -4.66 -0.03 0.00 -1.54 0.00 0.00 39.78 34.16 1s3r n ASN 478 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1s3r s ILE 479 N -3.30 3.28 -0.06 2.41 1.01 -1.26 -4.10 121.20 119.17 1s3r s ILE 479 Ca 0.39 0.92 0.02 0.00 0.00 0.00 0.00 60.65 61.98 1s3r s ILE 479 Cb -0.17 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.72 1s3r s ILE 479 CO 0.67 0.07 -0.11 -0.13 0.00 0.00 0.00 174.94 175.44 1s3r s ARG 480 N 1.07 1.58 -0.07 2.79 0.52 -0.10 -1.67 118.95 123.07 1s3r s ARG 480 Ca 0.65 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 55.52 1s3r s ARG 480 Cb -0.37 -1.34 0.01 0.00 0.52 0.00 0.00 34.95 33.77 1s3r s ARG 480 CO 0.30 -0.00 -0.14 0.08 0.02 0.00 0.00 175.30 175.56 1s3r s VAL 481 N 0.75 1.28 0.09 3.52 1.01 -0.72 -0.51 120.40 125.81 1s3r s VAL 481 Ca -0.13 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1s3r s VAL 481 Cb -0.15 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1s3r s VAL 481 CO 0.03 0.39 -0.21 -0.54 0.00 0.00 0.00 175.10 174.76 1s3r s LYS 482 N 0.63 1.21 -0.22 2.72 1.02 -0.61 -1.81 119.74 122.69 1s3r s LYS 482 Ca -0.15 -1.10 -0.05 0.00 0.02 0.00 0.00 55.97 54.70 1s3r s LYS 482 Cb -0.16 -1.44 0.07 0.00 -0.52 0.00 0.00 37.83 35.79 1s3r s LYS 482 CO 0.04 0.34 0.10 0.08 -0.92 0.00 0.00 175.35 175.00 1s3r s VAL 483 N -1.05 -0.05 0.10 3.17 1.01 -0.00 -0.68 120.40 122.89 1s3r s VAL 483 Ca 0.07 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1s3r s VAL 483 Cb -0.10 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 1s3r s VAL 483 CO 0.04 -0.44 0.55 -0.76 0.00 0.00 0.00 175.10 174.48 1s3r s LEU 484 N 2.11 4.45 0.26 3.92 1.43 -0.52 -1.29 118.68 129.04 1s3r s LEU 484 Ca 0.05 1.17 0.08 0.00 -1.03 0.00 0.00 54.13 54.40 1s3r s LEU 484 Cb -0.16 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1s3r s LEU 484 CO -0.19 0.21 0.09 -0.83 0.23 0.00 0.00 176.35 175.86 1s3r s GLY 485 N -1.34 1.54 0.22 -3.19 0.00 0.12 -1.31 107.32 103.36 1s3r s GLY 485 Ca 0.32 -1.53 -0.19 0.00 0.00 0.00 0.00 44.72 43.32 1s3r s GLY 485 CO 0.19 -1.58 0.71 0.00 0.00 0.00 0.00 173.10 172.41 1s3r s ALA 486 N -2.21 3.42 -0.21 3.20 0.00 -0.92 -1.27 121.76 123.78 1s3r s ALA 486 Ca 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 1s3r s ALA 486 Cb -0.07 -2.78 0.06 0.00 0.00 0.00 0.00 23.12 20.32 1s3r s ALA 486 CO 0.22 0.34 -0.01 0.95 0.00 0.00 0.00 175.76 177.26 1s3r s THR 487 N -1.56 1.00 0.00 0.00 -4.23 -1.22 -4.84 115.64 104.79 1s3r s THR 487 Ca 0.43 -0.83 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 1s3r s THR 487 Cb -0.16 -1.37 -0.08 0.00 1.34 0.00 0.00 72.50 72.23 1s3r s THR 487 CO 0.20 -0.13 0.66 0.61 -0.54 0.00 0.00 174.62 175.43 1s3r n GLY 488 N 4.88 0.33 3.30 3.99 0.00 -1.26 -4.61 105.19 111.81 1s3r n GLY 488 Ca -0.10 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1s3r n GLY 488 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s3r s LEU 489 N 0.00 -0.73 0.02 0.99 2.34 -1.26 -5.07 118.68 114.96 1s3r s LEU 489 Ca 0.14 0.72 0.18 0.00 0.06 0.00 0.00 54.13 55.23 1s3r s LEU 489 Cb 0.03 1.72 0.75 0.00 -0.56 0.00 0.00 46.19 48.13 1s3r s LEU 489 CO 0.07 -0.14 1.57 0.00 -1.06 0.00 0.00 176.35 176.79 1s3r n ALA 490 N 5.25 1.79 -0.01 1.48 0.00 -1.26 -2.17 120.51 125.58 1s3r n ALA 490 Ca -0.07 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.40 1s3r n ALA 490 Cb 0.52 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.54 1s3r n ALA 490 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1s3r n TRP 491 N -1.55 0.00 -3.33 0.00 2.14 -1.26 -4.52 117.44 108.92 1s3r n TRP 491 Ca 0.04 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.36 1s3r n TRP 491 Cb 0.21 -0.42 -0.08 0.00 -0.81 0.00 0.00 31.31 30.20 1s3r n TRP 491 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1s3r n GLU 492 N -2.14 1.04 0.00 -2.67 1.02 -1.13 -5.01 120.64 111.75 1s3r n GLU 492 Ca -0.04 -3.59 0.10 0.00 -0.02 0.00 0.00 57.16 53.61 1s3r n GLU 492 Cb 0.49 -1.59 0.46 0.00 -0.02 0.00 0.00 31.44 30.77 1s3r n GLU 492 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1s3r n PRO 493 N 1.63 0.03 -3.62 3.49 -0.04 -0.92 -4.64 135.00 130.93 1s3r n PRO 493 Ca 0.24 0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 1s3r n PRO 493 Cb 0.48 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 1s3r n PRO 493 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1s3r s TRP 494 N -2.95 -0.06 -0.14 0.54 0.52 -1.26 -3.41 118.94 112.18 1s3r s TRP 494 Ca 0.11 0.25 -0.06 0.00 0.02 0.00 0.00 56.10 56.42 1s3r s TRP 494 Cb 0.14 -0.43 -0.04 0.00 -1.15 0.00 0.00 33.47 31.99 1s3r s TRP 494 CO 0.37 -0.37 0.07 0.50 0.02 0.00 0.00 176.95 177.55 1s3r s ARG 495 N 2.24 3.62 0.74 4.98 3.52 -0.39 -4.92 118.95 128.73 1s3r s ARG 495 Ca 0.04 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.19 1s3r s ARG 495 Cb -0.14 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 1s3r s ARG 495 CO -0.07 0.51 0.88 -0.11 -0.81 0.00 0.00 175.30 175.70 1s3r n LEU 496 N 2.79 2.87 0.04 -0.88 0.00 -1.26 0.10 117.00 120.66 1s3r n LEU 496 Ca -0.18 0.62 0.00 0.00 0.00 0.00 0.00 56.01 56.45 1s3r n LEU 496 Cb 0.53 -1.37 0.00 0.00 0.00 0.00 0.00 43.42 42.58 1s3r n LEU 496 CO 0.33 -2.30 -0.09 -0.38 0.00 0.00 0.00 177.39 174.95 1s3r n ILE 497 N -2.64 0.10 -4.11 1.96 5.41 -0.41 -4.71 119.36 114.97 1s3r n ILE 497 Ca 0.12 0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.80 1s3r n ILE 497 Cb 0.50 -0.76 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 1s3r n ILE 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1s3r s TYR 498 N -2.00 0.69 0.15 1.39 5.04 -1.17 -5.02 117.35 116.43 1s3r s TYR 498 Ca 0.00 -0.81 -0.24 0.00 -2.44 0.00 0.00 57.07 53.58 1s3r s TYR 498 Cb 0.00 -0.43 0.07 0.00 0.35 0.00 0.00 41.96 41.95 1s3r s TYR 498 CO 0.00 -0.19 0.69 0.45 -1.34 0.00 0.00 175.55 175.16 1s3r s SER 499 N -2.51 -0.47 0.00 4.32 0.15 -1.26 -0.82 113.70 113.12 1s3r s SER 499 Ca 0.03 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1s3r s SER 499 Cb 0.01 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1s3r s SER 499 CO -0.04 -0.96 0.00 1.17 1.20 0.00 0.00 173.24 174.61 1s3r n LYS 500 N -0.37 0.00 -3.25 5.44 3.00 -0.75 -4.96 118.16 117.27 1s3r n LYS 500 Ca -0.13 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.99 1s3r n LYS 500 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 1s3r n LYS 500 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1s3r s ASN 501 N 0.00 5.83 -0.58 3.14 0.02 -1.26 -1.76 114.94 120.33 1s3r s ASN 501 Ca 0.00 -0.22 -0.24 0.00 -1.02 0.00 0.00 52.86 51.39 1s3r s ASN 501 Cb 0.00 -1.06 0.04 0.00 0.02 0.00 0.00 41.25 40.25 1s3r s ASN 501 CO 0.00 -0.59 0.64 0.47 0.02 0.00 0.00 177.10 177.64 1s3r n ASP 502 N -1.78 -5.60 -4.56 -1.22 8.00 -0.90 -4.92 116.55 105.58 1s3r n ASP 502 Ca 0.03 -0.35 -0.39 0.00 0.71 0.00 0.00 54.79 54.79 1s3r n ASP 502 Cb 0.58 -2.12 -0.11 0.00 -0.02 0.00 0.00 41.12 39.46 1s3r n ASP 502 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s3r s LEU 503 N -3.31 4.26 0.35 0.64 1.43 -0.67 -4.92 118.68 116.45 1s3r s LEU 503 Ca 0.24 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1s3r s LEU 503 Cb -0.03 -2.13 -0.13 0.00 0.03 0.00 0.00 46.19 43.94 1s3r s LEU 503 CO 0.87 -0.14 1.00 -2.65 0.23 0.00 0.00 176.35 175.67 1s3r n PRO 504 N 5.08 1.37 -2.69 1.29 -0.02 -1.26 -4.37 135.00 134.40 1s3r n PRO 504 Ca -0.13 0.49 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 1s3r n PRO 504 Cb 0.51 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1s3r n PRO 504 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1s3r n LEU 505 N 0.93 5.05 -4.81 2.45 7.94 -1.26 -4.98 117.00 122.32 1s3r n LEU 505 Ca 0.09 -4.10 -0.34 0.00 -1.11 0.00 0.00 56.01 50.56 1s3r n LEU 505 Cb 0.35 -1.71 -0.05 0.00 0.53 0.00 0.00 43.42 42.54 1s3r n LEU 505 CO 0.59 0.35 0.68 -0.69 -1.11 0.00 0.00 177.39 177.20 1s3r s VAL 506 N 3.36 4.09 0.54 1.96 1.01 -1.26 -4.81 120.40 125.29 1s3r s VAL 506 Ca 0.50 1.34 0.37 0.00 0.00 0.00 0.00 61.98 64.20 1s3r s VAL 506 Cb 0.02 -3.57 0.56 0.00 0.00 0.00 0.00 36.38 33.40 1s3r s VAL 506 CO 0.05 -0.24 1.79 1.55 0.00 0.00 0.00 175.10 178.26 1s3r h PRO 507 N 1.87 0.00 -1.18 2.72 0.13 -1.88 -3.27 132.00 130.39 1s3r h PRO 507 Ca -0.49 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 1s3r h PRO 507 Cb 1.20 -0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.11 1s3r h PRO 507 CO 0.60 0.00 -0.29 -1.14 -0.23 0.00 0.00 178.00 176.95 1s3r s GLN 508 N -4.94 0.54 -0.01 0.86 2.00 -1.25 -1.24 119.66 115.61 1s3r s GLN 508 Ca -0.05 0.98 0.06 0.00 -2.00 0.00 0.00 55.36 54.35 1s3r s GLN 508 Cb 0.23 0.45 -0.02 0.00 0.80 0.00 0.00 33.01 34.48 1s3r s GLN 508 CO 0.81 -0.59 -0.20 0.50 -0.50 0.00 0.00 175.29 175.31 1s3r s ARG 509 N 2.82 1.60 -0.20 1.67 3.52 -0.60 -2.23 118.95 125.54 1s3r s ARG 509 Ca 0.18 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1s3r s ARG 509 Cb -0.15 -1.56 0.03 0.00 -1.56 0.00 0.00 34.95 31.71 1s3r s ARG 509 CO -0.20 0.43 -0.18 -0.80 -0.81 0.00 0.00 175.30 173.73 1s3r s ASN 510 N -0.50 3.39 -0.54 -2.12 -0.87 -0.10 -0.68 114.94 113.52 1s3r s ASN 510 Ca 0.08 -0.80 -0.07 0.00 -1.57 0.00 0.00 52.86 50.50 1s3r s ASN 510 Cb -0.08 -1.49 0.14 0.00 -0.02 0.00 0.00 41.25 39.81 1s3r s ASN 510 CO -0.01 -0.04 0.39 -0.63 -2.57 0.00 0.00 177.10 174.25 1s3r s ILE 511 N 1.26 4.07 0.38 0.60 1.01 -0.58 -1.69 121.20 126.25 1s3r s ILE 511 Ca 0.02 -2.23 0.03 0.00 0.00 0.00 0.00 60.65 58.47 1s3r s ILE 511 Cb -0.14 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1s3r s ILE 511 CO -0.11 -0.82 0.56 -0.44 0.00 0.00 0.00 174.94 174.13 1s3r s SER 512 N 1.93 5.94 0.02 3.58 0.01 -0.92 -2.23 113.70 122.03 1s3r s SER 512 Ca 0.11 0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.39 1s3r s SER 512 Cb -0.22 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 1s3r s SER 512 CO -0.03 -0.54 0.09 -0.89 0.41 0.00 0.00 173.24 172.28 1s3r s THR 513 N -2.35 0.11 0.00 1.44 2.01 0.09 -2.25 115.64 114.68 1s3r s THR 513 Ca 0.46 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1s3r s THR 513 Cb -0.10 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1s3r s THR 513 CO 0.34 -0.50 0.00 -2.67 -0.69 0.00 0.00 174.62 171.10 1s3r n TRP 514 N 1.18 -0.09 -3.04 4.92 2.14 -1.17 -1.13 117.44 120.25 1s3r n TRP 514 Ca -0.21 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.36 1s3r n TRP 514 Cb 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.07 1s3r n TRP 514 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1s3r n GLY 515 N 0.00 -1.30 3.73 -1.67 0.00 -1.26 -1.37 105.19 103.32 1s3r n GLY 515 Ca 0.00 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 1s3r n GLY 515 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3r s THR 516 N 0.00 3.18 0.61 2.61 -4.23 -0.94 -2.05 115.64 114.81 1s3r s THR 516 Ca 0.00 -1.70 0.31 0.00 -1.18 0.00 0.00 61.69 59.12 1s3r s THR 516 Cb 0.00 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.22 1s3r s THR 516 CO 0.00 -0.22 2.10 0.74 -0.54 0.00 0.00 174.62 176.70 1s3r h THR 517 N 1.58 0.34 0.00 3.99 2.02 -1.92 -1.30 112.91 117.61 1s3r h THR 517 Ca -0.44 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1s3r h THR 517 Cb 1.25 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1s3r h THR 517 CO 0.62 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 176.40 1s3r h LEU 518 N 0.00 0.00 -7.43 2.58 3.38 -1.95 -3.43 115.31 108.47 1s3r h LEU 518 Ca 0.07 -0.15 -0.75 0.00 0.09 0.00 0.00 57.88 57.13 1s3r h LEU 518 Cb 0.48 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.92 1s3r h LEU 518 CO -0.00 0.60 0.19 1.41 0.09 0.00 0.00 178.44 180.73 1s3r n HIS 519 N -4.74 4.75 -1.77 1.13 8.25 -0.82 -5.05 115.22 116.96 1s3r n HIS 519 Ca -0.02 -4.01 -0.43 0.00 -0.26 0.00 0.00 57.72 53.00 1s3r n HIS 519 Cb 0.10 -1.42 -0.03 0.00 1.12 0.00 0.00 29.99 29.75 1s3r n HIS 519 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1s3r s PRO 520 N -1.37 3.53 0.72 -0.41 0.04 -0.55 -2.22 135.00 134.74 1s3r s PRO 520 Ca 0.29 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 1s3r s PRO 520 Cb -0.08 -4.24 0.07 0.00 0.04 0.00 0.00 34.50 30.30 1s3r s PRO 520 CO -0.10 -1.64 1.03 -0.65 0.04 0.00 0.00 177.00 175.68 1s3r s GLN 521 N 5.48 2.07 -0.25 4.56 -1.52 -0.47 -4.99 119.66 124.54 1s3r s GLN 521 Ca 0.89 -0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 53.68 1s3r s GLN 521 Cb -0.33 -2.17 0.17 0.00 -0.22 0.00 0.00 33.01 30.47 1s3r s GLN 521 CO 0.35 -1.32 1.26 -0.59 -0.25 0.00 0.00 175.29 174.75 1s3r s PHE 522 N -3.27 -0.12 -0.03 0.91 -0.12 -1.26 -3.06 117.98 111.03 1s3r s PHE 522 Ca 0.61 0.19 -0.03 0.00 -0.05 0.00 0.00 56.93 57.65 1s3r s PHE 522 Cb -0.10 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 42.78 1s3r s PHE 522 CO 0.45 -0.12 0.09 -2.00 -0.05 0.00 0.00 175.22 173.59 1s3r s GLU 523 N -1.18 0.15 -0.37 1.99 2.12 -0.96 -5.00 118.70 115.44 1s3r s GLU 523 Ca 0.07 0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.49 1s3r s GLU 523 Cb -0.01 0.07 0.11 0.00 0.26 0.00 0.00 34.13 34.56 1s3r s GLU 523 CO -0.05 -0.02 0.11 0.34 -0.54 0.00 0.00 175.26 175.10 1s3r s ASP 524 N -0.12 4.46 -0.11 -1.70 -1.08 -1.26 -2.16 116.67 114.69 1s3r s ASP 524 Ca -0.02 -2.25 0.01 0.00 -0.52 0.00 0.00 52.55 49.78 1s3r s ASP 524 Cb -0.02 -1.44 -0.01 0.00 -1.46 0.00 0.00 42.92 40.00 1s3r s ASP 524 CO 0.00 -0.35 -0.16 -0.75 0.52 0.00 0.00 175.17 174.43 1s3r s LYS 525 N 0.78 3.21 0.43 4.34 2.20 -0.68 -4.99 119.74 125.04 1s3r s LYS 525 Ca 0.12 -0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 54.87 1s3r s LYS 525 Cb -0.20 -2.51 -0.07 0.00 -1.51 0.00 0.00 37.83 33.54 1s3r s LYS 525 CO -0.09 0.24 0.82 0.08 -0.36 0.00 0.00 175.35 176.04 1s3r s VAL 526 N 0.26 4.73 0.00 4.02 1.01 -1.26 -0.92 120.40 128.23 1s3r s VAL 526 Ca -0.11 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1s3r s VAL 526 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1s3r s VAL 526 CO 0.06 -0.57 0.00 0.52 0.00 0.00 0.00 175.10 175.11 1s3r n VAL 527 N -1.40 0.00 -0.43 2.92 0.31 -0.95 -4.92 118.33 113.87 1s3r n VAL 527 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1s3r n VAL 527 Cb 0.54 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1s3r n VAL 527 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80