#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 0.00 -1.22 6.41 0.87 -2.06 -3.32 113.55 114.23 1s3r h SER 57 Ca 0.00 -0.50 0.42 0.00 -1.23 0.00 0.00 61.79 60.48 1s3r h SER 57 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 1s3r h SER 57 CO 0.00 1.43 0.76 -0.33 -0.53 0.00 0.00 176.83 178.16 1s3r h GLU 58 N -1.00 0.10 -0.19 2.24 4.39 -2.05 -1.17 114.58 116.90 1s3r h GLU 58 Ca -0.31 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.24 1s3r h GLU 58 Cb 1.24 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1s3r h GLU 58 CO -0.19 0.07 -0.43 0.00 -1.16 0.00 0.00 179.01 177.30 1s3r h ALA 59 N 1.70 0.31 -0.93 3.43 0.00 -2.00 -2.22 119.26 119.55 1s3r h ALA 59 Ca 0.82 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1s3r h ALA 59 Cb 2.40 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 1s3r h ALA 59 CO -0.50 0.43 0.54 0.00 0.00 0.00 0.00 179.25 179.72 1s3r h ALA 60 N 0.59 1.21 0.34 0.00 0.00 -1.32 -2.11 119.26 117.96 1s3r h ALA 60 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s3r h ALA 60 Cb 1.03 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s3r h ALA 60 CO 0.09 0.66 -0.16 0.87 0.00 0.00 0.00 179.25 180.72 1s3r h LYS 61 N 1.29 -0.44 -0.67 0.00 1.57 -1.48 -2.63 116.57 114.21 1s3r h LYS 61 Ca 0.33 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.28 1s3r h LYS 61 Cb -0.03 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.27 1s3r h LYS 61 CO -0.06 -0.11 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.46 1s3r h LYS 62 N -0.85 0.09 -0.95 3.15 3.64 -1.42 0.20 116.57 120.43 1s3r h LYS 62 Ca -0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1s3r h LYS 62 Cb 0.53 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1s3r h LYS 62 CO 0.08 0.06 0.62 0.00 -2.27 0.00 0.00 179.45 177.94 1s3r h ALA 63 N 1.63 1.22 0.45 5.00 0.00 -1.35 -0.99 119.26 125.21 1s3r h ALA 63 Ca 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1s3r h ALA 63 Cb 0.58 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1s3r h ALA 63 CO -0.60 0.56 -0.22 1.25 0.00 0.00 0.00 179.25 180.25 1s3r h LEU 64 N 1.25 -0.51 -0.70 0.00 7.12 -0.90 -2.78 115.31 118.79 1s3r h LEU 64 Ca 0.36 -0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.42 1s3r h LEU 64 Cb -0.10 0.13 -0.12 0.00 -0.53 0.00 0.00 40.66 40.04 1s3r h LEU 64 CO -0.09 -0.24 -0.39 0.78 -0.13 0.00 0.00 178.44 178.37 1s3r h ASN 65 N -0.77 -1.37 0.03 1.25 2.35 -0.38 -1.52 115.58 115.17 1s3r h ASN 65 Ca -0.06 0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.84 1s3r h ASN 65 Cb 0.54 0.67 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 1s3r h ASN 65 CO 0.10 -0.31 -0.34 0.44 -1.65 0.00 0.00 177.43 175.68 1s3r h ASP 66 N -0.14 0.45 -0.30 5.81 3.32 -1.27 -0.06 116.42 124.24 1s3r h ASP 66 Ca 0.24 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1s3r h ASP 66 Cb 0.56 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1s3r h ASP 66 CO -0.77 0.76 0.12 0.22 -1.72 0.00 0.00 179.24 177.85 1s3r h TYR 67 N 0.37 0.45 0.07 4.55 3.20 -1.09 1.01 116.97 125.54 1s3r h TYR 67 Ca 0.04 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1s3r h TYR 67 Cb 0.77 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1s3r h TYR 67 CO 0.02 0.45 -0.03 0.82 -1.64 0.00 0.00 178.16 177.77 1s3r h ILE 68 N 0.33 1.21 -1.09 1.81 1.08 -1.10 -2.80 117.51 116.94 1s3r h ILE 68 Ca 0.10 -1.32 0.30 0.00 -0.39 0.00 0.00 64.86 63.55 1s3r h ILE 68 Cb 0.19 2.03 -0.10 0.00 -3.07 0.00 0.00 36.82 35.86 1s3r h ILE 68 CO -0.01 0.31 0.70 -0.50 -0.69 0.00 0.00 178.15 177.96 1s3r h TRP 69 N -0.73 0.66 0.00 1.37 6.55 -0.99 -1.60 115.95 121.20 1s3r h TRP 69 Ca -0.01 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1s3r h TRP 69 Cb 0.59 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 1s3r h TRP 69 CO 0.12 -0.01 0.06 0.78 -1.05 0.00 0.00 178.44 178.35 1s3r h GLY 70 N 0.33 0.00 -3.84 1.49 0.00 0.14 -3.45 103.07 97.74 1s3r h GLY 70 Ca 0.65 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 47.48 1s3r h GLY 70 CO -0.34 0.00 0.37 1.08 0.00 0.00 0.00 176.54 177.65 1s3r s LEU 71 N -5.63 4.60 -0.19 3.11 1.43 -0.61 -5.02 118.68 116.38 1s3r s LEU 71 Ca -0.04 1.97 -0.03 0.00 -1.03 0.00 0.00 54.13 54.99 1s3r s LEU 71 Cb 0.10 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1s3r s LEU 71 CO 0.33 0.07 -0.05 -1.10 0.23 0.00 0.00 176.35 175.83 1s3r s GLN 72 N -0.96 3.48 0.15 1.70 -1.52 -1.26 -5.07 119.66 116.18 1s3r s GLN 72 Ca 0.43 -0.60 -0.21 0.00 -1.95 0.00 0.00 55.36 53.03 1s3r s GLN 72 Cb -0.26 -2.93 0.06 0.00 -0.22 0.00 0.00 33.01 29.65 1s3r s GLN 72 CO 0.33 0.01 0.54 1.52 -0.25 0.00 0.00 175.29 177.43 1s3r s TYR 73 N 0.96 -0.43 -1.19 0.91 -0.85 -1.26 -4.81 117.35 110.68 1s3r s TYR 73 Ca -0.00 0.19 -0.20 0.00 -0.52 0.00 0.00 57.07 56.54 1s3r s TYR 73 Cb -0.15 0.47 0.05 0.00 0.38 0.00 0.00 41.96 42.71 1s3r s TYR 73 CO 0.01 -0.81 1.66 0.34 -1.52 0.00 0.00 175.55 175.23 1s3r s ASP 74 N -2.77 6.58 0.00 -0.18 -1.08 -1.26 -4.93 116.67 113.04 1s3r s ASP 74 Ca 0.02 -2.03 0.00 0.00 -0.52 0.00 0.00 52.55 50.02 1s3r s ASP 74 Cb -0.00 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1s3r s ASP 74 CO -0.13 -1.43 0.22 1.17 0.52 0.00 0.00 175.17 175.53 1s3r n LYS 75 N 8.57 0.00 -0.65 4.34 4.81 -1.26 -0.56 118.16 133.40 1s3r n LYS 75 Ca 0.43 0.22 -0.05 0.00 -0.87 0.00 0.00 58.31 58.04 1s3r n LYS 75 Cb 0.48 -0.36 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 1s3r n LYS 75 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1s3r n LEU 76 N -1.65 5.58 0.00 3.14 -0.00 -1.26 -3.88 117.00 118.93 1s3r n LEU 76 Ca 0.00 -2.70 0.00 0.00 -0.00 0.00 0.00 56.01 53.31 1s3r n LEU 76 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 43.42 42.27 1s3r n LEU 76 CO 0.00 1.15 0.00 -3.20 -0.00 0.00 0.00 177.39 175.34 1s3r n ASN 77 N 1.38 0.00 0.02 1.45 5.15 0.28 -4.91 115.26 118.62 1s3r n ASN 77 Ca 0.12 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.19 1s3r n ASN 77 Cb 0.56 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 40.23 1s3r n ASN 77 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1s3r n ILE 78 N -0.77 0.69 -2.51 -1.44 -5.35 -0.92 -2.49 119.36 106.57 1s3r n ILE 78 Ca 0.00 0.16 -0.32 0.00 -0.27 0.00 0.00 62.75 62.31 1s3r n ILE 78 Cb 0.00 -0.86 0.00 0.00 -1.74 0.00 0.00 39.64 37.04 1s3r n ILE 78 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1s3r n LEU 79 N -1.60 5.72 -4.11 7.28 4.77 -1.26 -4.85 117.00 122.95 1s3r n LEU 79 Ca 0.04 -5.29 -0.29 0.00 -0.03 0.00 0.00 56.01 50.44 1s3r n LEU 79 Cb 0.23 -0.74 -0.17 0.00 -2.33 0.00 0.00 43.42 40.42 1s3r n LEU 79 CO 0.19 2.14 -0.51 -0.89 -1.33 0.00 0.00 177.39 176.98 1s3r s THR 80 N -4.95 1.62 -0.07 -5.08 2.01 -1.04 -0.35 115.64 107.79 1s3r s THR 80 Ca 0.48 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1s3r s THR 80 Cb 0.34 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1s3r s THR 80 CO -0.22 0.46 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.78 1s3r s HIS 81 N 0.63 2.78 -0.19 4.92 5.04 0.27 -4.96 115.29 123.77 1s3r s HIS 81 Ca -0.14 -0.22 -0.04 0.00 -1.54 0.00 0.00 55.06 53.12 1s3r s HIS 81 Cb -0.16 -1.70 -0.02 0.00 0.04 0.00 0.00 32.58 30.74 1s3r s HIS 81 CO 0.04 0.14 -0.02 -1.14 -2.34 0.00 0.00 174.74 171.41 1s3r s GLN 82 N -0.51 3.57 0.00 2.88 2.00 -1.26 -1.26 119.66 125.09 1s3r s GLN 82 Ca 0.07 -0.55 0.00 0.00 -2.00 0.00 0.00 55.36 52.88 1s3r s GLN 82 Cb -0.12 -3.00 0.00 0.00 0.80 0.00 0.00 33.01 30.69 1s3r s GLN 82 CO 0.02 0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.26 1s3r n GLY 83 N 4.12 0.93 3.78 2.59 0.00 0.12 -4.99 105.19 111.74 1s3r n GLY 83 Ca -0.17 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1s3r n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s3r s GLU 84 N 2.35 4.21 -0.11 1.61 2.02 -1.26 -4.88 118.70 122.64 1s3r s GLU 84 Ca 0.00 1.50 0.00 0.00 0.02 0.00 0.00 54.97 56.49 1s3r s GLU 84 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1s3r s GLU 84 CO 0.00 -0.10 -0.10 0.15 0.02 0.00 0.00 175.26 175.22 1s3r s LYS 85 N -2.46 3.15 0.02 1.61 1.02 -1.26 -0.43 119.74 121.39 1s3r s LYS 85 Ca 0.57 -0.63 0.08 0.00 0.02 0.00 0.00 55.97 56.01 1s3r s LYS 85 Cb -0.22 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1s3r s LYS 85 CO 0.27 0.38 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.35 1s3r s LEU 86 N -0.07 2.37 0.50 3.17 1.43 -1.26 -4.98 118.68 119.84 1s3r s LEU 86 Ca -0.01 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 1s3r s LEU 86 Cb -0.14 -1.41 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 1s3r s LEU 86 CO 0.03 0.28 1.40 1.17 0.23 0.00 0.00 176.35 179.46 1s3r n LYS 87 N 1.84 2.00 -1.61 1.70 3.00 -1.26 -4.94 118.16 118.89 1s3r n LYS 87 Ca -0.17 0.72 -0.39 0.00 -0.00 0.00 0.00 58.31 58.48 1s3r n LYS 87 Cb 0.52 -2.61 0.04 0.00 0.00 0.00 0.00 35.03 32.97 1s3r n LYS 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1s3r n ASN 88 N -0.57 0.91 -3.64 3.14 3.02 -1.26 -4.89 115.26 111.97 1s3r n ASN 88 Ca 0.08 0.88 -0.08 0.00 -0.03 0.00 0.00 54.58 55.43 1s3r n ASN 88 Cb 0.43 -1.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.16 1s3r n ASN 88 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s3r s HIS 89 N -1.44 -0.94 -0.22 3.10 5.65 -1.26 -5.00 115.29 115.17 1s3r s HIS 89 Ca 0.71 1.96 -0.03 0.00 0.25 0.00 0.00 55.06 57.94 1s3r s HIS 89 Cb -0.46 0.53 0.11 0.00 -1.18 0.00 0.00 32.58 31.57 1s3r s HIS 89 CO 0.51 -0.46 0.27 0.45 -0.65 0.00 0.00 174.74 174.85 1s3r s SER 90 N 1.32 1.16 0.26 9.88 0.15 -1.26 -1.52 113.70 123.69 1s3r s SER 90 Ca -0.08 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.40 1s3r s SER 90 Cb -0.05 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1s3r s SER 90 CO -0.15 -0.33 0.09 -0.94 1.20 0.00 0.00 173.24 173.11 1s3r s SER 91 N 2.38 1.33 0.28 5.45 1.04 -0.09 -5.02 113.70 119.08 1s3r s SER 91 Ca 0.09 -1.37 -0.11 0.00 0.48 0.00 0.00 55.95 55.04 1s3r s SER 91 Cb -0.15 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1s3r s SER 91 CO -0.16 -0.71 0.51 0.00 0.98 0.00 0.00 173.24 173.87 1s3r s ARG 92 N -4.01 1.70 -0.15 4.02 1.70 -1.26 -1.03 118.95 119.91 1s3r s ARG 92 Ca 0.37 -1.39 -0.06 0.00 -0.47 0.00 0.00 55.73 54.18 1s3r s ARG 92 Cb 0.08 0.48 0.07 0.00 -0.57 0.00 0.00 34.95 35.01 1s3r s ARG 92 CO 0.13 -0.72 0.33 -2.00 -1.08 0.00 0.00 175.30 171.96 1s3r s GLU 93 N -3.63 0.25 0.03 3.89 2.12 -0.57 -4.98 118.70 115.81 1s3r s GLU 93 Ca 0.24 0.80 0.04 0.00 0.36 0.00 0.00 54.97 56.41 1s3r s GLU 93 Cb -0.01 0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.41 1s3r s GLU 93 CO 0.12 -0.23 -0.13 0.00 -0.54 0.00 0.00 175.26 174.48 1s3r s ALA 94 N 2.10 1.06 0.26 6.30 0.00 -1.26 -0.15 121.76 130.07 1s3r s ALA 94 Ca -0.03 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 1s3r s ALA 94 Cb -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1s3r s ALA 94 CO -0.10 0.19 0.59 -0.59 0.00 0.00 0.00 175.76 175.85 1s3r s PHE 95 N -0.83 0.08 -0.10 0.00 -0.12 -0.29 -4.98 117.98 111.73 1s3r s PHE 95 Ca 0.01 -0.49 -0.06 0.00 -0.05 0.00 0.00 56.93 56.33 1s3r s PHE 95 Cb -0.08 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1s3r s PHE 95 CO 0.01 -1.11 0.15 -1.01 -0.05 0.00 0.00 175.22 173.21 1s3r s HIS 96 N -3.97 3.59 -0.22 3.49 3.76 -1.26 -1.36 115.29 119.32 1s3r s HIS 96 Ca 0.17 0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 55.40 1s3r s HIS 96 Cb -0.03 -1.92 0.06 0.00 1.11 0.00 0.00 32.58 31.80 1s3r s HIS 96 CO 0.08 0.72 0.57 1.03 -0.85 0.00 0.00 174.74 176.29 1s3r s ARG 97 N -1.18 0.63 -0.01 1.40 0.52 -1.08 -4.97 118.95 114.27 1s3r s ARG 97 Ca 0.17 0.89 -0.26 0.00 -0.52 0.00 0.00 55.73 56.01 1s3r s ARG 97 Cb -0.12 0.22 -0.13 0.00 0.52 0.00 0.00 34.95 35.44 1s3r s ARG 97 CO 0.06 -0.11 0.71 -0.35 0.02 0.00 0.00 175.30 175.63 1s3r n PRO 98 N 3.37 0.00 -0.54 3.54 -0.04 -1.26 -1.15 135.00 138.93 1s3r n PRO 98 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1s3r n PRO 98 Cb 0.56 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1s3r n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3r n GLY 99 N 1.04 1.04 3.35 0.55 0.00 -1.26 -4.94 105.19 104.96 1s3r n GLY 99 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 0.98 -0.25 1.61 -1.05 -0.30 -0.69 118.70 118.76 1s3r s GLU 100 Ca 0.00 -0.36 -0.02 0.00 -0.15 0.00 0.00 54.97 54.44 1s3r s GLU 100 Cb 0.00 0.44 0.03 0.00 -0.44 0.00 0.00 34.13 34.16 1s3r s GLU 100 CO 0.00 -0.35 -0.06 -0.47 0.95 0.00 0.00 175.26 175.33 1s3r s TYR 101 N -2.64 3.06 -0.05 4.83 5.04 -0.84 -2.62 117.35 124.12 1s3r s TYR 101 Ca -0.04 -1.54 -0.11 0.00 -2.44 0.00 0.00 57.07 52.94 1s3r s TYR 101 Cb -0.00 -2.06 -0.05 0.00 0.35 0.00 0.00 41.96 40.20 1s3r s TYR 101 CO -0.03 -0.73 0.28 0.08 -1.34 0.00 0.00 175.55 173.81 1s3r s VAL 102 N 1.33 5.26 -0.28 3.14 1.01 -0.47 -2.72 120.40 127.67 1s3r s VAL 102 Ca 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1s3r s VAL 102 Cb -0.17 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.74 1s3r s VAL 102 CO -0.05 0.58 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 1s3r s VAL 103 N -1.08 0.42 -0.67 2.92 1.01 0.04 -1.14 120.40 121.91 1s3r s VAL 103 Ca 0.20 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 1s3r s VAL 103 Cb -0.14 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.03 1s3r s VAL 103 CO 0.09 -0.60 1.10 -0.63 0.00 0.00 0.00 175.10 175.07 1s3r s ILE 104 N 1.86 4.07 -0.20 2.22 1.01 0.79 -2.01 121.20 128.94 1s3r s ILE 104 Ca 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.78 1s3r s ILE 104 Cb -0.17 -4.76 -0.04 0.00 0.01 0.00 0.00 42.46 37.50 1s3r s ILE 104 CO -0.26 -1.56 0.09 -0.70 0.00 0.00 0.00 174.94 172.51 1s3r s GLU 105 N 4.78 3.99 -0.24 2.79 2.12 -0.04 -1.50 118.70 130.59 1s3r s GLU 105 Ca 0.30 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.28 1s3r s GLU 105 Cb -0.12 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1s3r s GLU 105 CO 0.15 0.18 -0.05 0.15 -0.54 0.00 0.00 175.26 175.15 1s3r s LYS 106 N 0.65 3.04 0.27 4.30 1.02 -0.20 -1.31 119.74 127.50 1s3r s LYS 106 Ca 0.05 -0.85 0.11 0.00 0.02 0.00 0.00 55.97 55.31 1s3r s LYS 106 Cb -0.13 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1s3r s LYS 106 CO 0.01 -0.33 -0.20 0.15 -0.92 0.00 0.00 175.35 174.07 1s3r s LYS 107 N 1.39 1.63 -0.04 1.68 1.02 -0.87 -0.91 119.74 123.64 1s3r s LYS 107 Ca 0.03 -1.73 -0.20 0.00 0.02 0.00 0.00 55.97 54.08 1s3r s LYS 107 Cb -0.16 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 1s3r s LYS 107 CO -0.04 0.32 0.58 0.21 -0.92 0.00 0.00 175.35 175.50 1s3r s LYS 108 N -3.48 4.32 0.24 1.68 2.36 -0.57 -0.93 119.74 123.36 1s3r s LYS 108 Ca 0.29 0.69 0.01 0.00 -2.55 0.00 0.00 55.97 54.40 1s3r s LYS 108 Cb -0.05 -3.37 -0.05 0.00 -1.05 0.00 0.00 37.83 33.31 1s3r s LYS 108 CO 0.14 0.29 0.09 -0.65 1.55 0.00 0.00 175.35 176.77 1s3r s GLN 109 N 0.08 1.35 0.04 4.03 -1.52 0.86 -4.87 119.66 119.63 1s3r s GLN 109 Ca 0.31 -1.72 0.03 0.00 -1.95 0.00 0.00 55.36 52.03 1s3r s GLN 109 Cb -0.17 -0.18 -0.02 0.00 -0.22 0.00 0.00 33.01 32.42 1s3r s GLN 109 CO 0.16 -0.29 -0.10 -1.54 -0.25 0.00 0.00 175.29 173.27 1s3r s SER 110 N -3.27 1.10 -0.04 5.90 1.04 -1.26 -0.43 113.70 116.74 1s3r s SER 110 Ca 0.37 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.39 1s3r s SER 110 Cb 0.08 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1s3r s SER 110 CO 0.12 -0.10 -0.24 -0.51 0.98 0.00 0.00 173.24 173.50 1s3r s ILE 111 N -1.06 1.93 -0.29 -1.02 2.07 -0.22 -4.98 121.20 117.62 1s3r s ILE 111 Ca -0.05 -1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 58.17 1s3r s ILE 111 Cb -0.08 -1.62 0.09 0.00 0.13 0.00 0.00 42.46 40.98 1s3r s ILE 111 CO 0.01 0.54 0.08 -0.55 -1.91 0.00 0.00 174.94 173.11 1s3r s SER 112 N -0.35 3.91 -0.06 4.50 0.15 -1.26 -1.75 113.70 118.83 1s3r s SER 112 Ca 0.03 -1.52 0.03 0.00 0.70 0.00 0.00 55.95 55.19 1s3r s SER 112 Cb -0.11 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.28 1s3r s SER 112 CO 0.01 -0.39 -0.13 0.21 1.20 0.00 0.00 173.24 174.15 1s3r s ASN 113 N 1.60 4.16 -0.07 5.45 2.47 -0.13 -4.98 114.94 123.44 1s3r s ASN 113 Ca 0.07 -0.17 -0.01 0.00 0.42 0.00 0.00 52.86 53.18 1s3r s ASN 113 Cb -0.17 -0.96 0.03 0.00 -1.45 0.00 0.00 41.25 38.69 1s3r s ASN 113 CO -0.21 0.34 -0.01 0.00 -3.72 0.00 0.00 177.10 173.50 1s3r s ALA 114 N -0.68 0.70 0.02 1.71 0.00 -1.26 -1.23 121.76 121.03 1s3r s ALA 114 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1s3r s ALA 114 Cb -0.11 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1s3r s ALA 114 CO 0.01 -0.38 -0.04 0.99 0.00 0.00 0.00 175.76 176.34 1s3r s THR 115 N 1.78 0.24 -0.10 0.00 2.01 0.09 -4.97 115.64 114.69 1s3r s THR 115 Ca 0.02 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.50 1s3r s THR 115 Cb -0.13 -0.30 -0.14 0.00 0.01 0.00 0.00 72.50 71.94 1s3r s THR 115 CO -0.04 -0.25 0.07 -1.54 -0.69 0.00 0.00 174.62 172.17 1s3r n SER 116 N 2.15 2.25 -4.56 3.53 3.41 -1.26 -0.31 113.62 118.83 1s3r n SER 116 Ca -0.19 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 1s3r n SER 116 Cb 0.57 0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 65.38 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 -2.35 3.55 0.43 4.33 1.02 -1.26 -4.47 119.74 120.99 1s3r s LYS 117 Ca -0.05 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 54.78 1s3r s LYS 117 Cb 0.04 -5.23 -0.06 0.00 -0.52 0.00 0.00 37.83 32.06 1s3r s LYS 117 CO 0.46 -2.19 0.81 -0.51 -0.92 0.00 0.00 175.35 173.00 1s3r s LEU 118 N 5.01 3.76 -0.14 3.17 1.43 0.04 -4.85 118.68 127.11 1s3r s LEU 118 Ca 0.45 1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 54.66 1s3r s LEU 118 Cb -0.01 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 1s3r s LEU 118 CO -0.07 -0.46 0.15 -0.94 0.23 0.00 0.00 176.35 175.26 1s3r s SER 119 N -3.24 6.36 0.04 2.29 1.04 -1.26 -0.58 113.70 118.35 1s3r s SER 119 Ca 0.52 0.43 -0.25 0.00 0.48 0.00 0.00 55.95 57.13 1s3r s SER 119 Cb -0.10 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 1s3r s SER 119 CO 0.33 0.35 0.77 -0.69 0.98 0.00 0.00 173.24 174.98 1s3r s VAL 120 N -0.70 4.74 0.24 5.02 1.01 -0.53 -4.87 120.40 125.31 1s3r s VAL 120 Ca 0.14 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.80 1s3r s VAL 120 Cb -0.12 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1s3r s VAL 120 CO 0.03 0.36 -0.04 -0.94 0.00 0.00 0.00 175.10 174.51 1s3r s SER 121 N -0.02 2.20 0.25 3.32 1.04 -1.26 -4.82 113.70 114.42 1s3r s SER 121 Ca 0.39 -1.18 -0.05 0.00 0.48 0.00 0.00 55.95 55.58 1s3r s SER 121 Cb -0.20 -0.06 0.28 0.00 0.10 0.00 0.00 66.02 66.14 1s3r s SER 121 CO 0.23 -0.42 1.87 0.77 0.98 0.00 0.00 173.24 176.67 1s3r h SER 122 N 2.43 1.04 -0.75 7.02 4.64 -1.99 0.36 113.55 126.31 1s3r h SER 122 Ca -0.39 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1s3r h SER 122 Cb 1.22 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 1s3r h SER 122 CO 0.65 0.85 0.44 0.00 -0.87 0.00 0.00 176.83 177.90 1s3r h ALA 123 N 1.32 0.95 0.00 5.18 0.00 -1.98 -3.25 119.26 121.49 1s3r h ALA 123 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1s3r h ALA 123 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1s3r h ALA 123 CO -0.04 0.43 -0.83 0.27 0.00 0.00 0.00 179.25 179.08 1s3r n ASN 124 N -4.50 0.63 -0.24 0.00 0.23 -0.86 -4.62 115.26 105.90 1s3r n ASN 124 Ca 0.07 -0.19 0.14 0.00 -0.53 0.00 0.00 54.58 54.07 1s3r n ASN 124 Cb 0.06 0.56 0.27 0.00 -2.08 0.00 0.00 39.78 38.59 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 -1.87 0.02 -0.01 0.53 2.03 0.12 -1.50 116.55 115.87 1s3r n ASP 125 Ca 0.03 1.20 0.13 0.00 0.52 0.00 0.00 54.79 56.67 1s3r n ASP 125 Cb 0.41 -0.48 0.44 0.00 -0.72 0.00 0.00 41.12 40.77 1s3r n ASP 125 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1s3r n ASP 126 N -4.85 0.28 -0.43 1.67 5.75 -1.26 -2.48 116.55 115.22 1s3r n ASP 126 Ca 0.20 0.06 0.10 0.00 -0.01 0.00 0.00 54.79 55.14 1s3r n ASP 126 Cb 0.66 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 1s3r n ASP 126 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1s3r n ARG 127 N -1.45 1.22 -3.58 0.11 1.74 -0.56 -4.72 116.66 109.42 1s3r n ARG 127 Ca 0.07 -0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 55.86 1s3r n ARG 127 Cb 0.33 -1.44 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 1s3r n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1s3r s ILE 128 N -2.42 4.28 -0.17 0.55 -1.09 -1.03 -4.92 121.20 116.40 1s3r s ILE 128 Ca 0.17 -1.49 -0.20 0.00 -2.23 0.00 0.00 60.65 56.89 1s3r s ILE 128 Cb 0.17 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1s3r s ILE 128 CO 0.57 -0.59 0.54 0.72 -1.23 0.00 0.00 174.94 174.94 1s3r s PHE 129 N 1.42 -0.56 -0.14 3.97 -0.12 -1.26 -4.99 117.98 116.29 1s3r s PHE 129 Ca 0.04 1.30 -0.38 0.00 -0.05 0.00 0.00 56.93 57.84 1s3r s PHE 129 Cb -0.24 0.22 -0.16 0.00 -0.63 0.00 0.00 43.02 42.21 1s3r s PHE 129 CO 0.02 -0.34 1.63 -2.30 -0.05 0.00 0.00 175.22 174.18 1s3r n PRO 130 N 2.42 1.28 -0.05 1.99 -0.02 -1.26 -1.87 135.00 137.49 1s3r n PRO 130 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1s3r n PRO 130 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 3.69 0.98 3.79 -1.23 0.00 -0.05 -5.01 105.19 107.34 1s3r n GLY 131 Ca 0.23 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 3.46 -0.29 4.61 0.00 -0.78 -4.75 121.76 122.00 1s3r s ALA 132 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 1s3r s ALA 132 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1s3r s ALA 132 CO 0.00 0.31 0.36 -0.51 0.00 0.00 0.00 175.76 175.92 1s3r s LEU 133 N -1.26 4.16 0.34 0.00 1.43 -1.26 -1.55 118.68 120.54 1s3r s LEU 133 Ca 0.36 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 1s3r s LEU 133 Cb -0.22 -2.38 -0.07 0.00 0.03 0.00 0.00 46.19 43.56 1s3r s LEU 133 CO 0.25 -0.23 -0.05 -0.76 0.23 0.00 0.00 176.35 175.79 1s3r s LEU 134 N 2.04 2.64 0.20 1.79 1.43 -0.75 -0.27 118.68 125.77 1s3r s LEU 134 Ca 0.13 -1.25 -0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1s3r s LEU 134 Cb -0.16 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 1s3r s LEU 134 CO 0.11 -0.34 0.42 -0.54 0.23 0.00 0.00 176.35 176.23 1s3r s LYS 135 N -3.69 3.58 -1.20 1.70 1.02 -1.20 -0.90 119.74 119.05 1s3r s LYS 135 Ca 0.33 -0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.06 1s3r s LYS 135 Cb 0.05 -2.80 0.22 0.00 -0.52 0.00 0.00 37.83 34.78 1s3r s LYS 135 CO 0.15 0.38 1.59 0.00 -0.92 0.00 0.00 175.35 176.56 1s3r n ALA 136 N -0.44 4.85 -3.44 5.17 0.00 -0.61 -4.54 120.51 121.50 1s3r n ALA 136 Ca -0.03 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 48.95 1s3r n ALA 136 Cb 0.53 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 3.52 1.24 0.05 0.00 5.68 -1.26 -4.40 116.55 121.38 1s3r n ASP 137 Ca 0.34 -0.70 0.09 0.00 -0.50 0.00 0.00 54.79 54.01 1s3r n ASP 137 Cb 0.37 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.88 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 0.31 -0.76 0.11 5.75 -1.92 -2.43 115.11 116.17 1s3r h GLN 138 Ca 0.00 -0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1s3r h GLN 138 Cb 0.00 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1s3r h GLN 138 CO 0.00 0.20 0.28 0.77 -2.65 0.00 0.00 178.83 177.44 1s3r h SER 139 N 0.32 1.07 0.24 -0.69 0.02 -1.92 -1.41 113.55 111.18 1s3r h SER 139 Ca 0.15 -0.18 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1s3r h SER 139 Cb 0.22 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1s3r h SER 139 CO -0.03 0.96 -0.65 0.25 -1.14 0.00 0.00 176.83 176.22 1s3r h LEU 140 N 1.11 0.45 -1.64 5.07 5.85 -1.72 0.30 115.31 124.73 1s3r h LEU 140 Ca 0.25 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1s3r h LEU 140 Cb 0.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1s3r h LEU 140 CO -0.02 0.98 0.06 -0.07 -0.34 0.00 0.00 178.44 179.05 1s3r h LEU 141 N 0.28 0.26 -0.66 2.25 3.38 -1.03 -1.56 115.31 118.24 1s3r h LEU 141 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1s3r h LEU 141 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1s3r h LEU 141 CO 0.11 0.26 -0.24 -0.62 0.09 0.00 0.00 178.44 178.05 1s3r n GLU 142 N -4.43 1.04 -2.79 1.13 1.02 -0.57 -4.58 120.64 111.47 1s3r n GLU 142 Ca 0.00 -0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 56.35 1s3r n GLU 142 Cb 0.14 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.10 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 -0.41 -4.37 -3.18 1.62 5.15 -0.48 -3.94 115.26 109.66 1s3r n ASN 143 Ca 0.13 -0.20 -0.20 0.00 -0.60 0.00 0.00 54.58 53.71 1s3r n ASN 143 Cb 0.37 -3.20 -0.04 0.00 -0.53 0.00 0.00 39.78 36.38 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 -2.64 1.04 -4.75 1.20 7.94 0.95 -4.67 117.00 116.06 1s3r n LEU 144 Ca -0.06 -5.01 -0.41 0.00 -1.11 0.00 0.00 56.01 49.42 1s3r n LEU 144 Cb 0.57 0.58 -0.02 0.00 0.53 0.00 0.00 43.42 45.07 1s3r n LEU 144 CO 0.30 2.25 1.13 -2.16 -1.11 0.00 0.00 177.39 177.79 1s3r s PRO 145 N -2.26 4.23 -0.03 1.96 0.04 -1.12 -4.49 135.00 133.32 1s3r s PRO 145 Ca 0.40 2.39 -0.30 0.00 0.04 0.00 0.00 61.00 63.52 1s3r s PRO 145 Cb 0.30 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 1s3r s PRO 145 CO -0.09 -0.45 1.02 0.99 0.04 0.00 0.00 177.00 178.50 1s3r s THR 146 N -0.26 4.75 0.52 1.26 2.01 -1.26 -4.91 115.64 117.74 1s3r s THR 146 Ca 0.58 1.99 -0.22 0.00 0.31 0.00 0.00 61.69 64.35 1s3r s THR 146 Cb -0.44 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 67.74 1s3r s THR 146 CO 0.48 0.10 1.27 -0.76 -0.69 0.00 0.00 174.62 175.02 1s3r s LEU 147 N 1.38 3.90 -0.10 4.42 1.43 -1.26 -3.25 118.68 125.20 1s3r s LEU 147 Ca 0.52 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.95 1s3r s LEU 147 Cb -0.21 -4.29 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1s3r s LEU 147 CO 0.25 -1.32 0.63 -0.63 0.23 0.00 0.00 176.35 175.50 1s3r s ILE 148 N -1.42 5.08 -1.00 -0.59 1.01 0.63 -4.94 121.20 119.97 1s3r s ILE 148 Ca 0.69 1.28 -0.23 0.00 0.00 0.00 0.00 60.65 62.38 1s3r s ILE 148 Cb -0.35 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.17 1s3r s ILE 148 CO 0.41 0.26 1.63 -2.16 0.00 0.00 0.00 174.94 175.08 1s3r s PRO 149 N 0.89 3.27 -0.24 2.79 0.04 -1.26 -4.89 135.00 135.60 1s3r s PRO 149 Ca 0.33 -0.92 -0.24 0.00 0.04 0.00 0.00 61.00 60.22 1s3r s PRO 149 Cb -0.17 -5.28 0.07 0.00 0.04 0.00 0.00 34.50 29.16 1s3r s PRO 149 CO 0.15 -2.61 0.67 0.54 0.04 0.00 0.00 177.00 175.78 1s3r s VAL 150 N 6.65 0.00 0.41 -0.36 0.11 -1.26 -5.07 120.40 120.88 1s3r s VAL 150 Ca 0.54 -0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.33 1s3r s VAL 150 Cb -0.02 -0.93 -0.10 0.00 -1.53 0.00 0.00 36.38 33.80 1s3r s VAL 150 CO -0.06 -0.00 1.30 0.59 -3.33 0.00 0.00 175.10 173.60 1s3r n ASN 151 N 2.61 2.70 -4.67 3.54 3.02 -1.26 -4.89 115.26 116.31 1s3r n ASN 151 Ca -0.14 1.13 -0.24 0.00 -0.03 0.00 0.00 54.58 55.30 1s3r n ASN 151 Cb 0.55 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.14 1s3r n ASN 151 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1s3r s ARG 152 N -2.17 2.20 0.37 3.52 0.52 -1.26 -0.26 118.95 121.86 1s3r s ARG 152 Ca 0.60 -1.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 1s3r s ARG 152 Cb -0.51 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 1s3r s ARG 152 CO 0.59 0.13 0.31 0.20 0.02 0.00 0.00 175.30 176.55 1s3r s GLY 153 N -3.76 1.94 0.30 -3.53 0.00 -0.83 -3.71 107.32 97.74 1s3r s GLY 153 Ca 0.36 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 43.06 1s3r s GLY 153 CO 0.21 -1.65 0.30 0.28 0.00 0.00 0.00 173.10 172.24 1s3r n LYS 154 N -1.41 0.00 -3.94 2.90 5.02 -1.24 -4.69 118.16 114.80 1s3r n LYS 154 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1s3r n LYS 154 Cb 0.61 -1.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.34 1.22 -0.22 -0.18 2.01 -0.69 -4.86 115.64 111.58 1s3r s THR 155 Ca 0.61 -0.47 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 1s3r s THR 155 Cb -0.78 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1s3r s THR 155 CO 0.59 0.35 0.50 -0.89 -0.69 0.00 0.00 174.62 174.48 1s3r s THR 156 N 1.62 5.11 0.13 -0.82 2.01 -1.26 -1.54 115.64 120.89 1s3r s THR 156 Ca 0.04 0.90 0.10 0.00 0.31 0.00 0.00 61.69 63.04 1s3r s THR 156 Cb -0.13 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1s3r s THR 156 CO -0.09 0.16 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.11 1s3r s ILE 157 N 1.82 2.15 -0.05 1.82 1.01 -0.29 -1.88 121.20 125.78 1s3r s ILE 157 Ca 0.22 -1.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.10 1s3r s ILE 157 Cb -0.15 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.43 1s3r s ILE 157 CO 0.09 0.03 0.09 -0.55 0.00 0.00 0.00 174.94 174.60 1s3r s SER 158 N -2.11 0.73 -0.12 3.58 0.15 -0.34 -1.11 113.70 114.47 1s3r s SER 158 Ca 0.13 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 1s3r s SER 158 Cb -0.10 0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1s3r s SER 158 CO 0.06 -0.22 -0.01 -0.69 1.20 0.00 0.00 173.24 173.58 1s3r s VAL 159 N 1.91 4.14 -0.42 4.45 1.01 -0.51 -0.96 120.40 130.02 1s3r s VAL 159 Ca 0.01 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1s3r s VAL 159 Cb -0.12 -2.78 0.54 0.00 0.00 0.00 0.00 36.38 34.02 1s3r s VAL 159 CO -0.04 0.54 1.83 -0.46 0.00 0.00 0.00 175.10 176.98 1s3r n ASN 160 N 2.87 4.33 -4.77 3.32 0.23 -1.09 -4.77 115.26 115.38 1s3r n ASN 160 Ca -0.18 -3.42 -0.39 0.00 -0.53 0.00 0.00 54.58 50.06 1s3r n ASN 160 Cb 0.53 -0.83 -0.01 0.00 -2.08 0.00 0.00 39.78 37.39 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 -2.91 4.26 0.51 -4.53 1.43 -1.26 -4.90 118.68 111.28 1s3r s LEU 161 Ca 0.50 2.58 -0.18 0.00 -1.03 0.00 0.00 54.13 56.00 1s3r s LEU 161 Cb 0.42 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1s3r s LEU 161 CO 0.08 -0.74 1.01 -2.16 0.23 0.00 0.00 176.35 174.77 1s3r s PRO 162 N -2.15 3.82 0.00 1.29 0.04 -1.26 -3.77 135.00 132.97 1s3r s PRO 162 Ca 0.55 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1s3r s PRO 162 Cb -0.37 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1s3r s PRO 162 CO 0.47 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1s3r n GLY 163 N -0.82 2.89 3.72 0.56 0.00 -1.26 -4.96 105.19 105.32 1s3r n GLY 163 Ca 0.08 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 4.37 0.20 0.99 1.43 -1.25 -4.99 118.68 119.44 1s3r s LEU 164 Ca 0.00 2.71 -0.05 0.00 -1.03 0.00 0.00 54.13 55.76 1s3r s LEU 164 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.59 1s3r s LEU 164 CO 0.00 -0.87 0.24 -1.59 0.23 0.00 0.00 176.35 174.36 1s3r s LYS 165 N 0.99 1.26 6.42 1.70 -2.85 -1.26 -4.83 119.74 121.17 1s3r s LYS 165 Ca 0.71 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1s3r s LYS 165 Cb -0.46 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.65 1s3r s LYS 165 CO 0.33 -0.45 0.00 0.09 0.10 0.00 0.00 175.35 175.42 1s3r n ASN 166 N -0.27 0.00 -1.93 0.03 5.03 -1.26 -2.45 115.26 114.41 1s3r n ASN 166 Ca -0.01 0.00 -0.07 0.00 0.87 0.00 0.00 54.58 55.37 1s3r n ASN 166 Cb 0.64 0.00 0.27 0.00 -1.02 0.00 0.00 39.78 39.67 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 3.52 0.22 7.41 0.00 -1.26 -4.56 105.19 110.52 1s3r n GLY 167 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 2.29 0.00 -0.01 1.61 5.08 -1.85 -2.81 114.58 118.90 1s3r h GLU 168 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1s3r h GLU 168 Cb 2.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.50 1s3r h GLU 168 CO 0.71 0.27 -0.15 -1.13 -1.00 0.00 0.00 179.01 177.71 1s3r n SER 169 N -3.79 0.85 -4.32 1.42 3.41 -1.26 -4.88 113.62 105.04 1s3r n SER 169 Ca -0.01 -0.87 -0.31 0.00 -0.26 0.00 0.00 58.87 57.41 1s3r n SER 169 Cb 0.37 0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.39 3.21 0.12 4.04 0.01 -1.06 -1.42 114.94 117.45 1s3r s ASN 170 Ca 0.29 -0.44 0.08 0.00 -0.71 0.00 0.00 52.86 52.07 1s3r s ASN 170 Cb 0.20 -0.61 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 1s3r s ASN 170 CO 0.47 0.29 -0.18 -0.76 -1.51 0.00 0.00 177.10 175.41 1s3r s LEU 171 N -0.45 2.36 -0.09 0.60 1.43 -0.27 -5.00 118.68 117.26 1s3r s LEU 171 Ca 0.05 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1s3r s LEU 171 Cb -0.12 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.35 1s3r s LEU 171 CO 0.01 -0.02 -0.07 -0.89 0.23 0.00 0.00 176.35 175.61 1s3r s THR 172 N -1.63 0.89 -0.16 5.49 2.01 -1.26 -1.13 115.64 119.85 1s3r s THR 172 Ca 0.09 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 1s3r s THR 172 Cb -0.08 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1s3r s THR 172 CO 0.05 0.33 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.54 1s3r s VAL 173 N 1.51 3.38 -0.00 3.82 1.01 -0.59 -4.94 120.40 124.59 1s3r s VAL 173 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1s3r s VAL 173 Cb -0.13 -2.47 -0.14 0.00 0.00 0.00 0.00 36.38 33.64 1s3r s VAL 173 CO -0.05 0.49 1.03 -0.08 0.00 0.00 0.00 175.10 176.49 1s3r h GLU 174 N 7.05 -0.62 -2.36 2.72 4.57 -1.93 -1.84 114.58 122.17 1s3r h GLU 174 Ca -0.31 0.04 -0.60 0.00 -1.18 0.00 0.00 59.36 57.31 1s3r h GLU 174 Cb 1.19 0.14 -0.42 0.00 -0.16 0.00 0.00 28.75 29.51 1s3r h GLU 174 CO 0.59 -0.33 -0.61 0.09 -1.18 0.00 0.00 179.01 177.57 1s3r n ASN 175 N -5.23 3.48 -4.57 1.04 3.02 -1.26 -3.67 115.26 108.06 1s3r n ASN 175 Ca -0.10 -3.37 -0.56 0.00 -0.03 0.00 0.00 54.58 50.52 1s3r n ASN 175 Cb 0.30 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.71 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 1.09 0.64 -3.94 3.52 -0.04 -1.26 -4.83 135.00 130.18 1s3r n PRO 176 Ca 0.28 0.23 -0.09 0.00 -0.04 0.00 0.00 63.50 63.88 1s3r n PRO 176 Cb 0.40 -1.81 -0.08 0.00 -0.04 0.00 0.00 33.50 31.97 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 0.64 0.13 0.52 3.54 1.04 -1.26 -4.85 113.70 113.46 1s3r s SER 177 Ca 0.89 -0.82 0.27 0.00 0.48 0.00 0.00 55.95 56.78 1s3r s SER 177 Cb -1.11 0.36 1.40 0.00 0.10 0.00 0.00 66.02 66.76 1s3r s SER 177 CO 0.54 -0.78 1.92 -1.13 0.98 0.00 0.00 173.24 174.77 1s3r h ASN 178 N 2.71 0.06 0.15 7.02 -1.24 -1.93 -1.97 115.58 120.39 1s3r h ASN 178 Ca -0.33 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.68 1s3r h ASN 178 Cb 1.21 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.25 1s3r h ASN 178 CO 0.54 0.03 -0.07 0.28 -1.29 0.00 0.00 177.43 176.92 1s3r h SER 179 N 0.06 -0.17 -0.43 1.15 0.02 -1.95 -2.89 113.55 109.35 1s3r h SER 179 Ca 0.38 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1s3r h SER 179 Cb 1.41 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.93 1s3r h SER 179 CO -0.03 0.40 0.05 0.71 -1.14 0.00 0.00 176.83 176.82 1s3r h THR 180 N -0.98 0.73 -0.33 -2.27 1.35 -1.83 -2.25 112.91 107.34 1s3r h THR 180 Ca -0.02 -0.06 -0.07 0.00 -0.55 0.00 0.00 66.41 65.71 1s3r h THR 180 Cb 0.41 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1s3r h THR 180 CO 0.03 0.03 -0.06 0.58 -0.25 0.00 0.00 175.52 175.85 1s3r h VAL 181 N 0.17 1.28 -0.50 6.82 2.07 -1.49 -1.48 116.25 123.11 1s3r h VAL 181 Ca 0.21 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 1s3r h VAL 181 Cb 0.28 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1s3r h VAL 181 CO -0.31 0.36 0.12 0.03 0.02 0.00 0.00 177.57 177.79 1s3r h ARG 182 N 0.40 0.77 -0.30 1.57 3.08 -1.49 -0.78 114.38 117.63 1s3r h ARG 182 Ca 0.08 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1s3r h ARG 182 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1s3r h ARG 182 CO 0.03 0.70 0.05 1.15 -1.07 0.00 0.00 179.97 180.82 1s3r h THR 183 N 0.74 1.24 -0.35 2.04 2.02 -1.14 -0.55 112.91 116.91 1s3r h THR 183 Ca 0.17 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 1s3r h THR 183 Cb 0.28 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1s3r h THR 183 CO -0.00 0.27 -0.06 0.00 0.37 0.00 0.00 175.52 176.09 1s3r h ALA 184 N 0.88 0.48 -0.16 6.16 0.00 -1.12 0.85 119.26 126.35 1s3r h ALA 184 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1s3r h ALA 184 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1s3r h ALA 184 CO 0.01 0.31 0.06 0.28 0.00 0.00 0.00 179.25 179.91 1s3r h VAL 185 N 0.46 1.16 -0.31 0.00 2.07 -1.07 -1.48 116.25 117.08 1s3r h VAL 185 Ca 0.09 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1s3r h VAL 185 Cb 0.56 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1s3r h VAL 185 CO 0.03 0.15 -0.24 0.78 0.02 0.00 0.00 177.57 178.31 1s3r h ASN 186 N 0.10 0.62 -0.19 0.57 2.35 -0.98 -1.65 115.58 116.39 1s3r h ASN 186 Ca 0.05 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 1s3r h ASN 186 Cb 0.18 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1s3r h ASN 186 CO -0.00 0.85 -0.02 -1.13 -1.65 0.00 0.00 177.43 175.47 1s3r h ASN 187 N 0.54 0.46 -0.48 5.81 -1.24 -0.66 0.36 115.58 120.36 1s3r h ASN 187 Ca 0.08 -0.09 -0.10 0.00 0.71 0.00 0.00 56.30 56.90 1s3r h ASN 187 Cb 0.70 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.61 1s3r h ASN 187 CO 0.05 0.54 -0.06 0.25 -1.29 0.00 0.00 177.43 176.93 1s3r h LEU 188 N 0.47 0.93 -0.87 0.34 6.46 -0.76 -2.00 115.31 119.87 1s3r h LEU 188 Ca 0.10 -0.27 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 1s3r h LEU 188 Cb 0.34 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1s3r h LEU 188 CO 0.01 1.02 -0.38 0.58 -0.62 0.00 0.00 178.44 179.05 1s3r h VAL 189 N 0.85 0.88 0.01 1.05 2.07 -0.36 -1.25 116.25 119.51 1s3r h VAL 189 Ca 0.15 -1.57 -0.24 0.00 0.82 0.00 0.00 66.70 65.85 1s3r h VAL 189 Cb 0.59 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1s3r h VAL 189 CO 0.04 0.38 -1.00 -0.33 0.02 0.00 0.00 177.57 176.68 1s3r h GLU 190 N 0.00 0.50 -0.15 1.57 5.08 -0.12 -2.30 114.58 119.16 1s3r h GLU 190 Ca -0.00 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1s3r h GLU 190 Cb 0.93 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1s3r h GLU 190 CO 0.05 1.19 0.03 0.87 -1.00 0.00 0.00 179.01 180.15 1s3r h LYS 191 N 0.27 0.25 -0.84 2.33 1.57 -1.29 -2.78 116.57 116.09 1s3r h LYS 191 Ca -0.10 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1s3r h LYS 191 Cb 1.64 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.87 1s3r h LYS 191 CO 0.18 0.42 0.55 2.35 -0.57 0.00 0.00 179.45 182.37 1s3r h TRP 192 N 0.04 0.98 0.37 -1.35 7.01 -1.17 -2.33 115.95 119.49 1s3r h TRP 192 Ca 0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1s3r h TRP 192 Cb 0.28 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.02 1s3r h TRP 192 CO 0.01 0.55 -0.18 0.82 -2.79 0.00 0.00 178.44 176.85 1s3r h ILE 193 N 0.99 0.64 -1.00 2.65 2.04 -1.34 0.25 117.51 121.74 1s3r h ILE 193 Ca 0.34 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.98 1s3r h ILE 193 Cb 0.11 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1s3r h ILE 193 CO -0.11 0.06 0.64 -0.61 0.00 0.00 0.00 178.15 178.13 1s3r h GLN 194 N -0.68 1.08 0.00 2.37 4.15 -1.20 -2.68 115.11 118.14 1s3r h GLN 194 Ca -0.05 -0.06 -0.29 0.00 0.77 0.00 0.00 58.65 59.01 1s3r h GLN 194 Cb 0.48 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 1s3r h GLN 194 CO 0.08 0.71 -1.59 -1.71 -1.93 0.00 0.00 178.83 174.40 1s3r n ASN 195 N -4.53 1.88 -0.02 -0.69 2.85 -0.90 -4.76 115.26 109.09 1s3r n ASN 195 Ca 0.16 0.40 0.04 0.00 -0.11 0.00 0.00 54.58 55.08 1s3r n ASN 195 Cb 0.24 -0.93 -0.11 0.00 1.24 0.00 0.00 39.78 40.22 1s3r n ASN 195 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1s3r n TYR 196 N -4.39 0.00 -0.22 1.20 4.02 0.82 -4.69 117.16 113.91 1s3r n TYR 196 Ca -0.38 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.49 1s3r n TYR 196 Cb 0.73 -0.38 0.08 0.00 -0.02 0.00 0.00 39.34 39.75 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 0.53 0.14 7.72 4.64 -1.07 0.38 113.55 125.89 1s3r h SER 197 Ca -0.07 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1s3r h SER 197 Cb 0.87 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1s3r h SER 197 CO 0.00 0.35 -0.06 0.11 -0.87 0.00 0.00 176.83 176.37 1s3r h LYS 198 N 0.66 0.00 0.00 4.77 1.57 -1.84 -3.22 116.57 118.51 1s3r h LYS 198 Ca 0.28 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1s3r h LYS 198 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1s3r h LYS 198 CO -0.16 0.06 -1.71 0.25 -0.57 0.00 0.00 179.45 177.31 1s3r n THR 199 N -3.89 0.32 -4.46 -0.16 -2.24 -0.54 -4.97 114.28 98.34 1s3r n THR 199 Ca -0.03 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 1s3r n THR 199 Cb 0.15 -0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.71 2.76 0.29 4.78 3.76 0.12 -5.12 115.29 119.17 1s3r s HIS 200 Ca -0.05 -1.23 -0.14 0.00 -0.15 0.00 0.00 55.06 53.48 1s3r s HIS 200 Cb 0.07 -1.88 -0.08 0.00 1.11 0.00 0.00 32.58 31.79 1s3r s HIS 200 CO 0.55 -0.58 0.68 0.00 -0.85 0.00 0.00 174.74 174.54 1s3r s ALA 201 N 0.94 3.39 -0.43 -1.40 0.00 -1.26 -4.59 121.76 118.41 1s3r s ALA 201 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1s3r s ALA 201 Cb -0.15 -2.68 0.13 0.00 0.00 0.00 0.00 23.12 20.42 1s3r s ALA 201 CO -0.03 0.38 0.23 0.08 0.00 0.00 0.00 175.76 176.41 1s3r s VAL 202 N -1.92 1.39 0.06 0.00 1.01 -1.26 -4.93 120.40 114.74 1s3r s VAL 202 Ca 0.52 -2.48 -0.26 0.00 0.00 0.00 0.00 61.98 59.77 1s3r s VAL 202 Cb -0.11 -1.98 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 1s3r s VAL 202 CO 0.18 -0.87 0.79 -2.16 0.00 0.00 0.00 175.10 173.04 1s3r s PRO 203 N 0.45 4.52 0.45 2.72 0.04 -1.26 -0.27 135.00 141.65 1s3r s PRO 203 Ca 0.17 1.12 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 1s3r s PRO 203 Cb -0.24 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 1s3r s PRO 203 CO -0.01 0.28 1.01 0.00 0.04 0.00 0.00 177.00 178.31 1s3r n ALA 204 N 2.78 0.23 -2.63 8.56 0.00 0.30 -4.85 120.51 124.89 1s3r n ALA 204 Ca -0.02 0.19 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1s3r n ALA 204 Cb 0.50 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 1s3r n ALA 204 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1s3r s ARG 205 N -2.14 4.03 -0.33 0.00 0.52 -0.32 -4.86 118.95 115.84 1s3r s ARG 205 Ca 0.65 -0.21 -0.13 0.00 -0.52 0.00 0.00 55.73 55.52 1s3r s ARG 205 Cb -0.53 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.32 1s3r s ARG 205 CO 0.55 -0.08 0.25 1.41 0.02 0.00 0.00 175.30 177.44 1s3r s MET 206 N 1.48 3.55 -0.10 3.54 -2.45 -1.26 -0.79 119.30 123.27 1s3r s MET 206 Ca 0.09 -0.59 -0.17 0.00 -1.25 0.00 0.00 55.69 53.77 1s3r s MET 206 Cb -0.15 -3.79 -0.05 0.00 1.25 0.00 0.00 34.83 32.09 1s3r s MET 206 CO 0.08 -0.42 0.43 -1.14 1.05 0.00 0.00 175.02 175.01 1s3r s GLN 207 N 1.75 4.22 -0.07 4.11 0.74 0.80 -4.96 119.66 126.25 1s3r s GLN 207 Ca 0.07 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.84 1s3r s GLN 207 Cb -0.17 -3.38 0.03 0.00 1.10 0.00 0.00 33.01 30.58 1s3r s GLN 207 CO 0.11 0.30 -0.01 -0.47 -0.55 0.00 0.00 175.29 174.67 1s3r s TYR 208 N 0.17 0.75 0.02 1.67 5.04 -1.26 -0.80 117.35 122.95 1s3r s TYR 208 Ca 0.24 -0.23 0.05 0.00 -2.44 0.00 0.00 57.07 54.69 1s3r s TYR 208 Cb -0.15 -0.84 -0.02 0.00 0.35 0.00 0.00 41.96 41.31 1s3r s TYR 208 CO 0.10 -0.34 -0.14 -1.21 -1.34 0.00 0.00 175.55 172.61 1s3r s GLU 209 N 1.89 1.05 0.05 4.97 0.41 -0.73 -5.00 118.70 121.34 1s3r s GLU 209 Ca 0.04 -0.65 -0.08 0.00 -0.41 0.00 0.00 54.97 53.87 1s3r s GLU 209 Cb -0.12 -1.04 -0.00 0.00 -1.78 0.00 0.00 34.13 31.18 1s3r s GLU 209 CO -0.05 0.27 0.17 0.45 -0.49 0.00 0.00 175.26 175.61 1s3r s SER 210 N -0.78 0.08 0.16 -0.19 0.15 -1.26 0.61 113.70 112.47 1s3r s SER 210 Ca 0.04 -0.45 -0.18 0.00 0.70 0.00 0.00 55.95 56.05 1s3r s SER 210 Cb -0.07 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1s3r s SER 210 CO 0.00 -0.58 0.49 -0.51 1.20 0.00 0.00 173.24 173.85 1s3r s ILE 211 N -2.81 0.04 -0.27 6.45 2.07 0.94 -4.97 121.20 122.64 1s3r s ILE 211 Ca -0.03 -0.53 -0.28 0.00 -1.41 0.00 0.00 60.65 58.40 1s3r s ILE 211 Cb 0.00 -1.28 0.01 0.00 0.13 0.00 0.00 42.46 41.32 1s3r s ILE 211 CO -0.05 -0.18 0.99 -0.55 -1.91 0.00 0.00 174.94 173.24 1s3r s SER 212 N -2.82 6.94 -0.14 4.50 0.15 -1.26 -0.66 113.70 120.41 1s3r s SER 212 Ca 0.05 1.11 -0.29 0.00 0.70 0.00 0.00 55.95 57.52 1s3r s SER 212 Cb 0.00 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1s3r s SER 212 CO -0.09 -0.72 1.91 0.00 1.20 0.00 0.00 173.24 175.54 1s3r s ALA 213 N 3.28 3.20 -0.00 5.45 0.00 0.04 -4.79 121.76 128.94 1s3r s ALA 213 Ca 0.42 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1s3r s ALA 213 Cb -0.14 -3.92 -0.00 0.00 0.00 0.00 0.00 23.12 19.06 1s3r s ALA 213 CO 0.10 -2.10 -0.00 1.04 0.00 0.00 0.00 175.76 174.81 1s3r n GLN 214 N 7.96 1.34 -3.60 0.00 1.13 -1.26 -4.65 117.38 118.30 1s3r n GLN 214 Ca 0.22 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.14 1s3r n GLN 214 Cb 0.44 -1.00 -0.07 0.00 0.11 0.00 0.00 30.24 29.72 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 -3.68 -0.70 0.30 1.08 0.15 -1.26 -4.90 113.70 104.68 1s3r s SER 215 Ca -0.00 1.21 0.02 0.00 0.70 0.00 0.00 55.95 57.88 1s3r s SER 215 Cb 0.00 1.17 0.59 0.00 -1.71 0.00 0.00 66.02 66.07 1s3r s SER 215 CO 0.01 -0.34 1.85 -0.03 1.20 0.00 0.00 173.24 175.93 1s3r h MET 216 N 4.38 0.93 -0.22 5.44 4.05 -1.99 -1.90 114.93 125.62 1s3r h MET 216 Ca -0.28 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 58.98 1s3r h MET 216 Cb 1.16 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.73 1s3r h MET 216 CO 0.15 0.61 -0.32 1.03 0.23 0.00 0.00 176.91 178.61 1s3r h SER 217 N 0.95 0.46 0.48 1.39 0.87 -1.96 -2.07 113.55 113.67 1s3r h SER 217 Ca 0.47 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.74 1s3r h SER 217 Cb 0.48 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1s3r h SER 217 CO -0.23 0.76 -0.54 0.06 -0.53 0.00 0.00 176.83 176.35 1s3r h GLN 218 N 0.39 0.07 -0.12 2.24 3.07 -1.76 -2.79 115.11 116.21 1s3r h GLN 218 Ca 0.05 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.57 1s3r h GLN 218 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.31 1s3r h GLN 218 CO 0.06 0.59 -0.66 -0.07 0.09 0.00 0.00 178.83 178.84 1s3r h LEU 219 N 0.05 0.54 -1.19 0.06 3.38 -1.02 -2.71 115.31 114.42 1s3r h LEU 219 Ca -0.00 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1s3r h LEU 219 Cb 0.97 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1s3r h LEU 219 CO 0.07 1.05 -0.36 1.56 0.09 0.00 0.00 178.44 180.85 1s3r h GLN 220 N 0.34 0.00 -0.31 1.13 4.20 -1.34 0.27 115.11 119.40 1s3r h GLN 220 Ca -0.02 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.51 1s3r h GLN 220 Cb 1.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1s3r h GLN 220 CO 0.12 0.36 -0.52 0.00 -0.67 0.00 0.00 178.83 178.12 1s3r h ALA 221 N 1.64 0.48 0.09 3.87 0.00 -1.22 0.50 119.26 124.62 1s3r h ALA 221 Ca -0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 1s3r h ALA 221 Cb 0.74 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.47 1s3r h ALA 221 CO 0.05 0.68 -0.81 -0.22 0.00 0.00 0.00 179.25 178.94 1s3r h LYS 222 N 0.69 0.38 -0.00 0.00 1.63 -1.17 -3.38 116.57 114.72 1s3r h LYS 222 Ca 0.02 -0.54 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 1s3r h LYS 222 Cb 1.13 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1s3r h LYS 222 CO 0.12 1.22 -0.76 1.19 -3.45 0.00 0.00 179.45 177.76 1s3r n PHE 223 N -4.11 0.00 0.00 1.91 3.01 0.92 -5.01 117.46 114.18 1s3r n PHE 223 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1s3r n PHE 223 Cb 0.80 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 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 1.38 2.73 0.34 1.37 0.00 0.16 -4.59 105.19 106.59 1s3r n GLY 224 Ca 0.04 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 1.85 -0.68 4.61 0.00 -1.79 0.34 119.26 123.59 1s3r h ALA 225 Ca 0.00 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.10 1s3r h ALA 225 Cb 0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.53 1s3r h ALA 225 CO 0.00 0.05 0.09 -0.25 0.00 0.00 0.00 179.25 179.14 1s3r n ASP 226 N -4.48 -0.01 -0.23 0.00 9.92 -1.25 -3.09 116.55 117.41 1s3r n ASP 226 Ca 0.09 1.14 0.16 0.00 -0.53 0.00 0.00 54.79 55.65 1s3r n ASP 226 Cb 0.26 -0.45 0.46 0.00 -0.64 0.00 0.00 41.12 40.76 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 0.63 -0.86 1.24 3.57 -0.56 -1.04 116.94 119.92 1s3r h PHE 227 Ca 0.45 0.02 0.16 0.00 3.53 0.00 0.00 57.97 62.13 1s3r h PHE 227 Cb 1.00 -0.19 -0.16 0.00 2.79 0.00 0.00 35.95 39.38 1s3r h PHE 227 CO -0.27 0.20 -0.27 0.66 -2.23 0.00 0.00 178.31 176.40 1s3r h SER 228 N 0.51 -1.00 0.00 0.41 4.64 -1.75 0.99 113.55 117.35 1s3r h SER 228 Ca 0.44 0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 62.00 1s3r h SER 228 Cb 0.94 0.59 -0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1s3r h SER 228 CO -0.18 -0.29 -0.18 0.11 -0.87 0.00 0.00 176.83 175.42 1s3r h LYS 229 N -0.02 0.00 -0.64 4.77 1.57 -1.46 -3.05 116.57 117.73 1s3r h LYS 229 Ca 0.38 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.26 1s3r h LYS 229 Cb 0.62 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 1s3r h LYS 229 CO -0.89 0.53 0.23 0.28 -0.57 0.00 0.00 179.45 179.04 1s3r h VAL 230 N -1.00 0.73 0.00 0.50 2.07 -1.40 -1.78 116.25 115.37 1s3r h VAL 230 Ca -0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1s3r h VAL 230 Cb 0.61 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1s3r h VAL 230 CO -0.02 0.07 -0.06 0.61 0.02 0.00 0.00 177.57 178.20 1s3r n GLY 231 N -1.30 -1.65 0.28 2.17 0.00 0.34 -4.34 105.19 100.68 1s3r n GLY 231 Ca 0.10 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 2.59 0.93 0.00 4.61 0.00 -1.20 0.26 119.26 126.45 1s3r h ALA 232 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1s3r h ALA 232 Cb 0.70 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1s3r h ALA 232 CO 0.00 -0.41 0.35 -1.35 0.00 0.00 0.00 179.25 177.84 1s3r h PRO 233 N 0.17 0.00 0.00 0.00 0.11 -1.76 -0.25 132.00 130.28 1s3r h PRO 233 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1s3r h PRO 233 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1s3r h PRO 233 CO -0.61 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.46 1s3r n LEU 234 N -2.39 0.15 -2.10 2.35 4.77 0.92 -4.99 117.00 115.72 1s3r n LEU 234 Ca -0.01 0.52 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 1s3r n LEU 234 Cb 0.38 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1s3r n LEU 234 CO 0.08 -0.07 -0.18 0.59 -1.33 0.00 0.00 177.39 176.48 1s3r n ASN 235 N -1.65 -2.90 -4.64 -1.43 4.13 -0.11 -4.86 115.26 103.81 1s3r n ASN 235 Ca 0.06 0.02 -0.43 0.00 1.68 0.00 0.00 54.58 55.91 1s3r n ASN 235 Cb 0.33 -0.78 -0.02 0.00 -1.54 0.00 0.00 39.78 37.77 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 -0.64 4.31 -0.69 2.41 1.01 -1.26 -4.98 120.40 120.56 1s3r s VAL 236 Ca 0.12 1.53 -0.25 0.00 0.00 0.00 0.00 61.98 63.38 1s3r s VAL 236 Cb -0.01 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1s3r s VAL 236 CO 0.28 -0.37 1.15 -0.62 0.00 0.00 0.00 175.10 175.54 1s3r s ASP 237 N 2.17 6.19 0.24 3.32 2.15 -1.26 -4.89 116.67 124.59 1s3r s ASP 237 Ca 0.52 -0.59 0.10 0.00 0.43 0.00 0.00 52.55 53.02 1s3r s ASP 237 Cb -0.17 -2.50 0.21 0.00 -0.30 0.00 0.00 42.92 40.16 1s3r s ASP 237 CO 0.18 -1.65 1.52 -0.26 -0.17 0.00 0.00 175.17 174.79 1s3r h PHE 238 N 9.80 0.00 -0.56 -5.34 -1.00 -1.96 -2.92 116.94 114.96 1s3r h PHE 238 Ca -0.28 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1s3r h PHE 238 Cb 1.06 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.59 1s3r h PHE 238 CO 1.06 0.70 0.37 0.77 -1.61 0.00 0.00 178.31 179.59 1s3r h SER 239 N 0.00 0.65 -0.69 2.17 0.02 -1.97 -1.93 113.55 111.79 1s3r h SER 239 Ca -0.01 -0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.12 1s3r h SER 239 Cb 1.29 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 1s3r h SER 239 CO 0.09 0.48 0.55 0.28 -1.14 0.00 0.00 176.83 177.08 1s3r h SER 240 N 0.76 0.00 0.17 3.07 0.02 -1.90 0.92 113.55 116.59 1s3r h SER 240 Ca 0.21 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.93 1s3r h SER 240 Cb -0.08 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.48 1s3r h SER 240 CO -0.04 0.00 -1.01 0.58 -1.14 0.00 0.00 176.83 175.21 1s3r h VAL 241 N 0.00 1.42 -0.22 2.27 2.07 -1.48 -1.38 116.25 118.93 1s3r h VAL 241 Ca 0.33 -2.57 -0.16 0.00 0.82 0.00 0.00 66.70 65.12 1s3r h VAL 241 Cb 1.42 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 34.32 1s3r h VAL 241 CO -0.00 0.74 -0.52 0.45 0.02 0.00 0.00 177.57 178.25 1s3r h HIS 242 N -0.25 0.78 0.00 1.57 3.86 -0.24 -2.13 115.15 118.74 1s3r h HIS 242 Ca -0.18 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1s3r h HIS 242 Cb 1.78 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 30.09 1s3r h HIS 242 CO 0.18 1.02 0.00 1.63 0.86 0.00 0.00 177.93 181.62 1s3r n LYS 243 N -3.98 0.02 -0.83 2.45 5.02 0.30 -4.89 118.16 116.25 1s3r n LYS 243 Ca -0.03 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1s3r n LYS 243 Cb 0.60 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 -0.26 0.65 0.04 0.72 0.00 -0.80 -4.95 105.19 100.60 1s3r n GLY 244 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s3r n GLY 244 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1s3r h GLU 245 N 1.89 0.00 -6.68 1.61 4.11 -1.64 -3.47 114.58 110.40 1s3r h GLU 245 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1s3r h GLU 245 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1s3r h GLU 245 CO 0.00 0.00 -0.08 0.15 0.07 0.00 0.00 179.01 179.15 1s3r s LYS 246 N -1.47 3.50 -0.29 1.06 1.02 -0.57 -4.65 119.74 118.34 1s3r s LYS 246 Ca -0.00 -0.13 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1s3r s LYS 246 Cb 0.00 -2.55 0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1s3r s LYS 246 CO 0.00 0.01 0.01 -1.14 -0.92 0.00 0.00 175.35 173.31 1s3r s GLN 247 N -4.48 1.47 0.02 1.68 0.74 -0.30 -4.27 119.66 114.53 1s3r s GLN 247 Ca 0.43 -1.38 -0.08 0.00 0.05 0.00 0.00 55.36 54.38 1s3r s GLN 247 Cb -0.10 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.22 1s3r s GLN 247 CO 0.39 -0.80 0.30 0.08 -0.55 0.00 0.00 175.29 174.72 1s3r s VAL 248 N 1.22 5.24 0.13 1.34 1.01 -1.26 -2.70 120.40 125.38 1s3r s VAL 248 Ca 0.03 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.33 1s3r s VAL 248 Cb -0.19 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1s3r s VAL 248 CO -0.10 0.36 -0.13 -0.36 0.00 0.00 0.00 175.10 174.87 1s3r s PHE 249 N -1.31 1.37 -0.04 5.22 0.40 -0.60 -0.78 117.98 122.24 1s3r s PHE 249 Ca 0.28 -0.61 0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1s3r s PHE 249 Cb -0.13 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.72 1s3r s PHE 249 CO 0.16 0.14 -0.03 0.42 0.70 0.00 0.00 175.22 176.62 1s3r s ILE 250 N -2.52 0.38 -0.01 0.64 -1.09 0.17 -1.09 121.20 117.67 1s3r s ILE 250 Ca 0.12 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.55 1s3r s ILE 250 Cb -0.03 -0.43 -0.01 0.00 -1.58 0.00 0.00 42.46 40.41 1s3r s ILE 250 CO 0.03 0.18 -0.18 0.00 -1.23 0.00 0.00 174.94 173.74 1s3r s ALA 251 N 0.90 1.49 -0.23 9.38 0.00 -0.12 -0.04 121.76 133.14 1s3r s ALA 251 Ca -0.11 -0.79 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 1s3r s ALA 251 Cb -0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1s3r s ALA 251 CO -0.01 0.36 0.05 1.21 0.00 0.00 0.00 175.76 177.38 1s3r s ASN 252 N -0.48 5.09 -0.20 0.00 3.84 0.20 -1.50 114.94 121.89 1s3r s ASN 252 Ca 0.07 -0.18 -0.04 0.00 0.21 0.00 0.00 52.86 52.91 1s3r s ASN 252 Cb -0.07 -1.90 -0.02 0.00 -0.55 0.00 0.00 41.25 38.71 1s3r s ASN 252 CO -0.00 0.01 -0.02 -0.36 -2.79 0.00 0.00 177.10 173.94 1s3r s PHE 253 N 1.32 3.00 -0.30 0.43 0.40 -0.30 -1.77 117.98 120.77 1s3r s PHE 253 Ca 0.05 -0.58 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1s3r s PHE 253 Cb -0.15 -2.07 0.08 0.00 0.51 0.00 0.00 43.02 41.39 1s3r s PHE 253 CO 0.03 -0.31 -0.03 1.03 0.70 0.00 0.00 175.22 176.64 1s3r s ARG 254 N 1.06 1.93 -0.45 0.44 0.52 0.02 -0.91 118.95 121.57 1s3r s ARG 254 Ca 0.02 -1.58 -0.17 0.00 -0.52 0.00 0.00 55.73 53.48 1s3r s ARG 254 Cb -0.14 -3.06 0.04 0.00 0.52 0.00 0.00 34.95 32.30 1s3r s ARG 254 CO 0.01 -0.74 0.47 -0.65 0.02 0.00 0.00 175.30 174.42 1s3r s GLN 255 N 1.03 3.09 -0.28 3.54 -0.21 0.06 -0.14 119.66 126.74 1s3r s GLN 255 Ca -0.00 -0.86 -0.10 0.00 0.02 0.00 0.00 55.36 54.42 1s3r s GLN 255 Cb -0.20 -4.02 -0.03 0.00 1.00 0.00 0.00 33.01 29.77 1s3r s GLN 255 CO -0.06 -0.95 0.15 0.08 -2.12 0.00 0.00 175.29 172.39 1s3r s VAL 256 N 2.19 4.89 -0.16 1.09 1.01 0.03 -1.84 120.40 127.60 1s3r s VAL 256 Ca 0.12 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1s3r s VAL 256 Cb -0.18 -3.37 -0.23 0.00 0.00 0.00 0.00 36.38 32.59 1s3r s VAL 256 CO 0.12 0.21 0.29 -1.22 0.00 0.00 0.00 175.10 174.50 1s3r n TYR 257 N 5.01 1.13 -3.63 5.22 0.53 0.04 -1.18 117.16 124.29 1s3r n TYR 257 Ca -0.14 0.32 -0.13 0.00 -1.02 0.00 0.00 57.90 56.93 1s3r n TYR 257 Cb 0.51 -1.14 -0.06 0.00 -1.03 0.00 0.00 39.34 37.63 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 -2.49 -0.32 -0.01 -0.72 -0.85 -1.16 -4.91 117.35 106.89 1s3r s TYR 258 Ca -0.25 0.30 0.07 0.00 -0.52 0.00 0.00 57.07 56.67 1s3r s TYR 258 Cb 0.07 0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 1s3r s TYR 258 CO 0.70 -0.60 -0.22 0.99 -1.52 0.00 0.00 175.55 174.89 1s3r s THR 259 N -2.52 1.77 -0.52 -3.49 2.01 -1.26 0.56 115.64 112.19 1s3r s THR 259 Ca -0.05 -1.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.85 1s3r s THR 259 Cb -0.01 -1.48 0.13 0.00 0.01 0.00 0.00 72.50 71.15 1s3r s THR 259 CO -0.03 0.46 0.41 0.00 -0.69 0.00 0.00 174.62 174.78 1s3r s ALA 260 N -0.56 3.49 -0.19 7.40 0.00 -0.32 -2.68 121.76 128.90 1s3r s ALA 260 Ca 0.09 -2.67 -0.12 0.00 0.00 0.00 0.00 51.96 49.26 1s3r s ALA 260 Cb -0.09 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1s3r s ALA 260 CO -0.00 -1.97 0.20 -1.54 0.00 0.00 0.00 175.76 172.45 1s3r s SER 261 N 2.57 6.29 -0.05 0.00 1.04 -0.13 -1.79 113.70 121.62 1s3r s SER 261 Ca 0.07 0.33 -0.27 0.00 0.48 0.00 0.00 55.95 56.56 1s3r s SER 261 Cb -0.25 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1s3r s SER 261 CO -0.01 0.13 0.86 0.54 0.98 0.00 0.00 173.24 175.74 1s3r s VAL 262 N 0.51 4.93 0.22 5.02 0.11 0.54 -1.20 120.40 130.53 1s3r s VAL 262 Ca 0.11 1.79 -0.32 0.00 -2.93 0.00 0.00 61.98 60.63 1s3r s VAL 262 Cb -0.12 -4.20 -0.13 0.00 -1.53 0.00 0.00 36.38 30.41 1s3r s VAL 262 CO 0.01 0.17 1.61 0.47 -3.33 0.00 0.00 175.10 174.03 1s3r n ASP 263 N 4.08 3.55 -4.71 3.54 8.00 -0.79 -4.91 116.55 125.31 1s3r n ASP 263 Ca 0.03 1.10 -0.42 0.00 0.71 0.00 0.00 54.79 56.21 1s3r n ASP 263 Cb 0.51 -1.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.06 1s3r n ASP 263 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s3r s SER 264 N 0.80 6.50 0.68 -2.24 1.04 -1.26 -4.80 113.70 114.43 1s3r s SER 264 Ca 0.72 2.69 -0.13 0.00 0.48 0.00 0.00 55.95 59.71 1s3r s SER 264 Cb -0.57 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 62.98 1s3r s SER 264 CO 0.40 -0.91 1.08 -2.16 0.98 0.00 0.00 173.24 172.64 1s3r s PRO 265 N 1.70 2.79 0.21 4.02 0.04 -1.26 -4.92 135.00 137.58 1s3r s PRO 265 Ca 0.74 1.20 0.21 0.00 0.04 0.00 0.00 61.00 63.18 1s3r s PRO 265 Cb -0.45 -1.96 0.90 0.00 0.04 0.00 0.00 34.50 33.03 1s3r s PRO 265 CO 0.33 -1.23 1.64 0.09 0.04 0.00 0.00 177.00 177.86 1s3r n ASN 266 N -2.79 0.51 -3.63 6.66 3.02 -1.26 -4.80 115.26 112.97 1s3r n ASN 266 Ca 0.09 0.64 -0.03 0.00 -0.03 0.00 0.00 54.58 55.25 1s3r n ASN 266 Cb 0.53 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 1s3r n ASN 266 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1s3r s SER 267 N -3.95 -0.06 0.30 6.41 1.04 -1.26 -5.01 113.70 111.17 1s3r s SER 267 Ca 0.04 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1s3r s SER 267 Cb 0.09 0.06 0.71 0.00 0.10 0.00 0.00 66.02 66.97 1s3r s SER 267 CO 0.33 -0.07 1.57 -0.65 0.98 0.00 0.00 173.24 175.40 1s3r h PRO 268 N 2.07 0.01 -0.96 4.02 0.11 -1.87 -0.08 132.00 135.30 1s3r h PRO 268 Ca -0.07 -0.00 0.31 0.00 0.11 0.00 0.00 66.00 66.34 1s3r h PRO 268 Cb 1.17 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 1s3r h PRO 268 CO 0.22 0.01 0.37 0.66 -0.21 0.00 0.00 178.00 179.05 1s3r h SER 269 N 0.01 0.15 0.36 -2.05 4.64 -1.85 -2.51 113.55 112.30 1s3r h SER 269 Ca 0.58 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 1s3r h SER 269 Cb 1.15 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1s3r h SER 269 CO -0.92 -0.25 0.00 0.00 -0.87 0.00 0.00 176.83 174.79 1s3r n ALA 270 N -2.55 1.44 0.08 5.18 0.00 -0.04 -2.20 120.51 122.42 1s3r n ALA 270 Ca 0.29 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.75 1s3r n ALA 270 Cb 0.93 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 1s3r n ALA 270 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1s3r h LEU 271 N 0.00 0.00-10.15 0.00 3.38 -1.60 -3.36 115.31 103.58 1s3r h LEU 271 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1s3r h LEU 271 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1s3r h LEU 271 CO 0.00 0.47 -0.40 -0.36 0.09 0.00 0.00 178.44 178.24 1s3r s PHE 272 N -2.99 2.92 0.95 1.13 0.40 -0.93 -1.96 117.98 117.49 1s3r s PHE 272 Ca 0.00 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 1s3r s PHE 272 Cb 0.08 -1.93 0.16 0.00 0.51 0.00 0.00 43.02 41.85 1s3r s PHE 272 CO 0.78 0.06 1.10 0.20 0.70 0.00 0.00 175.22 178.06 1s3r s GLY 273 N -4.07 1.59 0.14 4.36 0.00 0.64 -2.89 107.32 107.09 1s3r s GLY 273 Ca 0.44 -0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.61 1s3r s GLY 273 CO 0.28 0.31 1.10 -1.35 0.00 0.00 0.00 173.10 173.44 1s3r s SER 274 N -3.49 7.25 0.00 1.64 1.04 -1.26 -3.14 113.70 115.74 1s3r s SER 274 Ca 0.64 2.03 0.00 0.00 0.48 0.00 0.00 55.95 59.11 1s3r s SER 274 Cb -0.18 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1s3r s SER 274 CO 0.57 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.14 1s3r n GLY 275 N 2.33 0.44 3.78 7.32 0.00 -1.26 -5.07 105.19 112.73 1s3r n GLY 275 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.40 0.06 -0.61 -1.09 -1.19 -5.04 121.20 114.74 1s3r s ILE 276 Ca 0.00 1.05 0.04 0.00 -2.23 0.00 0.00 60.65 59.50 1s3r s ILE 276 Cb 0.00 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1s3r s ILE 276 CO 0.00 -0.02 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.70 1s3r s THR 277 N -1.62 0.81 0.32 2.92 2.01 -1.26 -4.81 115.64 114.01 1s3r s THR 277 Ca 0.61 -1.22 0.10 0.00 0.31 0.00 0.00 61.69 61.49 1s3r s THR 277 Cb -0.25 -0.86 0.32 0.00 0.01 0.00 0.00 72.50 71.71 1s3r s THR 277 CO 0.31 -0.33 1.74 -0.65 -0.69 0.00 0.00 174.62 174.99 1s3r h PRO 278 N 4.33 0.56 -0.07 4.92 0.11 -1.93 -0.47 132.00 139.46 1s3r h PRO 278 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1s3r h PRO 278 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1s3r h PRO 278 CO 0.41 0.37 0.04 1.15 -0.21 0.00 0.00 178.00 179.77 1s3r h THR 279 N 0.58 1.03 -0.91 -1.15 2.02 -1.97 0.19 112.91 112.70 1s3r h THR 279 Ca 0.64 -0.08 0.25 0.00 0.77 0.00 0.00 66.41 67.98 1s3r h THR 279 Cb 1.23 0.97 -0.14 0.00 -1.74 0.00 0.00 68.15 68.47 1s3r h THR 279 CO -0.46 0.03 0.35 0.44 0.37 0.00 0.00 175.52 176.26 1s3r h ASP 280 N 0.07 0.21 1.25 4.18 3.32 -1.50 -0.22 116.42 123.73 1s3r h ASP 280 Ca 0.02 0.18 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1s3r h ASP 280 Cb 0.01 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1s3r h ASP 280 CO -0.00 -0.11 -0.72 -0.07 -1.72 0.00 0.00 179.24 176.62 1s3r h LEU 281 N 0.29 0.00 0.01 1.55 3.38 -0.84 -2.55 115.31 117.15 1s3r h LEU 281 Ca 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.57 1s3r h LEU 281 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1s3r h LEU 281 CO -0.61 0.72 -0.00 0.40 0.09 0.00 0.00 178.44 179.03 1s3r h ILE 282 N 0.00 1.16 -0.17 1.22 1.08 0.10 -0.94 117.51 119.97 1s3r h ILE 282 Ca -0.01 -0.50 0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1s3r h ILE 282 Cb 1.54 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 1s3r h ILE 282 CO 0.09 0.13 0.12 0.78 -0.69 0.00 0.00 178.15 178.58 1s3r h ASN 283 N -0.23 0.03 -0.17 1.72 2.35 -1.20 -2.11 115.58 115.97 1s3r h ASN 283 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1s3r h ASN 283 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1s3r h ASN 283 CO 0.00 0.02 0.00 0.54 -1.65 0.00 0.00 177.43 176.34 1s3r n ARG 284 N -4.50 1.63 -1.16 0.81 3.00 -0.96 -4.91 116.66 110.58 1s3r n ARG 284 Ca 0.01 -0.95 -0.05 0.00 -0.01 0.00 0.00 57.85 56.84 1s3r n ARG 284 Cb 0.22 -1.35 -0.02 0.00 0.00 0.00 0.00 32.46 31.31 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 1.06 0.78 3.48 -0.13 0.00 -0.79 -4.98 105.19 104.61 1s3r n GLY 285 Ca 0.15 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.12 4.30 0.00 1.61 1.01 -0.38 -4.64 120.40 120.19 1s3r s VAL 286 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1s3r s VAL 286 Cb 0.00 -4.81 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1s3r s VAL 286 CO 0.00 -1.61 0.00 -0.46 0.00 0.00 0.00 175.10 173.03 1s3r n ASN 287 N 7.76 0.00 0.09 3.32 0.23 -1.08 -4.37 115.26 121.22 1s3r n ASN 287 Ca 0.12 -0.18 0.12 0.00 -0.53 0.00 0.00 54.58 54.10 1s3r n ASN 287 Cb 0.48 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.28 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 0.08 0.53 0.02 -1.92 0.83 113.55 113.09 1s3r h SER 288 Ca 0.00 -0.10 -0.00 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 0.05 -0.04 0.11 -1.14 0.00 0.00 176.83 175.81 1s3r h LYS 289 N 0.00 -0.11 -2.65 3.45 1.57 -1.94 -3.41 116.57 113.49 1s3r h LYS 289 Ca 0.00 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.19 1s3r h LYS 289 Cb 0.88 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 32.81 1s3r h LYS 289 CO 0.00 0.27 -0.78 0.25 -0.57 0.00 0.00 179.45 178.61 1s3r n THR 290 N -4.96 0.27 -1.14 -0.16 -2.24 -1.19 -4.94 114.28 99.92 1s3r n THR 290 Ca -0.08 -4.20 -0.29 0.00 -2.27 0.00 0.00 64.05 57.21 1s3r n THR 290 Cb 0.22 -1.93 0.16 0.00 -2.10 0.00 0.00 70.33 66.68 1s3r n THR 290 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1s3r s PRO 291 N -0.83 0.85 0.16 -0.78 0.04 0.28 -2.64 135.00 132.07 1s3r s PRO 291 Ca 0.30 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 1s3r s PRO 291 Cb 0.02 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 1s3r s PRO 291 CO -0.17 -2.50 0.60 -1.25 0.04 0.00 0.00 177.00 173.72 1s3r s PRO 292 N -4.91 4.08 0.26 0.56 0.04 -1.26 -1.57 135.00 132.20 1s3r s PRO 292 Ca 0.64 0.62 0.04 0.00 0.04 0.00 0.00 61.00 62.34 1s3r s PRO 292 Cb -0.19 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 1s3r s PRO 292 CO 0.58 0.47 0.01 0.14 0.04 0.00 0.00 177.00 178.24 1s3r s VAL 293 N -1.44 1.12 0.01 -0.36 -7.23 -0.08 -1.69 120.40 110.74 1s3r s VAL 293 Ca 0.38 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1s3r s VAL 293 Cb -0.16 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1s3r s VAL 293 CO 0.20 -0.24 -0.10 -0.72 -0.31 0.00 0.00 175.10 173.93 1s3r s TYR 294 N -3.36 0.91 -0.31 2.82 -0.85 -0.25 -1.81 117.35 114.51 1s3r s TYR 294 Ca 0.31 -0.26 -0.28 0.00 -0.52 0.00 0.00 57.07 56.32 1s3r s TYR 294 Cb 0.06 -0.56 -0.06 0.00 0.38 0.00 0.00 41.96 41.78 1s3r s TYR 294 CO 0.11 -0.01 2.29 0.28 -1.52 0.00 0.00 175.55 176.70 1s3r n VAL 295 N 2.37 0.20 0.02 -3.49 0.31 -0.59 -0.85 118.33 116.29 1s3r n VAL 295 Ca -0.16 -0.57 -0.02 0.00 -0.01 0.00 0.00 64.34 63.58 1s3r n VAL 295 Cb 0.56 -2.63 -0.09 0.00 -0.91 0.00 0.00 33.84 30.77 1s3r n VAL 295 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1s3r n SER 296 N 13.06 0.85 -3.94 4.52 3.41 0.12 -0.88 113.62 130.76 1s3r n SER 296 Ca 0.33 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1s3r n SER 296 Cb 0.47 0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 1s3r n SER 296 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1s3r s ASN 297 N -5.82 0.27 -0.11 4.04 0.01 -1.21 -0.34 114.94 111.78 1s3r s ASN 297 Ca -0.03 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 1s3r s ASN 297 Cb 0.09 0.03 0.03 0.00 0.41 0.00 0.00 41.25 41.81 1s3r s ASN 297 CO 0.81 -0.12 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.56 1s3r s VAL 298 N -0.68 0.77 -0.04 1.60 1.01 -0.74 -1.70 120.40 120.62 1s3r s VAL 298 Ca -0.06 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 1s3r s VAL 298 Cb -0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1s3r s VAL 298 CO -0.00 0.24 0.42 -0.44 0.00 0.00 0.00 175.10 175.32 1s3r s SER 299 N 1.80 6.75 0.02 3.32 0.01 0.37 -1.17 113.70 124.81 1s3r s SER 299 Ca 0.04 0.89 0.05 0.00 1.31 0.00 0.00 55.95 58.24 1s3r s SER 299 Cb -0.13 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1s3r s SER 299 CO -0.07 0.23 -0.11 -0.31 0.41 0.00 0.00 173.24 173.39 1s3r s TYR 300 N -0.53 2.76 0.00 2.43 1.51 0.19 -0.77 117.35 122.94 1s3r s TYR 300 Ca 0.24 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1s3r s TYR 300 Cb -0.16 -1.55 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1s3r s TYR 300 CO 0.12 0.33 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 1s3r n GLY 301 N 1.52 -0.58 2.99 0.71 0.00 -0.20 -0.78 105.19 108.86 1s3r n GLY 301 Ca -0.16 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.13 1.08 0.09 1.61 0.52 -0.77 -3.83 118.95 116.52 1s3r s ARG 302 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1s3r s ARG 302 Cb 0.00 -0.99 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 1s3r s ARG 302 CO 0.00 0.08 -0.09 0.00 0.02 0.00 0.00 175.30 175.31 1s3r s ALA 303 N 0.35 1.02 0.04 2.13 0.00 0.26 -0.76 121.76 124.81 1s3r s ALA 303 Ca -0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 1s3r s ALA 303 Cb -0.11 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1s3r s ALA 303 CO 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 175.76 175.73 1s3r s MET 304 N -2.83 0.51 -0.09 0.00 0.23 -0.09 0.14 119.30 117.17 1s3r s MET 304 Ca 0.05 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 53.89 1s3r s MET 304 Cb -0.02 0.19 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1s3r s MET 304 CO -0.01 -0.11 -0.08 0.71 -2.03 0.00 0.00 175.02 173.50 1s3r s TYR 305 N -2.59 2.90 -0.01 3.16 1.51 -0.16 -1.14 117.35 121.01 1s3r s TYR 305 Ca -0.05 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1s3r s TYR 305 Cb -0.01 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1s3r s TYR 305 CO -0.05 0.17 -0.08 0.08 -1.11 0.00 0.00 175.55 174.56 1s3r s VAL 306 N -0.42 0.67 -0.09 0.71 1.01 -0.56 -0.94 120.40 120.78 1s3r s VAL 306 Ca 0.06 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1s3r s VAL 306 Cb -0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1s3r s VAL 306 CO 0.02 0.20 -0.13 -0.75 0.00 0.00 0.00 175.10 174.45 1s3r s LYS 307 N -0.01 2.97 -0.12 2.72 2.20 0.77 -0.94 119.74 127.32 1s3r s LYS 307 Ca 0.00 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1s3r s LYS 307 Cb -0.05 -2.53 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 1s3r s LYS 307 CO -0.00 0.43 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.30 1s3r s PHE 308 N -0.20 3.00 -0.37 4.03 0.40 -0.25 -1.82 117.98 122.76 1s3r s PHE 308 Ca 0.01 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1s3r s PHE 308 Cb -0.13 -1.87 0.11 0.00 0.51 0.00 0.00 43.02 41.64 1s3r s PHE 308 CO 0.03 0.10 0.13 -1.21 0.70 0.00 0.00 175.22 174.96 1s3r s GLU 309 N -0.07 1.24 0.25 0.44 2.02 -0.90 -1.56 118.70 120.13 1s3r s GLU 309 Ca 0.01 -1.72 -0.09 0.00 0.02 0.00 0.00 54.97 53.19 1s3r s GLU 309 Cb -0.13 -2.64 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 1s3r s GLU 309 CO 0.03 -1.02 0.57 0.95 0.02 0.00 0.00 175.26 175.81 1s3r s THR 310 N 0.90 4.92 -0.70 3.63 -4.23 -1.10 -2.25 115.64 116.82 1s3r s THR 310 Ca 0.13 0.45 0.22 0.00 -1.18 0.00 0.00 61.69 61.31 1s3r s THR 310 Cb -0.20 -3.64 -0.16 0.00 1.34 0.00 0.00 72.50 69.84 1s3r s THR 310 CO -0.11 -0.14 0.97 0.35 -0.54 0.00 0.00 174.62 175.15 1s3r n THR 311 N -0.33 0.08 -1.17 3.99 -2.24 -1.26 -1.15 114.28 112.21 1s3r n THR 311 Ca 0.00 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 1s3r n THR 311 Cb 0.53 0.42 0.12 0.00 -2.10 0.00 0.00 70.33 69.30 1s3r n THR 311 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s3r s SER 312 N -3.63 3.69 -0.31 3.42 0.15 -1.26 -4.80 113.70 110.96 1s3r s SER 312 Ca 0.04 2.38 0.08 0.00 0.70 0.00 0.00 55.95 59.15 1s3r s SER 312 Cb 0.15 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.40 1s3r s SER 312 CO 0.82 -2.60 1.52 0.29 1.20 0.00 0.00 173.24 174.47 1s3r n LYS 313 N -3.19 1.93 -1.32 5.44 5.02 -1.26 -4.56 118.16 120.22 1s3r n LYS 313 Ca 0.14 -3.16 -0.30 0.00 -2.02 0.00 0.00 58.31 52.96 1s3r n LYS 313 Cb 0.50 -1.86 0.10 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.38 4.25 -0.10 4.39 0.15 -1.26 -4.70 113.70 114.04 1s3r s SER 314 Ca 0.46 1.61 -0.27 0.00 0.70 0.00 0.00 55.95 58.46 1s3r s SER 314 Cb 0.41 -2.33 -0.23 0.00 -1.71 0.00 0.00 66.02 62.16 1s3r s SER 314 CO 0.01 -2.17 0.86 0.74 1.20 0.00 0.00 173.24 173.89 1s3r h THR 315 N -1.22 1.57 -0.37 6.45 2.02 -1.97 -3.41 112.91 115.98 1s3r h THR 315 Ca -0.46 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1s3r h THR 315 Cb 1.25 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 1s3r h THR 315 CO 0.54 0.49 0.00 0.29 0.37 0.00 0.00 175.52 177.21 1s3r n LYS 316 N -4.70 2.46 -0.34 6.66 5.02 -1.26 -4.50 118.16 121.51 1s3r n LYS 316 Ca -0.09 -1.57 0.17 0.00 -2.02 0.00 0.00 58.31 54.80 1s3r n LYS 316 Cb 0.39 -1.58 0.38 0.00 -0.02 0.00 0.00 35.03 34.20 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 2.28 0.54 0.36 -0.18 2.07 -1.99 0.50 116.25 119.83 1s3r h VAL 317 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1s3r h VAL 317 Cb 0.88 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1s3r h VAL 317 CO 0.12 0.11 -0.17 -0.61 0.02 0.00 0.00 177.57 177.03 1s3r h GLN 318 N 0.58 -0.47 0.00 1.57 5.75 -1.96 -0.28 115.11 120.30 1s3r h GLN 318 Ca 0.64 0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 59.17 1s3r h GLN 318 Cb 1.20 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.85 1s3r h GLN 318 CO -0.48 -0.28 -0.01 0.00 -2.65 0.00 0.00 178.83 175.42 1s3r h ALA 319 N 0.09 1.83 -0.12 3.38 0.00 -1.55 0.94 119.26 123.84 1s3r h ALA 319 Ca -0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1s3r h ALA 319 Cb 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1s3r h ALA 319 CO 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 179.25 179.29 1s3r h ALA 320 N 1.99 0.16 -0.32 0.00 0.00 -0.44 0.06 119.26 120.72 1s3r h ALA 320 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1s3r h ALA 320 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1s3r h ALA 320 CO 0.00 -0.06 0.04 0.82 0.00 0.00 0.00 179.25 180.05 1s3r h ILE 321 N -0.11 1.24 -0.93 0.00 2.04 -0.51 -2.50 117.51 116.75 1s3r h ILE 321 Ca 0.03 -0.84 0.17 0.00 1.00 0.00 0.00 64.86 65.21 1s3r h ILE 321 Cb 0.51 1.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 1s3r h ILE 321 CO 0.02 0.28 0.59 0.44 0.00 0.00 0.00 178.15 179.48 1s3r h ASP 322 N 0.35 0.64 -0.52 1.72 3.32 -0.79 -1.86 116.42 119.29 1s3r h ASP 322 Ca 0.10 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 1s3r h ASP 322 Cb 0.37 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1s3r h ASP 322 CO 0.01 0.29 0.12 0.00 -1.72 0.00 0.00 179.24 177.94 1s3r h ALA 323 N 1.61 1.14 0.38 3.45 0.00 -0.52 -2.38 119.26 122.93 1s3r h ALA 323 Ca 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1s3r h ALA 323 Cb 0.85 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1s3r h ALA 323 CO -0.24 0.58 -0.18 0.28 0.00 0.00 0.00 179.25 179.68 1s3r h VAL 324 N 0.85 0.00 -0.95 0.00 2.07 -1.15 -3.23 116.25 113.84 1s3r h VAL 324 Ca 0.18 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1s3r h VAL 324 Cb 0.34 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.97 1s3r h VAL 324 CO 0.00 0.00 -0.45 0.52 0.02 0.00 0.00 177.57 177.66 1s3r n VAL 325 N -3.73 -0.56 -1.45 2.57 0.31 -1.13 -3.39 118.33 110.94 1s3r n VAL 325 Ca -0.06 2.26 -0.39 0.00 -0.01 0.00 0.00 64.34 66.13 1s3r n VAL 325 Cb 0.20 -2.90 -0.02 0.00 -0.91 0.00 0.00 33.84 30.21 1s3r n VAL 325 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1s3r n LYS 326 N -5.31 3.76 0.00 5.55 2.85 -0.90 -4.76 118.16 119.35 1s3r n LYS 326 Ca 0.06 -2.42 0.00 0.00 -1.05 0.00 0.00 58.31 54.90 1s3r n LYS 326 Cb 0.32 -2.82 0.00 0.00 -0.65 0.00 0.00 35.03 31.88 1s3r n LYS 326 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s3r n GLY 327 N 3.36 1.26 2.09 2.58 0.00 -1.22 -4.78 105.19 108.48 1s3r n GLY 327 Ca 0.74 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.60 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 0.58 6.48 -0.89 4.61 0.00 -1.22 -4.88 120.51 125.18 1s3r n ALA 328 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.32 1s3r n ALA 328 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1s3r n ALA 328 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s3r n LYS 329 N 2.37 0.00 -3.43 0.00 2.85 -1.26 -3.21 118.16 115.48 1s3r n LYS 329 Ca 0.46 0.29 -0.43 0.00 -1.05 0.00 0.00 58.31 57.58 1s3r n LYS 329 Cb 0.82 -0.74 -0.03 0.00 -0.65 0.00 0.00 35.03 34.43 1s3r n LYS 329 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1s3r s LEU 330 N -1.23 6.27 -0.15 -5.58 1.43 -1.26 -4.77 118.68 113.39 1s3r s LEU 330 Ca 0.00 -3.12 -0.29 0.00 -1.03 0.00 0.00 54.13 49.69 1s3r s LEU 330 Cb 0.00 -2.12 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 1s3r s LEU 330 CO 0.00 -0.41 2.01 -0.75 0.23 0.00 0.00 176.35 177.43 1s3r s LYS 331 N -0.50 3.57 0.00 1.70 2.36 -1.20 -5.00 119.74 120.69 1s3r s LYS 331 Ca 0.23 2.11 0.00 0.00 -2.55 0.00 0.00 55.97 55.75 1s3r s LYS 331 Cb -0.11 -4.24 0.00 0.00 -1.05 0.00 0.00 37.83 32.43 1s3r s LYS 331 CO -0.08 -1.59 0.00 0.00 1.55 0.00 0.00 175.35 175.23 1s3r n ALA 332 N 9.75 0.00 -0.51 3.13 0.00 -1.26 -4.59 120.51 127.02 1s3r n ALA 332 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1s3r n ALA 332 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 3.44 1.78 0.00 0.00 0.00 -1.26 -4.68 105.19 104.47 1s3r n GLY 333 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.00 2.61 -1.04 -1.26 -5.04 114.28 109.55 1s3r n THR 334 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1s3r n THR 334 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1s3r n THR 334 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1s3r n GLU 335 N 0.00 0.00 -0.02 -2.82 -0.00 -1.26 -4.91 120.64 111.62 1s3r n GLU 335 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.15 1s3r n GLU 335 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 31.44 31.71 1s3r n GLU 335 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1s3r h TYR 336 N 0.00 0.60 0.63 -1.84 0.99 -1.93 -3.24 116.97 112.18 1s3r h TYR 336 Ca 0.00 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1s3r h TYR 336 Cb 0.00 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 1s3r h TYR 336 CO 0.00 0.58 -0.50 1.49 -0.00 0.00 0.00 178.16 179.72 1s3r h GLU 337 N 0.56 -1.06 -0.96 4.88 4.81 -1.89 -3.08 114.58 117.84 1s3r h GLU 337 Ca 0.12 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1s3r h GLU 337 Cb 0.34 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1s3r h GLU 337 CO 0.01 -0.70 0.00 0.09 -0.73 0.00 0.00 179.01 177.68 1s3r n ASN 338 N -5.55 1.48 0.01 1.04 4.13 -1.22 -2.59 115.26 112.55 1s3r n ASN 338 Ca -0.13 -1.64 0.00 0.00 1.68 0.00 0.00 54.58 54.49 1s3r n ASN 338 Cb 0.48 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1s3r n ASN 338 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1s3r n ILE 339 N 0.29 0.29 0.30 2.41 5.41 -1.17 -4.68 119.36 122.20 1s3r n ILE 339 Ca 0.00 0.09 0.19 0.00 1.00 0.00 0.00 62.75 64.03 1s3r n ILE 339 Cb 0.29 -1.50 0.84 0.00 -0.71 0.00 0.00 39.64 38.56 1s3r n ILE 339 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1s3r h LEU 340 N 0.00 0.00 -1.10 1.39 3.38 -1.48 -2.84 115.31 114.66 1s3r h LEU 340 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1s3r h LEU 340 Cb 0.75 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1s3r h LEU 340 CO 0.00 0.00 0.61 0.11 0.09 0.00 0.00 178.44 179.25 1s3r h LYS 341 N 0.00 0.90 -1.46 1.13 1.57 -1.77 -3.01 116.57 113.92 1s3r h LYS 341 Ca -0.00 -0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 58.08 1s3r h LYS 341 Cb 0.37 -0.20 -0.36 0.00 0.08 0.00 0.00 32.23 32.11 1s3r h LYS 341 CO 0.00 0.59 -0.00 0.27 -0.57 0.00 0.00 179.45 179.74 1s3r n ASN 342 N -4.58 5.98 -4.36 0.86 2.04 -1.07 -4.93 115.26 109.20 1s3r n ASN 342 Ca 0.18 -3.77 -0.33 0.00 -0.44 0.00 0.00 54.58 50.21 1s3r n ASN 342 Cb 0.36 -0.69 -0.14 0.00 -2.53 0.00 0.00 39.78 36.78 1s3r n ASN 342 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1s3r s THR 343 N -5.15 3.12 -0.57 5.53 2.01 -1.14 -4.48 115.64 114.96 1s3r s THR 343 Ca 0.52 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.70 1s3r s THR 343 Cb 0.43 -2.33 0.09 0.00 0.01 0.00 0.00 72.50 70.69 1s3r s THR 343 CO -0.19 0.51 0.69 -0.54 -0.69 0.00 0.00 174.62 174.39 1s3r s LYS 344 N 0.59 3.07 -0.12 4.92 -0.14 -0.95 -3.73 119.74 123.38 1s3r s LYS 344 Ca -0.07 -1.18 -0.21 0.00 -1.36 0.00 0.00 55.97 53.15 1s3r s LYS 344 Cb -0.15 -4.22 -0.03 0.00 -1.68 0.00 0.00 37.83 31.74 1s3r s LYS 344 CO 0.03 -1.46 0.62 0.42 -0.76 0.00 0.00 175.35 174.20 1s3r s ILE 345 N 2.71 5.08 -0.10 2.17 -1.09 -0.64 -2.11 121.20 127.23 1s3r s ILE 345 Ca 0.13 1.24 -0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1s3r s ILE 345 Cb -0.23 -3.95 0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1s3r s ILE 345 CO 0.08 0.23 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.07 1s3r s THR 346 N 1.06 0.91 -0.05 2.92 2.01 -0.76 -1.77 115.64 119.97 1s3r s THR 346 Ca 0.32 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1s3r s THR 346 Cb -0.16 -0.94 0.02 0.00 0.01 0.00 0.00 72.50 71.42 1s3r s THR 346 CO 0.14 0.34 -0.06 0.00 -0.69 0.00 0.00 174.62 174.35 1s3r s ALA 347 N 1.64 0.80 -0.19 7.40 0.00 0.26 -0.16 121.76 131.50 1s3r s ALA 347 Ca 0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 1s3r s ALA 347 Cb -0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1s3r s ALA 347 CO -0.06 0.04 0.13 0.08 0.00 0.00 0.00 175.76 175.94 1s3r s VAL 348 N 0.78 5.38 0.32 0.00 1.01 -0.12 -0.41 120.40 127.37 1s3r s VAL 348 Ca -0.12 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1s3r s VAL 348 Cb -0.14 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1s3r s VAL 348 CO 0.01 0.46 0.01 0.68 0.00 0.00 0.00 175.10 176.26 1s3r s VAL 349 N 0.20 2.79 -0.21 2.92 -7.23 -1.26 -0.99 120.40 116.62 1s3r s VAL 349 Ca 0.08 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.22 1s3r s VAL 349 Cb -0.11 -2.79 0.10 0.00 0.56 0.00 0.00 36.38 34.13 1s3r s VAL 349 CO -0.01 -0.24 0.45 -0.76 -0.31 0.00 0.00 175.10 174.23 1s3r s LEU 350 N -3.71 -0.72 0.00 1.32 1.43 0.12 -3.28 118.68 113.84 1s3r s LEU 350 Ca 0.34 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1s3r s LEU 350 Cb -0.02 1.49 0.00 0.00 0.03 0.00 0.00 46.19 47.70 1s3r s LEU 350 CO 0.19 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1s3r n GLY 351 N 5.39 3.19 0.17 -3.19 0.00 -1.26 0.92 105.19 110.41 1s3r n GLY 351 Ca -0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 1s3r n GLY 351 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s3r h GLY 352 N 0.00 -1.72 -0.18 -0.02 0.00 -1.91 -3.44 103.07 95.79 1s3r h GLY 352 Ca 0.00 0.87 -0.34 0.00 0.00 0.00 0.00 47.33 47.85 1s3r h GLY 352 CO 0.00 -0.54 -0.22 0.70 0.00 0.00 0.00 176.54 176.47 1s3r n ASN 353 N -3.77 2.51 -4.51 0.19 3.02 -1.26 -5.12 115.26 106.31 1s3r n ASN 353 Ca -0.01 -2.14 -0.43 0.00 -0.03 0.00 0.00 54.58 51.97 1s3r n ASN 353 Cb 0.12 0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 1s3r n ASN 353 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1s3r s PRO 354 N -3.06 3.26 0.00 3.52 0.05 -1.26 -4.67 135.00 132.85 1s3r s PRO 354 Ca 0.05 -0.40 0.00 0.00 0.05 0.00 0.00 61.00 60.70 1s3r s PRO 354 Cb -0.00 -3.95 0.00 0.00 0.05 0.00 0.00 34.50 30.59 1s3r s PRO 354 CO 0.03 -1.00 0.00 0.41 0.05 0.00 0.00 177.00 176.49 1s3r n GLY 355 N 5.04 0.70 0.00 0.56 0.00 -1.26 -5.07 105.19 105.16 1s3r n GLY 355 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1s3r n GLY 355 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1s3r n GLU 356 N 0.00 3.56 0.28 1.61 0.00 -1.26 -4.36 120.64 120.48 1s3r n GLU 356 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 57.16 57.33 1s3r n GLU 356 Cb 0.00 -0.61 0.91 0.00 0.00 0.00 0.00 31.44 31.74 1s3r n GLU 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s3r h ALA 357 N 0.00 1.10 -3.00 -1.84 0.00 -1.94 -2.02 119.26 111.55 1s3r h ALA 357 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s3r h ALA 357 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s3r h ALA 357 CO 0.00 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 1s3r n SER 358 N -2.76 0.00 -4.52 0.00 3.41 -1.26 -4.84 113.62 103.65 1s3r n SER 358 Ca -0.02 0.19 -0.38 0.00 -0.26 0.00 0.00 58.87 58.40 1s3r n SER 358 Cb 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1s3r n SER 358 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1s3r n LYS 359 N -0.47 0.42 -2.68 4.33 3.00 -0.76 -4.90 118.16 117.10 1s3r n LYS 359 Ca 0.00 -0.02 -0.39 0.00 -0.00 0.00 0.00 58.31 57.90 1s3r n LYS 359 Cb 0.00 -2.30 -0.06 0.00 0.00 0.00 0.00 35.03 32.68 1s3r n LYS 359 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1s3r s VAL 360 N 10.14 3.94 -0.09 3.15 1.01 -1.26 -4.40 120.40 132.90 1s3r s VAL 360 Ca 1.20 1.82 0.03 0.00 0.00 0.00 0.00 61.98 65.03 1s3r s VAL 360 Cb -0.80 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 1s3r s VAL 360 CO 0.39 0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 175.03 1s3r s ILE 361 N -1.33 2.79 0.10 2.22 -1.09 0.46 -4.97 121.20 119.37 1s3r s ILE 361 Ca 0.46 -0.79 0.09 0.00 -2.23 0.00 0.00 60.65 58.18 1s3r s ILE 361 Cb -0.25 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1s3r s ILE 361 CO 0.31 0.56 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.46 1s3r s THR 362 N -0.10 1.94 -3.03 2.92 2.01 -1.26 -0.58 115.64 117.54 1s3r s THR 362 Ca -0.03 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1s3r s THR 362 Cb -0.14 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.65 1s3r s THR 362 CO 0.04 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1s3r n GLY 363 N 1.21 -0.53 0.77 4.40 0.00 -0.73 -5.01 105.19 105.30 1s3r n GLY 363 Ca -0.18 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 1s3r n GLY 363 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s3r n ASN 364 N 0.00 1.74 -0.38 1.61 3.02 -1.26 -1.62 115.26 118.37 1s3r n ASN 364 Ca 0.00 -1.42 0.30 0.00 -0.03 0.00 0.00 54.58 53.43 1s3r n ASN 364 Cb 0.00 0.03 0.59 0.00 -0.61 0.00 0.00 39.78 39.79 1s3r n ASN 364 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1s3r h ILE 365 N 0.75 0.35 -0.32 2.41 6.09 -1.78 0.53 117.51 125.54 1s3r h ILE 365 Ca -0.08 -0.08 -0.15 0.00 -1.37 0.00 0.00 64.86 63.18 1s3r h ILE 365 Cb 0.26 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.65 1s3r h ILE 365 CO 0.13 0.04 -0.40 0.44 -3.07 0.00 0.00 178.15 175.29 1s3r h ASP 366 N 0.23 0.82 0.06 2.19 3.32 -1.94 -2.98 116.42 118.12 1s3r h ASP 366 Ca 0.68 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1s3r h ASP 366 Cb 2.03 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.35 1s3r h ASP 366 CO -0.30 1.12 -0.03 0.74 -1.72 0.00 0.00 179.24 179.04 1s3r h THR 367 N 0.63 0.68 0.20 0.35 2.02 -1.24 -2.17 112.91 113.37 1s3r h THR 367 Ca 0.05 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1s3r h THR 367 Cb 0.96 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1s3r h THR 367 CO 0.09 0.03 -0.10 0.25 0.37 0.00 0.00 175.52 176.16 1s3r h LEU 368 N 0.00 -0.23 -1.89 2.58 5.85 -1.47 -2.68 115.31 117.48 1s3r h LEU 368 Ca -0.00 0.01 0.46 0.00 0.84 0.00 0.00 57.88 59.19 1s3r h LEU 368 Cb 0.07 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1s3r h LEU 368 CO 0.00 -0.09 1.21 0.11 -0.34 0.00 0.00 178.44 179.33 1s3r h LYS 369 N -0.41 0.00 0.24 1.25 1.57 -1.29 1.28 116.57 119.21 1s3r h LYS 369 Ca -0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.42 1s3r h LYS 369 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.55 1s3r h LYS 369 CO 0.04 0.00 -1.50 -0.44 -0.57 0.00 0.00 179.45 176.98 1s3r h ASP 370 N 0.00 0.80 -0.61 0.86 3.32 -1.51 -1.27 116.42 118.01 1s3r h ASP 370 Ca 0.76 -0.89 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1s3r h ASP 370 Cb 3.16 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 42.42 1s3r h ASP 370 CO -0.01 1.70 0.31 -0.07 -1.72 0.00 0.00 179.24 179.45 1s3r h LEU 371 N 0.14 0.82 -0.24 1.55 3.38 0.18 -0.92 115.31 120.21 1s3r h LEU 371 Ca -0.26 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 1s3r h LEU 371 Cb 2.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 1s3r h LEU 371 CO 0.26 0.69 -0.35 0.40 0.09 0.00 0.00 178.44 179.54 1s3r h ILE 372 N 0.90 1.31 0.00 1.22 2.04 -0.55 -3.09 117.51 119.35 1s3r h ILE 372 Ca 0.22 -1.55 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 1s3r h ILE 372 Cb 0.09 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1s3r h ILE 372 CO -0.03 0.49 -0.58 -0.61 0.00 0.00 0.00 178.15 177.41 1s3r h GLN 373 N 0.38 0.00 -0.48 2.37 -0.00 -1.18 -2.07 115.11 114.14 1s3r h GLN 373 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.58 1s3r h GLN 373 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.40 1s3r h GLN 373 CO 0.08 0.58 -0.10 -0.22 0.00 0.00 0.00 178.83 179.18 1s3r h LYS 374 N 0.00 0.87 -0.17 1.69 1.63 -1.15 -2.69 116.57 116.75 1s3r h LYS 374 Ca -0.01 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 1s3r h LYS 374 Cb 1.07 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1s3r h LYS 374 CO 0.08 0.93 0.00 0.41 -3.45 0.00 0.00 179.45 177.42 1s3r n GLY 375 N -0.40 0.57 0.27 5.01 0.00 -1.17 -4.51 105.19 104.96 1s3r n GLY 375 Ca 0.02 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 2.90 0.00 -3.95 1.61 4.64 -1.02 -3.43 113.55 114.29 1s3r h SER 376 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1s3r h SER 376 Cb 0.63 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.53 1s3r h SER 376 CO 0.00 0.11 -0.77 0.20 -0.87 0.00 0.00 176.83 175.50 1s3r s ASN 377 N -6.05 2.22 -0.35 4.97 0.01 -1.26 -0.54 114.94 113.94 1s3r s ASN 377 Ca -0.02 -0.80 -0.29 0.00 -0.71 0.00 0.00 52.86 51.04 1s3r s ASN 377 Cb 0.12 -0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.70 1s3r s ASN 377 CO 0.57 -0.09 1.06 0.12 -1.51 0.00 0.00 177.10 177.26 1s3r s PHE 378 N -1.96 3.10 0.32 2.20 5.36 0.63 -4.88 117.98 122.75 1s3r s PHE 378 Ca 0.10 1.08 0.04 0.00 -0.96 0.00 0.00 56.93 57.19 1s3r s PHE 378 Cb -0.06 -3.78 0.55 0.00 -0.34 0.00 0.00 43.02 39.39 1s3r s PHE 378 CO 0.04 -0.84 1.84 0.66 -1.46 0.00 0.00 175.22 175.46 1s3r h SER 379 N 8.28 0.50 -1.07 6.13 4.64 -1.93 -3.44 113.55 126.67 1s3r h SER 379 Ca -0.21 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 60.83 1s3r h SER 379 Cb 1.06 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1s3r h SER 379 CO 1.04 0.61 -0.21 0.00 -0.87 0.00 0.00 176.83 177.40 1s3r n ALA 380 N -2.48 -0.23 0.09 5.18 0.00 -1.26 -4.93 120.51 116.88 1s3r n ALA 380 Ca 0.01 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1s3r n ALA 380 Cb 0.28 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1s3r n ALA 380 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1s3r h GLN 381 N 0.00 0.18 -2.11 0.00 1.08 -2.01 -3.48 115.11 108.76 1s3r h GLN 381 Ca -0.20 -0.20 0.16 0.00 -1.45 0.00 0.00 58.65 56.97 1s3r h GLN 381 Cb 1.05 0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.40 1s3r h GLN 381 CO 0.24 0.94 0.56 -1.54 -0.95 0.00 0.00 178.83 178.09 1s3r s SER 382 N -6.91 -0.26 0.35 1.46 1.04 -1.26 -5.14 113.70 102.98 1s3r s SER 382 Ca -0.03 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.01 1s3r s SER 382 Cb 0.10 0.36 -0.12 0.00 0.10 0.00 0.00 66.02 66.46 1s3r s SER 382 CO 0.83 -0.61 1.37 -2.65 0.98 0.00 0.00 173.24 173.16 1s3r n PRO 383 N -0.30 2.34 -1.68 4.02 -0.02 -1.26 -4.96 135.00 133.13 1s3r n PRO 383 Ca -0.07 0.82 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 1s3r n PRO 383 Cb 0.61 -2.46 0.10 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.06 2.27 0.02 3.55 0.00 -1.26 -5.07 121.76 120.21 1s3r s ALA 384 Ca 0.55 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1s3r s ALA 384 Cb -0.53 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1s3r s ALA 384 CO 0.62 -1.83 0.16 0.08 0.00 0.00 0.00 175.76 174.80 1s3r s VAL 385 N -3.34 5.21 0.34 0.00 1.01 -1.25 -4.78 120.40 117.60 1s3r s VAL 385 Ca 0.62 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1s3r s VAL 385 Cb -0.13 -3.47 -0.11 0.00 0.00 0.00 0.00 36.38 32.67 1s3r s VAL 385 CO 0.52 0.25 1.55 -2.65 0.00 0.00 0.00 175.10 174.78 1s3r n PRO 386 N 0.73 2.73 0.00 2.72 -0.02 -1.26 -1.03 135.00 138.87 1s3r n PRO 386 Ca -0.09 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1s3r n PRO 386 Cb 0.52 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 1.29 0.00 -3.50 4.25 -5.35 0.05 -4.81 119.36 111.29 1s3r n ILE 387 Ca 0.05 -0.14 -0.15 0.00 -0.27 0.00 0.00 62.75 62.24 1s3r n ILE 387 Cb 0.38 0.85 -0.05 0.00 -1.74 0.00 0.00 39.64 39.09 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 -0.39 -0.58 0.24 7.28 1.04 -1.17 -1.45 113.70 118.67 1s3r s SER 388 Ca 0.00 0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.85 1s3r s SER 388 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1s3r s SER 388 CO 0.00 -0.67 0.27 -0.72 0.98 0.00 0.00 173.24 173.09 1s3r s TYR 389 N -1.97 1.02 0.01 5.02 -0.85 0.26 -0.48 117.35 120.36 1s3r s TYR 389 Ca -0.06 -1.24 0.03 0.00 -0.52 0.00 0.00 57.07 55.28 1s3r s TYR 389 Cb -0.00 -0.34 -0.01 0.00 0.38 0.00 0.00 41.96 41.98 1s3r s TYR 389 CO 0.02 -0.80 -0.08 0.99 -1.52 0.00 0.00 175.55 174.16 1s3r s THR 390 N -3.94 0.62 0.17 -3.49 2.01 -0.69 -0.78 115.64 109.54 1s3r s THR 390 Ca 0.34 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1s3r s THR 390 Cb 0.04 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1s3r s THR 390 CO 0.14 -0.01 -0.00 0.42 -0.69 0.00 0.00 174.62 174.48 1s3r s THR 391 N -0.57 3.73 0.04 -0.82 -4.23 -1.26 0.11 115.64 112.63 1s3r s THR 391 Ca -0.01 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1s3r s THR 391 Cb -0.05 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1s3r s THR 391 CO 0.00 -0.10 -0.12 -0.44 -0.54 0.00 0.00 174.62 173.42 1s3r s SER 392 N -2.92 1.43 0.18 3.99 0.01 -0.03 -0.46 113.70 115.89 1s3r s SER 392 Ca 0.27 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 1s3r s SER 392 Cb -0.09 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 1s3r s SER 392 CO 0.18 -0.01 1.24 -0.36 0.41 0.00 0.00 173.24 174.70 1s3r s PHE 393 N -0.90 3.37 0.31 2.43 0.40 -0.47 -1.09 117.98 122.03 1s3r s PHE 393 Ca -0.01 1.34 0.05 0.00 -0.60 0.00 0.00 56.93 57.71 1s3r s PHE 393 Cb -0.08 -3.49 0.67 0.00 0.51 0.00 0.00 43.02 40.64 1s3r s PHE 393 CO 0.01 -1.45 1.83 0.28 0.70 0.00 0.00 175.22 176.59 1s3r h VAL 394 N 3.82 0.84 0.16 -0.44 2.07 -1.63 0.32 116.25 121.39 1s3r h VAL 394 Ca -0.44 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1s3r h VAL 394 Cb 1.21 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1s3r h VAL 394 CO 0.76 0.16 -0.32 0.50 0.02 0.00 0.00 177.57 178.69 1s3r h LYS 395 N 0.86 -0.55 0.00 1.57 3.64 -1.89 -3.35 116.57 116.85 1s3r h LYS 395 Ca 0.51 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1s3r h LYS 395 Cb 0.66 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1s3r h LYS 395 CO -0.28 -0.37 -0.01 -0.40 -2.27 0.00 0.00 179.45 176.13 1s3r n ASP 396 N -5.42 1.50 -1.63 4.20 5.75 -1.21 -4.88 116.55 114.86 1s3r n ASP 396 Ca -0.07 -1.81 -0.20 0.00 -0.01 0.00 0.00 54.79 52.70 1s3r n ASP 396 Cb 0.33 -0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.41 -5.47 -4.79 -1.12 3.02 0.11 -4.95 115.26 101.65 1s3r n ASN 397 Ca 0.01 0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 54.62 1s3r n ASN 397 Cb 0.33 -4.73 -0.06 0.00 -0.61 0.00 0.00 39.78 34.72 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 -2.71 6.99 0.18 6.41 1.04 -1.25 -4.67 113.70 119.68 1s3r s SER 398 Ca 0.00 1.17 -0.33 0.00 0.48 0.00 0.00 55.95 57.27 1s3r s SER 398 Cb 0.00 -2.35 -0.14 0.00 0.10 0.00 0.00 66.02 63.63 1s3r s SER 398 CO 0.00 0.21 1.50 -0.38 0.98 0.00 0.00 173.24 175.55 1s3r n ILE 399 N 2.17 0.27 -3.12 -1.02 2.08 -1.26 -1.37 119.36 117.10 1s3r n ILE 399 Ca -0.09 -0.07 -0.37 0.00 0.56 0.00 0.00 62.75 62.78 1s3r n ILE 399 Cb 0.51 -1.45 -0.06 0.00 -0.75 0.00 0.00 39.64 37.89 1s3r n ILE 399 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1s3r s ALA 400 N 0.59 3.46 -0.10 -1.39 0.00 0.39 -4.85 121.76 119.86 1s3r s ALA 400 Ca 0.76 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1s3r s ALA 400 Cb -0.70 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1s3r s ALA 400 CO 0.42 0.34 -0.23 0.99 0.00 0.00 0.00 175.76 177.29 1s3r s THR 401 N -1.39 2.18 0.00 0.00 2.01 -1.26 -4.43 115.64 112.74 1s3r s THR 401 Ca 0.39 -0.98 -0.18 0.00 0.31 0.00 0.00 61.69 61.23 1s3r s THR 401 Cb -0.18 -1.84 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 1s3r s THR 401 CO 0.21 0.56 0.51 -0.63 -0.69 0.00 0.00 174.62 174.58 1s3r s ILE 402 N 0.30 4.94 -0.10 1.82 -1.09 0.58 -4.67 121.20 122.98 1s3r s ILE 402 Ca -0.17 1.07 0.02 0.00 -2.23 0.00 0.00 60.65 59.34 1s3r s ILE 402 Cb -0.17 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 1s3r s ILE 402 CO 0.08 0.49 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.56 1s3r s GLN 403 N -0.58 2.01 -0.14 2.79 0.74 0.53 -0.74 119.66 124.27 1s3r s GLN 403 Ca 0.27 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 55.21 1s3r s GLN 403 Cb -0.18 -1.72 0.01 0.00 1.10 0.00 0.00 33.01 32.23 1s3r s GLN 403 CO 0.15 -0.05 -0.20 -0.80 -0.55 0.00 0.00 175.29 173.84 1s3r s ASN 404 N 0.94 3.00 -0.02 6.67 0.01 -0.36 0.93 114.94 126.11 1s3r s ASN 404 Ca -0.08 -0.58 0.03 0.00 -0.71 0.00 0.00 52.86 51.52 1s3r s ASN 404 Cb -0.15 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 1s3r s ASN 404 CO -0.00 0.05 -0.08 0.20 -1.51 0.00 0.00 177.10 175.76 1s3r s ASN 405 N 0.93 4.51 0.12 -1.22 0.01 -0.39 -0.95 114.94 117.95 1s3r s ASN 405 Ca -0.05 -0.13 -0.14 0.00 -0.71 0.00 0.00 52.86 51.83 1s3r s ASN 405 Cb -0.15 -1.05 0.03 0.00 0.41 0.00 0.00 41.25 40.48 1s3r s ASN 405 CO -0.04 0.31 0.35 0.28 -1.51 0.00 0.00 177.10 176.50 1s3r s THR 406 N -0.90 0.08 0.06 1.60 -1.32 -0.72 -0.70 115.64 113.74 1s3r s THR 406 Ca 0.15 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 1s3r s THR 406 Cb -0.11 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 1s3r s THR 406 CO 0.05 -0.39 0.19 -1.81 -2.21 0.00 0.00 174.62 170.45 1s3r s ASP 407 N -2.82 6.26 0.18 8.08 1.11 0.42 -1.06 116.67 128.84 1s3r s ASP 407 Ca 0.04 0.24 -0.22 0.00 0.18 0.00 0.00 52.55 52.79 1s3r s ASP 407 Cb 0.02 -1.91 0.06 0.00 1.07 0.00 0.00 42.92 42.17 1s3r s ASP 407 CO -0.11 0.18 0.61 -0.72 1.18 0.00 0.00 175.17 176.31 1s3r s TYR 408 N -1.48 -0.45 -0.47 4.23 -0.85 0.43 -4.63 117.35 114.13 1s3r s TYR 408 Ca 0.34 0.19 -0.17 0.00 -0.52 0.00 0.00 57.07 56.91 1s3r s TYR 408 Cb -0.13 0.57 0.05 0.00 0.38 0.00 0.00 41.96 42.84 1s3r s TYR 408 CO 0.26 -0.92 0.47 0.42 -1.52 0.00 0.00 175.55 174.27 1s3r s ILE 409 N -3.79 5.09 0.31 -3.49 -1.09 -1.26 -0.10 121.20 116.87 1s3r s ILE 409 Ca 0.03 -0.69 -0.28 0.00 -2.23 0.00 0.00 60.65 57.48 1s3r s ILE 409 Cb -0.02 -4.15 -0.09 0.00 -1.58 0.00 0.00 42.46 36.62 1s3r s ILE 409 CO -0.09 -0.60 1.10 -0.70 -1.23 0.00 0.00 174.94 173.42 1s3r s GLU 410 N 2.08 4.52 -0.31 2.79 2.12 -0.10 -4.83 118.70 124.97 1s3r s GLU 410 Ca 0.10 1.77 0.02 0.00 0.36 0.00 0.00 54.97 57.22 1s3r s GLU 410 Cb -0.21 -3.05 0.09 0.00 0.26 0.00 0.00 34.13 31.22 1s3r s GLU 410 CO 0.10 0.11 0.04 0.99 -0.54 0.00 0.00 175.26 175.96 1s3r s THR 411 N -1.26 1.78 -0.17 -1.70 2.01 -1.26 -2.05 115.64 112.99 1s3r s THR 411 Ca 0.47 -1.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.44 1s3r s THR 411 Cb -0.30 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1s3r s THR 411 CO 0.39 -0.50 0.44 -0.54 -0.69 0.00 0.00 174.62 173.72 1s3r s LYS 412 N 1.18 4.24 -0.16 4.92 3.01 -0.43 -4.94 119.74 127.57 1s3r s LYS 412 Ca 0.07 0.32 -0.05 0.00 -1.01 0.00 0.00 55.97 55.30 1s3r s LYS 412 Cb -0.19 -3.50 -0.03 0.00 -1.01 0.00 0.00 37.83 33.10 1s3r s LYS 412 CO -0.12 0.03 0.01 0.08 0.51 0.00 0.00 175.35 175.86 1s3r s VAL 413 N 1.08 4.35 0.05 3.17 1.01 -1.26 -0.86 120.40 127.93 1s3r s VAL 413 Ca 0.22 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1s3r s VAL 413 Cb -0.15 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1s3r s VAL 413 CO 0.09 0.50 -0.08 -0.89 0.00 0.00 0.00 175.10 174.72 1s3r s THR 414 N 0.15 0.56 -0.09 3.92 2.01 -0.85 -4.82 115.64 116.52 1s3r s THR 414 Ca 0.02 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 1s3r s THR 414 Cb -0.13 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.73 1s3r s THR 414 CO 0.02 -0.40 -0.03 -0.55 -0.69 0.00 0.00 174.62 172.96 1s3r s SER 415 N -1.66 1.84 -0.27 3.53 0.15 -1.26 -0.78 113.70 115.24 1s3r s SER 415 Ca -0.09 -0.18 -0.06 0.00 0.70 0.00 0.00 55.95 56.32 1s3r s SER 415 Cb -0.09 -0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1s3r s SER 415 CO 0.00 -0.17 0.06 -0.31 1.20 0.00 0.00 173.24 174.02 1s3r s TYR 416 N 1.87 3.10 0.54 3.44 1.51 -1.10 -4.94 117.35 121.77 1s3r s TYR 416 Ca 0.05 -0.84 -0.06 0.00 -1.01 0.00 0.00 57.07 55.21 1s3r s TYR 416 Cb -0.12 -2.23 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1s3r s TYR 416 CO -0.06 -0.52 0.86 0.15 -1.11 0.00 0.00 175.55 174.87 1s3r s LYS 417 N 1.52 3.28 0.43 -0.62 -0.14 -1.26 -1.98 119.74 120.97 1s3r s LYS 417 Ca 0.04 0.17 -0.24 0.00 -1.36 0.00 0.00 55.97 54.58 1s3r s LYS 417 Cb -0.16 -2.30 -0.10 0.00 -1.68 0.00 0.00 37.83 33.59 1s3r s LYS 417 CO 0.02 -0.46 1.08 -0.25 -0.76 0.00 0.00 175.35 174.98 1s3r n ASP 418 N -2.45 1.56 -3.99 2.83 10.43 0.14 -4.42 116.55 120.64 1s3r n ASP 418 Ca 0.03 1.04 -0.09 0.00 2.57 0.00 0.00 54.79 58.33 1s3r n ASP 418 Cb 0.56 -1.39 -0.08 0.00 1.84 0.00 0.00 41.12 42.05 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 -0.73 0.54 0.11 0.44 0.00 -0.65 -4.28 107.32 102.76 1s3r s GLY 419 Ca 0.64 -1.00 0.05 0.00 0.00 0.00 0.00 44.72 44.41 1s3r s GLY 419 CO 0.56 -0.98 -0.12 0.00 0.00 0.00 0.00 173.10 172.57 1s3r s ALA 420 N -3.97 1.32 -0.24 3.20 0.00 0.07 -0.89 121.76 121.25 1s3r s ALA 420 Ca 0.17 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1s3r s ALA 420 Cb 0.05 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.23 1s3r s ALA 420 CO -0.02 0.01 0.05 -1.17 0.00 0.00 0.00 175.76 174.64 1s3r s LEU 421 N -2.55 1.76 -0.27 0.00 2.96 0.10 -1.94 118.68 118.74 1s3r s LEU 421 Ca 0.08 -1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 52.67 1s3r s LEU 421 Cb -0.03 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 1s3r s LEU 421 CO 0.01 -0.34 0.33 -0.89 -1.32 0.00 0.00 176.35 174.14 1s3r s THR 422 N 1.71 5.21 -0.26 3.68 2.01 -0.40 -1.70 115.64 125.89 1s3r s THR 422 Ca 0.02 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.40 1s3r s THR 422 Cb -0.17 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1s3r s THR 422 CO -0.15 0.18 0.16 -0.76 -0.69 0.00 0.00 174.62 173.37 1s3r s LEU 423 N 1.96 3.95 -0.17 4.42 1.43 -0.52 -1.16 118.68 128.59 1s3r s LEU 423 Ca 0.13 -0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1s3r s LEU 423 Cb -0.16 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1s3r s LEU 423 CO 0.10 -0.01 -0.15 0.20 0.23 0.00 0.00 176.35 176.73 1s3r s ASN 424 N 1.48 3.62 -0.20 2.29 0.01 -0.81 -2.59 114.94 118.74 1s3r s ASN 424 Ca 0.07 -0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.68 1s3r s ASN 424 Cb -0.15 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 1s3r s ASN 424 CO 0.08 0.05 -0.05 -2.28 -1.51 0.00 0.00 177.10 173.38 1s3r s HIS 425 N 1.05 2.94 0.00 2.20 5.65 -0.92 -0.44 115.29 125.77 1s3r s HIS 425 Ca -0.01 -0.80 0.00 0.00 0.25 0.00 0.00 55.06 54.50 1s3r s HIS 425 Cb -0.15 -2.05 0.00 0.00 -1.18 0.00 0.00 32.58 29.21 1s3r s HIS 425 CO -0.04 -0.43 0.49 -0.25 -0.65 0.00 0.00 174.74 173.86 1s3r n ASP 426 N 4.43 0.55 -4.89 9.88 8.00 -0.95 -2.80 116.55 130.77 1s3r n ASP 426 Ca -0.18 -1.21 -0.29 0.00 0.71 0.00 0.00 54.79 53.81 1s3r n ASP 426 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.21 1.74 -0.09 0.44 0.00 -1.26 -4.60 107.32 103.35 1s3r s GLY 427 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.40 1s3r s GLY 427 CO 0.00 -0.15 1.20 0.00 0.00 0.00 0.00 173.10 174.16 1s3r n ALA 428 N -1.76 3.13 -2.37 3.20 0.00 -1.15 -4.50 120.51 117.06 1s3r n ALA 428 Ca 0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1s3r n ALA 428 Cb 0.54 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.62 1.66 -0.52 0.00 -0.12 -1.26 -4.72 117.98 112.39 1s3r s PHE 429 Ca 0.11 -1.34 -0.18 0.00 -0.05 0.00 0.00 56.93 55.46 1s3r s PHE 429 Cb 0.09 -0.93 0.08 0.00 -0.63 0.00 0.00 43.02 41.63 1s3r s PHE 429 CO 0.02 -0.47 0.58 0.08 -0.05 0.00 0.00 175.22 175.38 1s3r s VAL 430 N -3.51 4.98 0.58 -2.49 1.01 -1.26 -4.81 120.40 114.90 1s3r s VAL 430 Ca 0.34 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1s3r s VAL 430 Cb 0.05 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1s3r s VAL 430 CO 0.17 -0.83 0.85 0.00 0.00 0.00 0.00 175.10 175.29 1s3r s ALA 431 N 2.31 3.51 -0.27 5.51 0.00 -1.16 -1.82 121.76 129.83 1s3r s ALA 431 Ca 0.10 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1s3r s ALA 431 Cb -0.23 -2.38 0.16 0.00 0.00 0.00 0.00 23.12 20.68 1s3r s ALA 431 CO 0.08 -0.81 0.46 1.03 0.00 0.00 0.00 175.76 176.52 1s3r s ARG 432 N -4.90 0.44 0.34 0.00 0.52 0.24 -1.72 118.95 113.86 1s3r s ARG 432 Ca 0.55 0.57 -0.10 0.00 -0.52 0.00 0.00 55.73 56.23 1s3r s ARG 432 Cb -0.10 -0.12 -0.07 0.00 0.52 0.00 0.00 34.95 35.18 1s3r s ARG 432 CO 0.42 -0.75 0.69 -0.06 0.02 0.00 0.00 175.30 175.61 1s3r s PHE 433 N 2.65 3.45 -0.17 -0.53 0.40 -1.26 -0.99 117.98 121.52 1s3r s PHE 433 Ca 0.14 0.97 -0.04 0.00 -0.60 0.00 0.00 56.93 57.40 1s3r s PHE 433 Cb -0.14 -2.36 0.08 0.00 0.51 0.00 0.00 43.02 41.11 1s3r s PHE 433 CO -0.21 0.04 0.28 0.71 0.70 0.00 0.00 175.22 176.73 1s3r s TYR 434 N -2.16 -0.46 -0.07 0.36 1.51 0.08 -1.40 117.35 115.21 1s3r s TYR 434 Ca 0.50 0.76 0.04 0.00 -1.01 0.00 0.00 57.07 57.35 1s3r s TYR 434 Cb -0.10 -0.11 0.00 0.00 -0.11 0.00 0.00 41.96 41.64 1s3r s TYR 434 CO 0.27 -0.49 -0.20 0.08 -1.11 0.00 0.00 175.55 174.10 1s3r s VAL 435 N 2.42 1.72 0.12 0.71 1.01 -1.26 -0.77 120.40 124.35 1s3r s VAL 435 Ca 0.05 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1s3r s VAL 435 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1s3r s VAL 435 CO -0.11 0.49 -0.10 -0.31 0.00 0.00 0.00 175.10 175.07 1s3r s TYR 436 N 0.26 1.15 0.08 5.22 1.51 -0.59 -1.26 117.35 123.73 1s3r s TYR 436 Ca -0.12 -0.73 -0.27 0.00 -1.01 0.00 0.00 57.07 54.93 1s3r s TYR 436 Cb -0.15 -0.61 0.08 0.00 -0.11 0.00 0.00 41.96 41.17 1s3r s TYR 436 CO 0.06 0.03 1.05 1.67 -1.11 0.00 0.00 175.55 177.24 1s3r s TRP 437 N -3.01 -0.13 0.25 2.71 -2.14 -0.32 -0.24 118.94 116.07 1s3r s TRP 437 Ca 0.12 -0.10 0.09 0.00 2.66 0.00 0.00 56.10 58.87 1s3r s TRP 437 Cb 0.01 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.94 1s3r s TRP 437 CO -0.00 -0.63 0.01 -1.21 -2.66 0.00 0.00 176.95 172.46 1s3r s GLU 438 N -3.01 2.36 -0.22 3.25 2.02 0.01 0.47 118.70 123.58 1s3r s GLU 438 Ca 0.12 -1.35 -0.02 0.00 0.02 0.00 0.00 54.97 53.75 1s3r s GLU 438 Cb 0.00 -2.22 0.06 0.00 0.10 0.00 0.00 34.13 32.08 1s3r s GLU 438 CO -0.01 0.38 0.01 -2.00 0.02 0.00 0.00 175.26 173.67 1s3r s GLU 439 N -3.60 0.94 0.01 1.61 2.12 0.00 -2.25 118.70 117.53 1s3r s GLU 439 Ca 0.31 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1s3r s GLU 439 Cb -0.07 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.03 1s3r s GLU 439 CO 0.20 -0.66 1.24 -0.51 -0.54 0.00 0.00 175.26 175.00 1s3r s LEU 440 N 1.70 4.33 0.00 2.70 2.01 -0.44 -1.82 118.68 127.17 1s3r s LEU 440 Ca -0.02 1.98 0.00 0.00 0.01 0.00 0.00 54.13 56.10 1s3r s LEU 440 Cb -0.18 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.46 1s3r s LEU 440 CO -0.09 -0.56 0.00 0.61 1.01 0.00 0.00 176.35 177.32 1s3r n GLY 441 N 3.36 5.04 3.23 -3.19 0.00 -0.55 -4.86 105.19 108.21 1s3r n GLY 441 Ca 0.10 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.11 1.17 0.10 1.61 0.09 -1.26 -1.04 115.29 114.85 1s3r s HIS 442 Ca 0.00 -0.78 0.01 0.00 -0.00 0.00 0.00 55.06 54.29 1s3r s HIS 442 Cb 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 32.58 31.99 1s3r s HIS 442 CO 0.00 0.03 0.14 -0.40 -0.00 0.00 0.00 174.74 174.51 1s3r n ASP 443 N -0.10 0.29 -0.08 1.40 5.68 -0.32 -4.80 116.55 118.63 1s3r n ASP 443 Ca -0.11 -1.22 -0.13 0.00 -0.50 0.00 0.00 54.79 52.83 1s3r n ASP 443 Cb 0.60 -0.08 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.07 0.34 0.00 2.12 0.00 -2.02 -2.55 119.26 117.22 1s3r h ALA 444 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1s3r h ALA 444 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s3r h ALA 444 CO 0.06 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1s3r n ASP 445 N -4.42 0.00 0.00 0.00 8.00 -1.26 -4.87 116.55 114.00 1s3r n ASP 445 Ca -0.05 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1s3r n ASP 445 Cb 0.40 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1s3r n ASP 445 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s3r n GLY 446 N -0.28 3.32 3.72 0.44 0.00 -0.96 -5.06 105.19 106.37 1s3r n GLY 446 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.43 2.13 0.12 1.61 1.51 -1.26 -4.58 117.35 114.45 1s3r s TYR 447 Ca 0.00 1.66 -0.27 0.00 -1.01 0.00 0.00 57.07 57.45 1s3r s TYR 447 Cb 0.00 -3.18 -0.07 0.00 -0.11 0.00 0.00 41.96 38.60 1s3r s TYR 447 CO 0.00 -2.27 0.84 -1.21 -1.11 0.00 0.00 175.55 171.80 1s3r s GLU 448 N -4.79 4.61 0.17 -0.62 2.02 -1.26 -1.17 118.70 117.66 1s3r s GLU 448 Ca 0.64 1.24 0.08 0.00 0.02 0.00 0.00 54.97 56.95 1s3r s GLU 448 Cb -0.20 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1s3r s GLU 448 CO 0.57 0.37 -0.03 0.95 0.02 0.00 0.00 175.26 177.14 1s3r s THR 449 N -0.46 3.56 -0.17 3.63 -4.23 -0.21 -4.88 115.64 112.89 1s3r s THR 449 Ca 0.40 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1s3r s THR 449 Cb -0.23 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 70.86 1s3r s THR 449 CO 0.27 -0.10 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.50 1s3r s ILE 450 N -1.71 1.53 -0.19 2.99 1.01 -1.26 -1.49 121.20 122.08 1s3r s ILE 450 Ca 0.27 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1s3r s ILE 450 Cb -0.09 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1s3r s ILE 450 CO 0.17 0.32 -0.04 -0.13 0.00 0.00 0.00 174.94 175.27 1s3r s ARG 451 N 1.48 3.49 -0.05 2.79 3.00 -0.75 -4.89 118.95 124.01 1s3r s ARG 451 Ca 0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 55.73 54.89 1s3r s ARG 451 Cb -0.14 -2.96 -0.03 0.00 0.00 0.00 0.00 34.95 31.82 1s3r s ARG 451 CO -0.09 -0.01 0.91 -1.12 0.00 0.00 0.00 175.30 174.98 1s3r s SER 452 N 1.01 7.22 0.13 0.23 0.01 -1.26 -0.82 113.70 120.23 1s3r s SER 452 Ca 0.01 1.48 0.07 0.00 1.31 0.00 0.00 55.95 58.82 1s3r s SER 452 Cb -0.15 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1s3r s SER 452 CO 0.01 -0.27 -0.15 -0.13 0.41 0.00 0.00 173.24 173.10 1s3r s ARG 453 N 1.24 1.10 0.18 12.44 0.52 0.18 -4.98 118.95 129.63 1s3r s ARG 453 Ca 0.47 -1.29 0.07 0.00 -0.52 0.00 0.00 55.73 54.45 1s3r s ARG 453 Cb -0.19 -1.05 -0.05 0.00 0.52 0.00 0.00 34.95 34.18 1s3r s ARG 453 CO 0.22 0.21 -0.13 -1.54 0.02 0.00 0.00 175.30 174.08 1s3r s SER 454 N -2.51 2.32 0.42 0.23 1.04 -1.26 -1.17 113.70 112.76 1s3r s SER 454 Ca 0.11 -1.01 -0.23 0.00 0.48 0.00 0.00 55.95 55.29 1s3r s SER 454 Cb -0.05 -0.10 -0.09 0.00 0.10 0.00 0.00 66.02 65.88 1s3r s SER 454 CO 0.04 -0.22 1.05 0.86 0.98 0.00 0.00 173.24 175.95 1s3r s TRP 455 N -3.06 3.21 0.37 5.02 -0.00 -0.39 -4.94 118.94 119.15 1s3r s TRP 455 Ca 0.20 1.63 0.18 0.00 -0.00 0.00 0.00 56.10 58.11 1s3r s TRP 455 Cb 0.00 -3.11 0.96 0.00 -0.00 0.00 0.00 33.47 31.32 1s3r s TRP 455 CO 0.05 -0.66 1.91 0.66 -0.00 0.00 0.00 176.95 178.91 1s3r h SER 456 N 2.31 0.00 -0.43 5.86 4.64 -2.01 -2.98 113.55 120.94 1s3r h SER 456 Ca -0.49 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.66 1s3r h SER 456 Cb 1.22 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1s3r h SER 456 CO 0.62 0.27 0.23 0.61 -0.87 0.00 0.00 176.83 177.68 1s3r n GLY 457 N -0.54 2.93 3.66 -0.77 0.00 -1.26 -4.96 105.19 104.25 1s3r n GLY 457 Ca -0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.21 6.99 -0.14 1.61 -0.87 -1.13 -3.71 114.94 117.48 1s3r s ASN 458 Ca 0.28 1.60 0.00 0.00 -1.57 0.00 0.00 52.86 53.17 1s3r s ASN 458 Cb 0.23 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.92 1s3r s ASN 458 CO 0.06 -0.73 0.00 0.61 -2.57 0.00 0.00 177.10 174.47 1s3r n GLY 459 N 3.52 0.51 3.83 0.66 0.00 -0.49 -5.02 105.19 108.19 1s3r n GLY 459 Ca 0.13 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.97 3.33 0.10 1.61 1.51 -1.24 -4.98 117.35 115.70 1s3r s TYR 460 Ca 0.00 1.52 -0.30 0.00 -1.01 0.00 0.00 57.07 57.28 1s3r s TYR 460 Cb 0.00 -2.78 -0.06 0.00 -0.11 0.00 0.00 41.96 39.01 1s3r s TYR 460 CO 0.00 -0.08 1.16 -0.80 -1.11 0.00 0.00 175.55 174.72 1s3r s ASN 461 N -2.23 7.15 -0.07 2.29 0.01 -1.26 -4.40 114.94 116.42 1s3r s ASN 461 Ca 0.60 2.03 0.02 0.00 -0.71 0.00 0.00 52.86 54.81 1s3r s ASN 461 Cb -0.09 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 1s3r s ASN 461 CO 0.14 -0.38 -0.13 -0.13 -1.51 0.00 0.00 177.10 175.10 1s3r s ARG 462 N 0.54 2.74 0.00 -0.60 1.81 -0.70 -5.00 118.95 117.75 1s3r s ARG 462 Ca 0.55 -0.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.89 1s3r s ARG 462 Cb -0.29 -2.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 1s3r s ARG 462 CO 0.31 0.53 0.00 0.41 -0.68 0.00 0.00 175.30 175.88 1s3r n GLY 463 N 2.58 1.80 0.35 -3.53 0.00 -1.26 -2.97 105.19 102.16 1s3r n GLY 463 Ca -0.17 -2.09 -0.02 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 0.02 1.20 -0.61 4.61 0.00 -1.84 -3.14 119.26 119.50 1s3r h ALA 464 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s3r h ALA 464 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1s3r h ALA 464 CO 0.00 0.51 0.00 0.72 0.00 0.00 0.00 179.25 180.48 1s3r n HIS 465 N -4.47 0.95 -1.51 0.00 8.25 -1.25 -3.42 115.22 113.76 1s3r n HIS 465 Ca 0.11 -0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 56.62 1s3r n HIS 465 Cb 0.06 -0.07 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 1.19 0.18 -3.47 4.41 9.36 -1.12 -4.85 117.16 122.86 1s3r n TYR 466 Ca 0.21 0.60 -0.14 0.00 3.32 0.00 0.00 57.90 61.90 1s3r n TYR 466 Cb 0.64 -2.08 -0.04 0.00 -0.63 0.00 0.00 39.34 37.23 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 -0.87 -0.56 -0.21 2.98 0.15 -1.26 -2.17 113.70 111.75 1s3r s SER 467 Ca 0.63 0.19 -0.35 0.00 0.70 0.00 0.00 55.95 57.12 1s3r s SER 467 Cb -0.60 0.57 0.15 0.00 -1.71 0.00 0.00 66.02 64.42 1s3r s SER 467 CO 0.57 -0.84 1.25 0.28 1.20 0.00 0.00 173.24 175.69 1s3r s THR 468 N -2.95 0.00 -0.07 6.45 -1.32 -1.07 -5.00 115.64 111.69 1s3r s THR 468 Ca -0.03 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.44 1s3r s THR 468 Cb -0.01 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1s3r s THR 468 CO -0.06 0.00 0.00 -0.89 -2.21 0.00 0.00 174.62 171.47 1s3r s THR 469 N -2.23 0.34 -0.20 5.08 2.01 -1.26 -1.44 115.64 117.93 1s3r s THR 469 Ca 0.10 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 1s3r s THR 469 Cb -0.01 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 1s3r s THR 469 CO -0.04 0.25 0.17 -0.76 -0.69 0.00 0.00 174.62 173.54 1s3r s LEU 470 N 1.93 4.20 -0.17 4.42 1.43 -0.69 -4.93 118.68 124.88 1s3r s LEU 470 Ca 0.04 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1s3r s LEU 470 Cb -0.12 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1s3r s LEU 470 CO -0.05 0.14 0.02 -0.13 0.23 0.00 0.00 176.35 176.56 1s3r s ARG 471 N 0.53 3.82 -0.07 1.70 0.52 -1.26 -0.72 118.95 123.46 1s3r s ARG 471 Ca 0.09 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 1s3r s ARG 471 Cb -0.12 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1s3r s ARG 471 CO 0.00 0.29 -0.20 -0.06 0.02 0.00 0.00 175.30 175.35 1s3r s PHE 472 N 0.29 2.57 0.75 -0.53 0.40 -0.07 -5.02 117.98 116.37 1s3r s PHE 472 Ca 0.01 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 55.67 1s3r s PHE 472 Cb -0.13 -1.66 0.09 0.00 0.51 0.00 0.00 43.02 41.84 1s3r s PHE 472 CO 0.01 -0.14 1.07 0.15 0.70 0.00 0.00 175.22 177.01 1s3r s LYS 473 N -0.17 1.89 0.61 0.44 1.02 -1.26 -1.64 119.74 120.64 1s3r s LYS 473 Ca -0.02 -0.36 0.39 0.00 0.02 0.00 0.00 55.97 56.00 1s3r s LYS 473 Cb -0.14 -2.13 1.99 0.00 -0.52 0.00 0.00 37.83 37.04 1s3r s LYS 473 CO 0.04 -1.46 2.22 0.78 -0.92 0.00 0.00 175.35 176.01 1s3r h GLY 474 N -0.77 0.00 -2.35 -3.33 0.00 -1.77 -3.14 103.07 91.71 1s3r h GLY 474 Ca -0.44 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 1s3r h GLY 474 CO 0.55 0.00 0.14 1.16 0.00 0.00 0.00 176.54 178.39 1s3r n ASN 475 N -3.18 2.99 -4.60 0.19 6.94 -1.26 -4.72 115.26 111.61 1s3r n ASN 475 Ca -0.02 -2.40 -0.33 0.00 -0.02 0.00 0.00 54.58 51.82 1s3r n ASN 475 Cb 0.16 -0.58 -0.10 0.00 -2.36 0.00 0.00 39.78 36.89 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 -1.04 3.73 0.29 3.53 1.01 -1.19 -1.33 120.40 125.40 1s3r s VAL 476 Ca 0.15 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1s3r s VAL 476 Cb 0.13 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1s3r s VAL 476 CO 0.03 0.43 0.54 0.00 0.00 0.00 0.00 175.10 176.10 1s3r s ARG 477 N -1.32 1.76 -1.22 2.72 1.70 -0.95 -4.93 118.95 116.70 1s3r s ARG 477 Ca 0.16 -1.40 -0.06 0.00 -0.47 0.00 0.00 55.73 53.97 1s3r s ARG 477 Cb -0.11 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1s3r s ARG 477 CO 0.07 -0.75 1.05 0.09 -1.08 0.00 0.00 175.30 174.67 1s3r n ASN 478 N -0.81 -4.74 -4.69 -2.89 4.13 -1.26 -0.81 115.26 104.18 1s3r n ASN 478 Ca -0.02 -0.53 -0.42 0.00 1.68 0.00 0.00 54.58 55.29 1s3r n ASN 478 Cb 0.61 -4.75 -0.03 0.00 -1.54 0.00 0.00 39.78 34.07 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 -3.31 4.34 -0.17 2.41 1.01 -1.26 -4.12 121.20 120.10 1s3r s ILE 479 Ca 0.37 1.66 -0.00 0.00 0.00 0.00 0.00 60.65 62.67 1s3r s ILE 479 Cb -0.16 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1s3r s ILE 479 CO 0.68 0.03 -0.05 -0.13 0.00 0.00 0.00 174.94 175.47 1s3r s ARG 480 N 1.89 1.47 -0.18 2.79 0.52 0.67 0.33 118.95 126.43 1s3r s ARG 480 Ca 0.55 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 55.14 1s3r s ARG 480 Cb -0.24 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.12 1s3r s ARG 480 CO 0.23 -0.45 -0.01 0.08 0.02 0.00 0.00 175.30 175.17 1s3r s VAL 481 N 1.61 4.00 -0.04 3.52 1.01 -0.39 -1.55 120.40 128.56 1s3r s VAL 481 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1s3r s VAL 481 Cb -0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1s3r s VAL 481 CO -0.08 0.46 -0.23 -0.54 0.00 0.00 0.00 175.10 174.71 1s3r s LYS 482 N 0.69 2.12 -0.05 2.72 1.02 0.05 -1.22 119.74 125.06 1s3r s LYS 482 Ca -0.01 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.20 1s3r s LYS 482 Cb -0.14 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1s3r s LYS 482 CO 0.02 0.40 -0.13 0.08 -0.92 0.00 0.00 175.35 174.80 1s3r s VAL 483 N -0.27 1.16 -0.15 3.17 1.01 -0.25 -0.74 120.40 124.34 1s3r s VAL 483 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1s3r s VAL 483 Cb -0.11 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1s3r s VAL 483 CO 0.02 0.35 -0.18 -0.76 0.00 0.00 0.00 175.10 174.53 1s3r s LEU 484 N 0.37 1.90 0.15 3.92 1.43 -0.16 -2.08 118.68 124.21 1s3r s LEU 484 Ca -0.09 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1s3r s LEU 484 Cb -0.13 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1s3r s LEU 484 CO 0.03 0.01 0.09 -0.83 0.23 0.00 0.00 176.35 175.87 1s3r s GLY 485 N 1.17 1.78 -0.06 -3.19 0.00 -1.17 -0.59 107.32 105.25 1s3r s GLY 485 Ca -0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 44.72 43.26 1s3r s GLY 485 CO -0.07 -1.22 0.74 0.00 0.00 0.00 0.00 173.10 172.55 1s3r s ALA 486 N -1.66 3.32 -0.53 3.20 0.00 -0.76 -2.45 121.76 122.88 1s3r s ALA 486 Ca 0.29 0.18 0.16 0.00 0.00 0.00 0.00 51.96 52.59 1s3r s ALA 486 Cb -0.10 -3.01 0.75 0.00 0.00 0.00 0.00 23.12 20.75 1s3r s ALA 486 CO 0.22 -0.14 1.66 0.25 0.00 0.00 0.00 175.76 177.75 1s3r n THR 487 N 3.84 2.38 -3.73 0.00 -2.24 -0.49 -4.64 114.28 109.40 1s3r n THR 487 Ca -0.00 -1.40 -0.26 0.00 -2.27 0.00 0.00 64.05 60.12 1s3r n THR 487 Cb 0.51 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1s3r n THR 487 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s3r n GLY 488 N 0.63 -0.17 3.31 3.38 0.00 -1.26 -4.90 105.19 106.18 1s3r n GLY 488 Ca 0.26 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 -5.80 1.60 0.00 0.99 0.05 -1.26 -5.13 118.68 109.13 1s3r s LEU 489 Ca 0.27 -1.47 0.00 0.00 0.05 0.00 0.00 54.13 52.97 1s3r s LEU 489 Cb -0.16 0.16 0.00 0.00 -2.05 0.00 0.00 46.19 44.14 1s3r s LEU 489 CO 0.72 -0.82 0.14 0.00 -0.55 0.00 0.00 176.35 175.83 1s3r n ALA 490 N -0.50 -0.04 -1.77 1.48 0.00 -1.26 -4.32 120.51 114.11 1s3r n ALA 490 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1s3r n ALA 490 Cb 0.65 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 1s3r n ALA 490 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1s3r n TRP 491 N -1.02 1.90 -0.41 0.00 7.02 -1.26 -4.34 117.44 119.33 1s3r n TRP 491 Ca 0.00 -0.97 0.00 0.00 -1.02 0.00 0.00 57.50 55.51 1s3r n TRP 491 Cb 0.00 -2.48 0.00 0.00 -2.42 0.00 0.00 31.31 26.41 1s3r n TRP 491 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1s3r n GLU 492 N 8.13 0.00 -0.04 -0.99 0.00 -1.26 -5.06 120.64 121.43 1s3r n GLU 492 Ca 0.44 0.30 0.05 0.00 0.00 0.00 0.00 57.16 57.95 1s3r n GLU 492 Cb 0.46 -0.10 0.06 0.00 0.00 0.00 0.00 31.44 31.86 1s3r n GLU 492 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1s3r n PRO 493 N 1.18 0.96 -4.24 5.31 -0.04 -1.26 -4.63 135.00 132.27 1s3r n PRO 493 Ca 0.00 -1.30 -0.21 0.00 -0.04 0.00 0.00 63.50 61.94 1s3r n PRO 493 Cb 0.00 -1.21 -0.12 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.88 1.55 -0.01 0.54 0.52 -1.26 -1.40 118.94 117.99 1s3r s TRP 494 Ca 0.14 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.83 1s3r s TRP 494 Cb 0.09 -0.84 0.00 0.00 -1.15 0.00 0.00 33.47 31.57 1s3r s TRP 494 CO 0.13 0.16 -0.06 1.03 0.02 0.00 0.00 176.95 178.23 1s3r s ARG 495 N -2.00 0.61 -0.71 4.98 1.81 -1.03 -4.95 118.95 117.66 1s3r s ARG 495 Ca 0.04 -0.20 -0.26 0.00 -1.72 0.00 0.00 55.73 53.59 1s3r s ARG 495 Cb -0.09 -0.60 -0.11 0.00 -0.45 0.00 0.00 34.95 33.69 1s3r s ARG 495 CO 0.04 0.09 2.39 -0.51 -0.68 0.00 0.00 175.30 176.63 1s3r s LEU 496 N 0.11 3.02 0.08 2.53 1.43 -1.26 -3.03 118.68 121.56 1s3r s LEU 496 Ca -0.01 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 1s3r s LEU 496 Cb -0.06 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 1s3r s LEU 496 CO -0.00 -3.57 1.40 0.40 0.23 0.00 0.00 176.35 174.81 1s3r h ILE 497 N 7.67 1.32 -2.37 -0.59 2.04 -1.81 -3.46 117.51 120.31 1s3r h ILE 497 Ca -0.07 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 1s3r h ILE 497 Cb 1.08 1.67 -0.24 0.00 -0.74 0.00 0.00 36.82 38.59 1s3r h ILE 497 CO 1.06 0.42 -0.21 -0.47 0.00 0.00 0.00 178.15 178.95 1s3r s TYR 498 N -4.38 -0.86 0.10 1.37 5.04 -1.25 -5.03 117.35 112.34 1s3r s TYR 498 Ca -0.13 1.69 0.06 0.00 -2.44 0.00 0.00 57.07 56.25 1s3r s TYR 498 Cb 0.07 0.44 -0.03 0.00 0.35 0.00 0.00 41.96 42.79 1s3r s TYR 498 CO 0.79 -0.46 -0.15 0.45 -1.34 0.00 0.00 175.55 174.84 1s3r s SER 499 N 1.88 1.95 -0.30 4.32 0.15 -1.26 -1.09 113.70 119.35 1s3r s SER 499 Ca -0.08 -0.70 -0.15 0.00 0.70 0.00 0.00 55.95 55.73 1s3r s SER 499 Cb -0.09 -0.07 0.16 0.00 -1.71 0.00 0.00 66.02 64.31 1s3r s SER 499 CO -0.15 -0.08 0.96 -0.75 1.20 0.00 0.00 173.24 174.42 1s3r s LYS 500 N -2.11 0.32 0.10 5.44 2.47 -0.36 -5.00 119.74 120.60 1s3r s LYS 500 Ca 0.03 0.78 0.02 0.00 -1.56 0.00 0.00 55.97 55.25 1s3r s LYS 500 Cb -0.08 0.44 -0.04 0.00 -1.46 0.00 0.00 37.83 36.69 1s3r s LYS 500 CO 0.03 -0.11 0.17 -0.80 0.16 0.00 0.00 175.35 174.80 1s3r s ASN 501 N 2.40 5.93 -1.04 1.43 0.02 -1.26 -1.27 114.94 121.16 1s3r s ASN 501 Ca -0.03 0.09 -0.03 0.00 -1.02 0.00 0.00 52.86 51.87 1s3r s ASN 501 Cb -0.06 -1.70 -0.03 0.00 0.02 0.00 0.00 41.25 39.47 1s3r s ASN 501 CO -0.17 0.13 0.88 -0.67 0.02 0.00 0.00 177.10 177.29 1s3r n ASP 502 N 0.09 -4.22 -4.69 -1.22 -0.08 -0.56 -4.94 116.55 100.93 1s3r n ASP 502 Ca -0.07 -0.61 -0.42 0.00 -1.51 0.00 0.00 54.79 52.17 1s3r n ASP 502 Cb 0.52 -4.81 -0.03 0.00 2.34 0.00 0.00 41.12 39.15 1s3r n ASP 502 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1s3r s LEU 503 N -5.60 4.29 0.26 -2.67 1.43 0.15 -4.80 118.68 111.74 1s3r s LEU 503 Ca 0.22 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.78 1s3r s LEU 503 Cb -0.03 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.51 1s3r s LEU 503 CO 0.68 -0.51 1.66 -2.65 0.23 0.00 0.00 176.35 175.76 1s3r n PRO 504 N 4.88 2.76 -2.37 1.29 -0.02 -1.26 -4.13 135.00 136.14 1s3r n PRO 504 Ca 0.10 0.99 -0.39 0.00 -2.02 0.00 0.00 63.50 62.17 1s3r n PRO 504 Cb 0.47 -2.80 -0.02 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.01 4.60 -4.80 2.45 7.94 -1.26 -4.95 117.00 123.99 1s3r n LEU 505 Ca 0.12 -3.73 -0.35 0.00 -1.11 0.00 0.00 56.01 50.93 1s3r n LEU 505 Cb 0.36 -1.73 -0.06 0.00 0.53 0.00 0.00 43.42 42.52 1s3r n LEU 505 CO 0.64 -0.27 0.59 -0.69 -1.11 0.00 0.00 177.39 176.55 1s3r s VAL 506 N 5.80 4.35 0.29 1.96 1.01 -1.26 -4.69 120.40 127.87 1s3r s VAL 506 Ca 0.57 1.58 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1s3r s VAL 506 Cb 0.04 -3.85 0.38 0.00 0.00 0.00 0.00 36.38 32.95 1s3r s VAL 506 CO 0.08 0.01 1.59 1.55 0.00 0.00 0.00 175.10 178.33 1s3r h PRO 507 N 2.81 0.05 -2.36 2.72 0.13 -1.89 -3.10 132.00 130.37 1s3r h PRO 507 Ca -0.48 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 1s3r h PRO 507 Cb 1.19 -0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.99 1s3r h PRO 507 CO 0.64 0.03 -0.51 -1.14 -0.23 0.00 0.00 178.00 176.79 1s3r s GLN 508 N -6.02 0.26 -0.09 0.86 2.00 -1.26 -0.75 119.66 114.65 1s3r s GLN 508 Ca -0.13 0.56 0.03 0.00 -2.00 0.00 0.00 55.36 53.83 1s3r s GLN 508 Cb 0.27 -0.46 0.00 0.00 0.80 0.00 0.00 33.01 33.62 1s3r s GLN 508 CO 0.77 -0.51 -0.20 0.50 -0.50 0.00 0.00 175.29 175.35 1s3r s ARG 509 N 2.47 2.65 -0.23 1.67 3.52 -0.82 -1.15 118.95 127.06 1s3r s ARG 509 Ca 0.07 -0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 54.84 1s3r s ARG 509 Cb -0.14 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.16 1s3r s ARG 509 CO -0.13 0.12 0.10 -0.80 -0.81 0.00 0.00 175.30 173.78 1s3r s ASN 510 N 0.48 5.63 -0.38 -2.12 -0.87 -0.59 -1.28 114.94 115.81 1s3r s ASN 510 Ca -0.17 -0.01 -0.02 0.00 -1.57 0.00 0.00 52.86 51.09 1s3r s ASN 510 Cb -0.17 -2.00 0.09 0.00 -0.02 0.00 0.00 41.25 39.15 1s3r s ASN 510 CO 0.07 0.06 0.15 -0.63 -2.57 0.00 0.00 177.10 174.17 1s3r s ILE 511 N 1.08 3.18 0.50 0.60 1.01 -0.31 -1.93 121.20 125.33 1s3r s ILE 511 Ca 0.05 -1.91 0.08 0.00 0.00 0.00 0.00 60.65 58.88 1s3r s ILE 511 Cb -0.14 -3.11 0.05 0.00 0.01 0.00 0.00 42.46 39.27 1s3r s ILE 511 CO 0.04 -0.55 0.64 -0.44 0.00 0.00 0.00 174.94 174.62 1s3r s SER 512 N 1.63 5.22 -0.02 3.58 0.01 -0.84 -1.92 113.70 121.37 1s3r s SER 512 Ca 0.05 -0.74 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 1s3r s SER 512 Cb -0.22 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1s3r s SER 512 CO -0.04 -1.06 0.32 -0.89 0.41 0.00 0.00 173.24 171.99 1s3r s THR 513 N -2.56 0.05 0.00 1.44 2.01 0.42 -3.11 115.64 113.89 1s3r s THR 513 Ca 0.55 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1s3r s THR 513 Cb -0.06 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.83 1s3r s THR 513 CO 0.34 -0.24 0.00 -2.67 -0.69 0.00 0.00 174.62 171.36 1s3r n TRP 514 N 1.39 -0.44 -0.64 4.92 2.14 -1.16 -2.24 117.44 121.40 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 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.06 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 0.48 3.55 -1.67 0.00 -1.26 -1.80 105.19 104.49 1s3r n GLY 515 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.15 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 1.40 0.41 2.61 -4.23 -1.16 -2.95 115.64 111.73 1s3r s THR 516 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 1s3r s THR 516 Cb 0.00 -2.74 0.30 0.00 1.34 0.00 0.00 72.50 71.40 1s3r s THR 516 CO 0.00 0.00 2.08 0.74 -0.54 0.00 0.00 174.62 176.90 1s3r h THR 517 N 1.86 0.55 0.03 3.99 2.02 -1.91 -2.97 112.91 116.48 1s3r h THR 517 Ca -0.42 -0.51 -0.21 0.00 0.77 0.00 0.00 66.41 66.05 1s3r h THR 517 Cb 1.25 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 1s3r h THR 517 CO 0.73 0.11 -1.10 -0.07 0.37 0.00 0.00 175.52 175.55 1s3r h LEU 518 N 0.00 0.09 -7.28 2.58 3.38 -1.96 -3.43 115.31 108.68 1s3r h LEU 518 Ca -0.00 -0.68 -0.69 0.00 0.09 0.00 0.00 57.88 56.60 1s3r h LEU 518 Cb 0.32 -0.03 -0.36 0.00 0.09 0.00 0.00 40.66 40.68 1s3r h LEU 518 CO 0.01 1.45 -0.15 -1.00 0.09 0.00 0.00 178.44 178.84 1s3r s HIS 519 N -2.37 3.87 -0.14 1.13 3.76 -1.14 -5.07 115.29 115.34 1s3r s HIS 519 Ca -0.25 -3.09 -0.29 0.00 -0.15 0.00 0.00 55.06 51.28 1s3r s HIS 519 Cb 0.04 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.52 1s3r s HIS 519 CO 0.65 -0.71 1.63 -1.25 -0.85 0.00 0.00 174.74 174.21 1s3r s PRO 520 N -1.40 3.97 0.57 8.40 0.04 -1.14 -2.98 135.00 142.45 1s3r s PRO 520 Ca 0.27 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.23 1s3r s PRO 520 Cb -0.07 -4.01 0.04 0.00 0.04 0.00 0.00 34.50 30.51 1s3r s PRO 520 CO -0.13 -1.09 0.81 -0.65 0.04 0.00 0.00 177.00 175.97 1s3r s GLN 521 N 4.39 2.44 -0.27 4.56 -1.52 -0.74 -5.01 119.66 123.50 1s3r s GLN 521 Ca 0.72 -0.81 -0.32 0.00 -1.95 0.00 0.00 55.36 53.00 1s3r s GLN 521 Cb -0.29 -2.46 0.18 0.00 -0.22 0.00 0.00 33.01 30.22 1s3r s GLN 521 CO 0.29 -0.81 1.34 -0.59 -0.25 0.00 0.00 175.29 175.26 1s3r s PHE 522 N -2.82 -0.05 -0.09 0.91 -0.12 -1.26 -3.01 117.98 111.54 1s3r s PHE 522 Ca 0.58 0.07 -0.04 0.00 -0.05 0.00 0.00 56.93 57.49 1s3r s PHE 522 Cb -0.10 0.50 0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1s3r s PHE 522 CO 0.39 -0.06 0.19 -2.00 -0.05 0.00 0.00 175.22 173.70 1s3r s GLU 523 N -1.43 0.13 -0.47 1.99 2.12 -1.18 -4.98 118.70 114.87 1s3r s GLU 523 Ca 0.09 0.49 -0.08 0.00 0.36 0.00 0.00 54.97 55.83 1s3r s GLU 523 Cb -0.01 -0.16 0.12 0.00 0.26 0.00 0.00 34.13 34.34 1s3r s GLU 523 CO -0.06 -0.19 0.33 0.34 -0.54 0.00 0.00 175.26 175.14 1s3r s ASP 524 N 1.47 5.63 0.01 -1.70 -1.08 -1.26 -1.98 116.67 117.76 1s3r s ASP 524 Ca -0.07 -1.99 0.07 0.00 -0.52 0.00 0.00 52.55 50.05 1s3r s ASP 524 Cb -0.11 -1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 39.35 1s3r s ASP 524 CO -0.07 -0.66 -0.21 -0.75 0.52 0.00 0.00 175.17 174.01 1s3r s LYS 525 N 1.25 1.53 0.18 4.34 2.20 -0.81 -5.04 119.74 123.39 1s3r s LYS 525 Ca 0.07 -0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 54.70 1s3r s LYS 525 Cb -0.25 -1.56 -0.07 0.00 -1.51 0.00 0.00 37.83 34.43 1s3r s LYS 525 CO -0.02 0.41 0.58 0.08 -0.36 0.00 0.00 175.35 176.05 1s3r s VAL 526 N -0.64 4.83 0.00 4.02 1.01 -1.26 -1.55 120.40 126.82 1s3r s VAL 526 Ca 0.08 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1s3r s VAL 526 Cb -0.08 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1s3r s VAL 526 CO 0.00 0.14 0.00 0.52 0.00 0.00 0.00 175.10 175.77 1s3r n VAL 527 N 0.51 0.00 -0.25 2.92 0.31 -0.30 -4.93 118.33 116.59 1s3r n VAL 527 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1s3r n VAL 527 Cb 0.52 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1s3r n VAL 527 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80