#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htn n TYR 45 N 0.00 -1.97 -4.48 1.20 0.18 -1.26 -4.95 117.16 105.87 3htn n TYR 45 Ca 0.00 0.37 -0.24 0.00 1.88 0.00 0.00 57.90 59.91 3htn n TYR 45 Cb 0.00 -1.12 -0.10 0.00 -0.38 0.00 0.00 39.34 37.74 3htn n TYR 45 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 3htn s SER 46 N -0.80 3.51 0.20 9.48 0.01 -0.17 -4.91 113.70 121.01 3htn s SER 46 Ca 0.30 -1.10 -0.23 0.00 1.31 0.00 0.00 55.95 56.23 3htn s SER 46 Cb 0.02 -0.30 0.05 0.00 0.21 0.00 0.00 66.02 66.01 3htn s SER 46 CO 0.57 -0.09 0.67 -0.72 0.41 0.00 0.00 173.24 174.08 3htn s TYR 47 N -2.62 -0.38 -0.05 2.43 1.13 -1.26 -1.02 117.35 115.58 3htn s TYR 47 Ca 0.30 0.08 0.01 0.00 -1.41 0.00 0.00 57.07 56.05 3htn s TYR 47 Cb -0.01 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.49 3htn s TYR 47 CO 0.15 -0.98 -0.04 0.21 -2.51 0.00 0.00 175.55 172.38 3htn s LYS 48 N -3.76 0.87 -0.13 -3.49 2.20 -0.07 -4.98 119.74 110.39 3htn s LYS 48 Ca 0.05 -0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.35 3htn s LYS 48 Cb -0.03 -0.90 -0.03 0.00 -1.51 0.00 0.00 37.83 35.35 3htn s LYS 48 CO -0.05 -0.10 0.60 0.21 -0.36 0.00 0.00 175.35 175.64 3htn s LYS 49 N 1.03 4.33 -0.33 4.03 2.20 -1.26 -0.52 119.74 129.23 3htn s LYS 49 Ca -0.09 0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 56.15 3htn s LYS 49 Cb -0.14 -3.49 0.11 0.00 -1.51 0.00 0.00 37.83 32.80 3htn s LYS 49 CO -0.01 0.00 0.12 0.42 -0.36 0.00 0.00 175.35 175.52 3htn s ILE 50 N 1.09 0.91 0.00 5.43 1.01 0.54 -5.00 121.20 125.19 3htn s ILE 50 Ca 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3htn s ILE 50 Cb -0.16 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3htn s ILE 50 CO 0.13 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.97 3htn n GLY 51 N 4.68 4.17 0.53 6.18 0.00 -1.26 -1.72 105.19 117.77 3htn n GLY 51 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3htn n GLY 51 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3htn n ASN 52 N 8.28 1.57 -4.35 1.61 6.94 -1.26 -4.86 115.26 123.19 3htn n ASN 52 Ca 0.00 -1.84 -0.24 0.00 -0.02 0.00 0.00 54.58 52.48 3htn n ASN 52 Cb 0.00 -0.15 -0.12 0.00 -2.36 0.00 0.00 39.78 37.15 3htn n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3htn s LYS 53 N -1.70 1.33 -0.10 -3.83 1.02 -0.70 -0.69 119.74 115.08 3htn s LYS 53 Ca 0.26 -1.39 0.04 0.00 0.02 0.00 0.00 55.97 54.90 3htn s LYS 53 Cb 0.14 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 3htn s LYS 53 CO 0.20 0.33 -0.23 0.71 -0.92 0.00 0.00 175.35 175.44 3htn s TYR 54 N -1.71 2.46 -0.35 3.18 2.02 0.76 -0.34 117.35 123.37 3htn s TYR 54 Ca 0.15 -1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 55.68 3htn s TYR 54 Cb -0.07 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3htn s TYR 54 CO 0.07 -0.41 0.44 0.42 -1.57 0.00 0.00 175.55 174.50 3htn s ILE 55 N 0.37 5.09 -0.20 2.71 -1.09 0.33 -0.62 121.20 127.79 3htn s ILE 55 Ca -0.18 0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 3htn s ILE 55 Cb -0.18 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 3htn s ILE 55 CO 0.08 -0.17 -0.07 -0.69 -1.23 0.00 0.00 174.94 172.86 3htn s VAL 56 N 2.20 3.28 -0.41 2.92 1.01 0.86 -0.89 120.40 129.38 3htn s VAL 56 Ca 0.15 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3htn s VAL 56 Cb -0.16 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.83 3htn s VAL 56 CO 0.13 0.45 0.23 -0.55 0.00 0.00 0.00 175.10 175.36 3htn s SER 57 N 1.16 5.56 0.36 3.32 0.15 -0.19 -0.81 113.70 123.25 3htn s SER 57 Ca 0.02 -1.50 -0.25 0.00 0.70 0.00 0.00 55.95 54.91 3htn s SER 57 Cb -0.14 -1.96 -0.09 0.00 -1.71 0.00 0.00 66.02 62.12 3htn s SER 57 CO -0.02 -0.51 1.02 -0.63 1.20 0.00 0.00 173.24 174.31 3htn s ILE 58 N 1.40 3.84 0.59 6.45 1.01 -0.32 -1.00 121.20 133.17 3htn s ILE 58 Ca 0.03 1.51 -0.18 0.00 0.00 0.00 0.00 60.65 62.01 3htn s ILE 58 Cb -0.23 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3htn s ILE 58 CO 0.02 0.10 1.13 0.20 0.00 0.00 0.00 174.94 176.39 3htn s ASN 59 N -1.48 5.42 0.75 3.58 0.01 -1.26 -4.41 114.94 117.54 3htn s ASN 59 Ca 0.53 2.14 -0.14 0.00 -0.71 0.00 0.00 52.86 54.69 3htn s ASN 59 Cb -0.22 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 38.91 3htn s ASN 59 CO 0.28 -1.43 1.16 0.21 -1.51 0.00 0.00 177.10 175.81 3htn s ASN 60 N -2.04 4.24 -1.89 -1.22 2.47 -1.26 -3.26 114.94 111.97 3htn s ASN 60 Ca 0.71 2.17 0.00 0.00 0.42 0.00 0.00 52.86 56.16 3htn s ASN 60 Cb -0.23 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.00 3htn s ASN 60 CO 0.33 -2.22 0.00 1.41 -3.72 0.00 0.00 177.10 172.90 3htn n HIS 61 N -3.01 -0.27 -4.46 0.43 8.25 -0.67 -4.98 115.22 110.52 3htn n HIS 61 Ca 0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.26 3htn n HIS 61 Cb 0.51 -3.34 -0.11 0.00 1.12 0.00 0.00 29.99 28.17 3htn n HIS 61 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3htn s THR 62 N -2.77 3.52 -0.29 1.59 2.01 -1.20 -4.79 115.64 113.70 3htn s THR 62 Ca 0.00 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 3htn s THR 62 Cb 0.00 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.98 3htn s THR 62 CO 0.00 0.36 1.15 -0.70 -0.69 0.00 0.00 174.62 174.74 3htn s GLU 63 N -1.51 4.06 0.30 4.92 -6.30 -1.26 -1.02 118.70 117.89 3htn s GLU 63 Ca 0.17 1.21 0.13 0.00 -2.50 0.00 0.00 54.97 53.98 3htn s GLU 63 Cb -0.11 -3.77 0.42 0.00 0.00 0.00 0.00 34.13 30.68 3htn s GLU 63 CO 0.08 -0.91 1.63 -0.84 0.02 0.00 0.00 175.26 175.24 3htn h ILE 64 N 5.74 1.28 -0.12 -3.70 3.07 -1.22 -1.37 117.51 121.19 3htn h ILE 64 Ca -0.22 -1.99 -0.06 0.00 1.55 0.00 0.00 64.86 64.13 3htn h ILE 64 Cb 1.07 2.11 -0.00 0.00 -0.27 0.00 0.00 36.82 39.73 3htn h ILE 64 CO 1.02 0.55 -0.16 0.58 -1.05 0.00 0.00 178.15 179.09 3htn h VAL 65 N 0.00 1.37 -0.80 0.16 2.07 -1.88 -0.34 116.25 116.83 3htn h VAL 65 Ca -0.01 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 3htn h VAL 65 Cb 1.06 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 3htn h VAL 65 CO 0.07 0.40 0.37 0.50 0.02 0.00 0.00 177.57 178.93 3htn h LYS 66 N -0.08 1.16 -0.64 1.57 3.64 -1.88 -0.72 116.57 119.62 3htn h LYS 66 Ca 0.01 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3htn h LYS 66 Cb 0.71 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 3htn h LYS 66 CO 0.04 0.90 0.21 0.00 -2.27 0.00 0.00 179.45 178.33 3htn h ALA 67 N 1.26 0.84 -0.42 5.00 0.00 -1.18 0.32 119.26 125.08 3htn h ALA 67 Ca 0.27 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3htn h ALA 67 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3htn h ALA 67 CO -0.03 0.50 -0.29 -0.07 0.00 0.00 0.00 179.25 179.36 3htn h LEU 68 N 0.92 0.96 -0.36 0.00 3.38 -0.79 0.10 115.31 119.53 3htn h LEU 68 Ca 0.21 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3htn h LEU 68 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3htn h LEU 68 CO -0.01 1.18 0.21 0.78 0.09 0.00 0.00 178.44 180.69 3htn h ASN 69 N 0.78 0.45 -0.61 -0.43 2.35 -1.00 -1.67 115.58 115.45 3htn h ASN 69 Ca 0.09 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3htn h ASN 69 Cb 0.86 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 3htn h ASN 69 CO 0.08 0.38 0.38 0.00 -1.65 0.00 0.00 177.43 176.62 3htn h ALA 70 N 1.08 0.79 -0.24 -0.83 0.00 -0.55 -0.56 119.26 118.96 3htn h ALA 70 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3htn h ALA 70 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3htn h ALA 70 CO -0.02 0.13 0.15 0.35 0.00 0.00 0.00 179.25 179.86 3htn h PHE 71 N 0.75 0.31 -0.57 0.00 3.57 -0.55 0.23 116.94 120.68 3htn h PHE 71 Ca 0.24 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 3htn h PHE 71 Cb 0.00 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3htn h PHE 71 CO -0.05 0.21 0.16 0.00 -2.23 0.00 0.00 178.31 176.40 3htn h LYS 73 N 0.84 0.67 -0.84 0.00 1.57 -0.71 -0.36 116.57 117.73 3htn h LYS 73 Ca 0.19 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3htn h LYS 73 Cb 0.27 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 3htn h LYS 73 CO -0.01 0.83 0.48 1.49 -0.57 0.00 0.00 179.45 181.68 3htn h GLU 74 N 0.46 1.17 -0.01 3.15 4.81 -0.19 -2.83 114.58 121.13 3htn h GLU 74 Ca 0.09 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3htn h GLU 74 Cb 0.59 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3htn h GLU 74 CO 0.03 0.84 -0.10 1.63 -0.73 0.00 0.00 179.01 180.69 3htn n LYS 75 N -4.40 1.47 -3.55 1.92 4.76 -0.34 -4.97 118.16 113.05 3htn n LYS 75 Ca 0.09 -0.92 -0.22 0.00 -2.87 0.00 0.00 58.31 54.38 3htn n LYS 75 Cb 0.08 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 31.87 3htn n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3htn n GLY 76 N 1.25 -0.50 3.68 0.72 0.00 -0.28 -4.93 105.19 105.13 3htn n GLY 76 Ca 0.16 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 3htn n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3htn s ILE 77 N -3.33 4.80 -0.03 -0.61 1.01 -0.42 -4.93 121.20 117.69 3htn s ILE 77 Ca 0.44 1.90 -0.23 0.00 0.00 0.00 0.00 60.65 62.76 3htn s ILE 77 Cb -0.19 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 37.79 3htn s ILE 77 CO 0.73 -0.02 1.06 -0.07 0.00 0.00 0.00 174.94 176.63 3htn h LEU 78 N 8.38 0.34 -7.20 2.97 3.38 -1.90 -3.47 115.31 117.81 3htn h LEU 78 Ca -0.28 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 56.93 3htn h LEU 78 Cb 1.13 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 3htn h LEU 78 CO 0.87 1.06 0.24 -0.94 0.09 0.00 0.00 178.44 179.77 3htn s SER 79 N -6.47 -0.48 0.00 -0.43 1.04 -1.24 -3.92 113.70 102.20 3htn s SER 79 Ca -0.15 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3htn s SER 79 Cb 0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3htn s SER 79 CO 0.77 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3htn n GLY 80 N -0.39 -1.08 3.31 7.32 0.00 -0.99 -1.23 105.19 112.14 3htn n GLY 80 Ca -0.14 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 3htn n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htn s SER 81 N -4.00 2.43 -0.04 1.61 1.04 -0.76 -0.73 113.70 113.25 3htn s SER 81 Ca 0.00 -0.93 0.01 0.00 0.48 0.00 0.00 55.95 55.51 3htn s SER 81 Cb 0.00 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.02 3htn s SER 81 CO 0.00 -0.14 -0.05 -0.63 0.98 0.00 0.00 173.24 173.40 3htn s ILE 82 N -2.58 0.54 -0.16 -1.02 1.01 -0.58 -1.14 121.20 117.26 3htn s ILE 82 Ca 0.17 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 3htn s ILE 82 Cb -0.03 -0.55 0.05 0.00 0.01 0.00 0.00 42.46 41.94 3htn s ILE 82 CO 0.05 0.21 0.48 0.54 0.00 0.00 0.00 174.94 176.23 3htn s ASN 83 N 0.76 -0.49 -0.01 3.58 4.22 -0.65 -1.24 114.94 121.11 3htn s ASN 83 Ca -0.10 0.89 -0.09 0.00 -2.14 0.00 0.00 52.86 51.42 3htn s ASN 83 Cb -0.13 0.92 0.03 0.00 1.28 0.00 0.00 41.25 43.34 3htn s ASN 83 CO 0.00 -0.21 0.42 0.61 -2.04 0.00 0.00 177.10 175.89 3htn n GLY 84 N 2.62 0.44 3.24 0.45 0.00 -0.74 -0.87 105.19 110.34 3htn n GLY 84 Ca -0.14 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 3htn n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3htn s ILE 85 N -2.08 0.08 -4.46 -0.61 -4.36 -0.70 -1.08 121.20 107.99 3htn s ILE 85 Ca 0.10 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 3htn s ILE 85 Cb -0.00 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.72 3htn s ILE 85 CO -0.00 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.43 3htn n GLY 86 N -0.16 -1.23 3.12 6.27 0.00 -1.21 -0.86 105.19 111.12 3htn n GLY 86 Ca -0.06 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 3htn n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htn s ALA 87 N -1.00 1.05 0.06 4.61 0.00 -0.47 -0.08 121.76 125.93 3htn s ALA 87 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.18 3htn s ALA 87 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3htn s ALA 87 CO 0.00 0.18 -0.06 0.96 0.00 0.00 0.00 175.76 176.85 3htn s ILE 88 N -0.89 0.46 -1.03 0.00 -4.36 -1.26 -0.86 121.20 113.27 3htn s ILE 88 Ca -0.00 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 58.93 3htn s ILE 88 Cb -0.08 -1.18 0.06 0.00 1.25 0.00 0.00 42.46 42.51 3htn s ILE 88 CO 0.01 -0.73 0.74 0.61 0.24 0.00 0.00 174.94 175.82 3htn n GLY 89 N 0.60 -0.56 3.46 6.27 0.00 0.10 -4.34 105.19 110.72 3htn n GLY 89 Ca -0.17 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 3htn n GLY 89 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3htn s GLU 90 N -0.77 0.85 -0.11 1.61 2.12 -1.24 -2.64 118.70 118.52 3htn s GLU 90 Ca 0.10 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.75 3htn s GLU 90 Cb 0.07 0.40 0.03 0.00 0.26 0.00 0.00 34.13 34.89 3htn s GLU 90 CO 0.12 -0.20 0.28 -1.17 -0.54 0.00 0.00 175.26 173.74 3htn s LEU 91 N -0.61 0.76 -0.13 2.70 2.96 -0.56 -1.66 118.68 122.14 3htn s LEU 91 Ca -0.07 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 3htn s LEU 91 Cb -0.03 0.93 0.02 0.00 0.50 0.00 0.00 46.19 47.61 3htn s LEU 91 CO 0.05 -0.12 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.93 3htn s THR 92 N 0.47 1.54 0.11 3.68 2.01 0.78 -0.31 115.64 123.92 3htn s THR 92 Ca -0.03 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.42 3htn s THR 92 Cb -0.04 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 3htn s THR 92 CO -0.02 0.45 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.46 3htn s LEU 93 N 1.27 2.90 -0.10 4.42 1.43 -0.25 -1.07 118.68 127.27 3htn s LEU 93 Ca -0.00 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3htn s LEU 93 Cb -0.14 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3htn s LEU 93 CO -0.07 0.18 -0.13 -0.60 0.23 0.00 0.00 176.35 175.96 3htn s ARG 94 N -2.18 3.05 -0.22 1.70 3.52 -0.01 -0.67 118.95 124.15 3htn s ARG 94 Ca 0.20 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3htn s ARG 94 Cb -0.11 -2.54 0.03 0.00 -1.56 0.00 0.00 34.95 30.77 3htn s ARG 94 CO 0.12 0.38 -0.14 0.12 -0.81 0.00 0.00 175.30 174.97 3htn s PHE 95 N -0.08 2.97 -0.18 5.12 5.36 0.67 -3.89 117.98 127.95 3htn s PHE 95 Ca -0.02 -1.79 -0.08 0.00 -0.96 0.00 0.00 56.93 54.08 3htn s PHE 95 Cb -0.14 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 3htn s PHE 95 CO 0.04 -0.80 0.08 0.12 -1.46 0.00 0.00 175.22 173.20 3htn s PHE 96 N 1.25 3.31 -0.48 10.12 5.36 -1.26 -0.84 117.98 135.45 3htn s PHE 96 Ca 0.00 0.17 -0.15 0.00 -0.96 0.00 0.00 56.93 56.00 3htn s PHE 96 Cb -0.16 -2.09 0.08 0.00 -0.34 0.00 0.00 43.02 40.52 3htn s PHE 96 CO -0.09 0.23 0.40 1.21 -1.46 0.00 0.00 175.22 175.51 3htn s ASN 97 N 0.26 6.09 0.57 6.13 3.84 0.12 -4.96 114.94 127.00 3htn s ASN 97 Ca 0.05 -1.42 0.33 0.00 0.21 0.00 0.00 52.86 52.03 3htn s ASN 97 Cb -0.12 -2.16 1.74 0.00 -0.55 0.00 0.00 41.25 40.16 3htn s ASN 97 CO -0.00 -0.67 2.16 1.55 -2.79 0.00 0.00 177.10 177.35 3htn h PRO 98 N 8.73 0.00 0.03 0.43 0.13 -1.95 0.21 132.00 139.58 3htn h PRO 98 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3htn h PRO 98 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3htn h PRO 98 CO 0.89 0.05 -0.01 0.87 -0.23 0.00 0.00 178.00 179.57 3htn h LYS 99 N 0.00 -0.03 0.00 0.86 6.56 -1.95 -3.35 116.57 118.66 3htn h LYS 99 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3htn h LYS 99 Cb 0.24 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 3htn h LYS 99 CO 0.01 0.48 -1.33 0.25 -2.06 0.00 0.00 179.45 176.80 3htn n THR 100 N -4.85 0.02 -1.03 -0.16 -2.24 -1.17 -4.97 114.28 99.88 3htn n THR 100 Ca -0.09 -0.19 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 3htn n THR 100 Cb 0.27 0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3htn n THR 100 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3htn n LYS 101 N -1.80 -0.99 -2.19 -0.78 4.76 0.71 -5.01 118.16 112.86 3htn n LYS 101 Ca 0.01 0.31 -0.35 0.00 -2.87 0.00 0.00 58.31 55.41 3htn n LYS 101 Cb 0.42 -4.09 0.01 0.00 -1.84 0.00 0.00 35.03 29.53 3htn n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3htn s ALA 102 N -1.57 2.67 0.01 7.82 0.00 -1.24 -4.82 121.76 124.63 3htn s ALA 102 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3htn s ALA 102 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3htn s ALA 102 CO 0.00 -0.83 -0.01 1.52 0.00 0.00 0.00 175.76 176.44 3htn s TYR 103 N -1.88 0.09 -0.14 0.00 1.13 -1.26 -0.70 117.35 114.59 3htn s TYR 103 Ca 0.71 -0.18 0.02 0.00 -1.41 0.00 0.00 57.07 56.22 3htn s TYR 103 Cb -0.23 -0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.58 3htn s TYR 103 CO 0.29 -0.06 -0.20 0.34 -2.51 0.00 0.00 175.55 173.41 3htn s ASP 104 N -0.49 2.93 -0.31 -0.18 2.15 -0.02 -4.95 116.67 115.81 3htn s ASP 104 Ca -0.05 -0.56 -0.05 0.00 0.43 0.00 0.00 52.55 52.32 3htn s ASP 104 Cb -0.03 -1.35 0.03 0.00 -0.30 0.00 0.00 42.92 41.27 3htn s ASP 104 CO -0.00 0.05 0.05 -1.81 -0.17 0.00 0.00 175.17 173.29 3htn s ASP 105 N 0.93 5.05 -0.15 -0.34 1.01 -1.26 -0.24 116.67 121.67 3htn s ASP 105 Ca -0.05 -1.06 -0.04 0.00 0.71 0.00 0.00 52.55 52.11 3htn s ASP 105 Cb -0.15 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3htn s ASP 105 CO -0.03 -0.26 -0.03 -0.75 0.21 0.00 0.00 175.17 174.30 3htn s LYS 106 N 1.37 3.66 -0.22 8.23 2.20 0.16 -4.93 119.74 130.21 3htn s LYS 106 Ca -0.02 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 3htn s LYS 106 Cb -0.19 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 3htn s LYS 106 CO 0.01 0.26 -0.00 0.99 -0.36 0.00 0.00 175.35 176.25 3htn s THR 107 N 0.31 3.78 -0.15 3.43 2.01 -1.26 -1.09 115.64 122.67 3htn s THR 107 Ca -0.03 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 3htn s THR 107 Cb -0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 3htn s THR 107 CO 0.03 0.40 0.10 -0.36 -0.69 0.00 0.00 174.62 174.10 3htn s PHE 108 N 1.35 3.41 -0.54 4.92 0.40 0.57 -4.96 117.98 123.14 3htn s PHE 108 Ca 0.04 0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.73 3htn s PHE 108 Cb -0.15 -2.02 0.15 0.00 0.51 0.00 0.00 43.02 41.51 3htn s PHE 108 CO 0.00 0.44 0.35 1.03 0.70 0.00 0.00 175.22 177.73 3htn s ARG 109 N -0.27 1.73 0.02 0.44 0.52 -1.26 -1.50 118.95 118.63 3htn s ARG 109 Ca 0.10 -2.57 -0.29 0.00 -0.52 0.00 0.00 55.73 52.44 3htn s ARG 109 Cb -0.12 -2.70 0.10 0.00 0.52 0.00 0.00 34.95 32.75 3htn s ARG 109 CO 0.01 -1.23 1.11 -1.83 0.02 0.00 0.00 175.30 173.37 3htn s GLU 110 N -0.41 0.73 0.67 3.54 -1.05 -1.08 -5.02 118.70 116.08 3htn s GLU 110 Ca 0.23 -0.37 -0.11 0.00 -0.15 0.00 0.00 54.97 54.57 3htn s GLU 110 Cb -0.13 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 3htn s GLU 110 CO -0.09 -0.33 1.06 -1.14 0.95 0.00 0.00 175.26 175.71 3htn s GLN 111 N -2.82 3.00 -0.05 -4.83 2.00 -1.26 -3.91 119.66 111.79 3htn s GLN 111 Ca 0.12 0.45 0.02 0.00 -2.00 0.00 0.00 55.36 53.94 3htn s GLN 111 Cb 0.01 -2.07 0.02 0.00 0.80 0.00 0.00 33.01 31.77 3htn s GLN 111 CO -0.02 -0.90 -0.09 -1.21 -0.50 0.00 0.00 175.29 172.57 3htn s GLU 113 N -5.27 1.26 -0.53 1.67 0.41 -0.32 -4.08 118.70 111.83 3htn s GLU 113 Ca 0.57 -0.27 -0.28 0.00 -0.41 0.00 0.00 54.97 54.58 3htn s GLU 113 Cb -0.11 -1.11 0.02 0.00 -1.78 0.00 0.00 34.13 31.15 3htn s GLU 113 CO 0.51 -0.01 1.30 0.42 -0.49 0.00 0.00 175.26 176.99 3htn s ILE 114 N 0.73 3.95 -0.10 -1.63 1.01 0.89 -0.28 121.20 125.77 3htn s ILE 114 Ca -0.13 0.88 0.13 0.00 0.00 0.00 0.00 60.65 61.54 3htn s ILE 114 Cb -0.15 -4.52 -0.00 0.00 0.01 0.00 0.00 42.46 37.80 3htn s ILE 114 CO 0.02 -1.13 1.40 0.77 0.00 0.00 0.00 174.94 176.00 3htn h SER 115 N 10.20 0.00 -3.06 3.58 4.64 -1.37 -3.22 113.55 124.32 3htn h SER 115 Ca -0.26 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 3htn h SER 115 Cb 1.08 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.94 3htn h SER 115 CO 1.16 0.62 0.17 0.21 -0.87 0.00 0.00 176.83 178.11 3htn s ASN 116 N -6.51 -0.76 -0.09 4.97 3.84 -1.05 -4.88 114.94 110.46 3htn s ASN 116 Ca 0.03 1.27 0.03 0.00 0.21 0.00 0.00 52.86 54.40 3htn s ASN 116 Cb 0.08 1.31 -0.01 0.00 -0.55 0.00 0.00 41.25 42.07 3htn s ASN 116 CO 0.76 -0.20 -0.19 -0.22 -2.79 0.00 0.00 177.10 174.46 3htn s LEU 117 N 1.22 2.42 -0.15 3.21 0.20 -0.24 -0.76 118.68 124.58 3htn s LEU 117 Ca -0.07 -0.41 -0.12 0.00 0.69 0.00 0.00 54.13 54.23 3htn s LEU 117 Cb -0.05 -1.50 0.04 0.00 -0.43 0.00 0.00 46.19 44.26 3htn s LEU 117 CO -0.14 0.21 0.39 0.28 -0.29 0.00 0.00 176.35 176.80 3htn s THR 118 N 0.07 -0.01 0.19 3.68 -1.32 -0.51 -1.80 115.64 115.94 3htn s THR 118 Ca -0.08 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.28 3htn s THR 118 Cb -0.15 -0.55 0.06 0.00 -1.51 0.00 0.00 72.50 70.34 3htn s THR 118 CO 0.05 0.01 0.75 0.61 -2.21 0.00 0.00 174.62 173.84 3htn n GLY 119 N 3.32 0.88 3.15 6.08 0.00 -0.38 -1.41 105.19 116.83 3htn n GLY 119 Ca -0.16 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 3htn n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3htn s ASN 120 N -2.82 0.72 -0.04 1.61 2.20 -0.25 -1.52 114.94 114.84 3htn s ASN 120 Ca 0.16 -1.08 0.07 0.00 -0.94 0.00 0.00 52.86 51.07 3htn s ASN 120 Cb -0.03 0.18 -0.01 0.00 -2.00 0.00 0.00 41.25 39.39 3htn s ASN 120 CO 0.06 -0.59 -0.24 -0.63 -2.94 0.00 0.00 177.10 172.76 3htn s ILE 121 N -3.84 1.92 0.00 0.54 1.01 0.09 -1.63 121.20 119.29 3htn s ILE 121 Ca 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3htn s ILE 121 Cb 0.07 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.93 3htn s ILE 121 CO -0.04 0.54 0.00 -1.54 0.00 0.00 0.00 174.94 173.90 3htn n SER 122 N 2.75 0.00 0.00 3.58 3.41 -0.42 -2.36 113.62 120.58 3htn n SER 122 Ca -0.17 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3htn n SER 122 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3htn n SER 122 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3htn n SER 123 N -0.98 0.00 0.00 4.04 3.41 0.13 -0.86 113.62 119.36 3htn n SER 123 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3htn n SER 123 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3htn n SER 123 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3htn n ASN 125 N 0.00 0.00 0.00 4.04 5.03 -1.26 -2.72 115.26 120.34 3htn n ASN 125 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3htn n ASN 125 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3htn n ASN 125 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3htn n GLU 126 N 0.00 -0.22 -3.46 3.52 1.02 -1.26 -4.99 120.64 115.26 3htn n GLU 126 Ca 0.00 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.82 3htn n GLU 126 Cb 0.00 -3.83 -0.06 0.00 -0.02 0.00 0.00 31.44 27.53 3htn n GLU 126 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3htn s GLN 127 N -0.73 4.11 0.22 3.49 -0.21 -1.26 -5.02 119.66 120.26 3htn s GLN 127 Ca 0.00 0.35 -0.31 0.00 0.02 0.00 0.00 55.36 55.42 3htn s GLN 127 Cb 0.00 -3.33 -0.10 0.00 1.00 0.00 0.00 33.01 30.58 3htn s GLN 127 CO 0.00 0.44 1.54 0.54 -2.12 0.00 0.00 175.29 175.69 3htn s VAL 128 N -0.24 2.47 -0.21 1.09 0.11 -1.26 -4.28 120.40 118.08 3htn s VAL 128 Ca 0.23 0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.66 3htn s VAL 128 Cb -0.15 -3.23 0.04 0.00 -1.53 0.00 0.00 36.38 31.50 3htn s VAL 128 CO 0.10 0.05 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.33 3htn s TYR 129 N 0.51 2.61 -0.20 1.54 6.14 -0.04 -4.96 117.35 122.94 3htn s TYR 129 Ca 0.65 -1.73 -0.04 0.00 0.64 0.00 0.00 57.07 56.60 3htn s TYR 129 Cb -0.44 -1.72 -0.02 0.00 0.42 0.00 0.00 41.96 40.19 3htn s TYR 129 CO 0.39 -0.78 -0.03 -0.51 0.64 0.00 0.00 175.55 175.27 3htn s LEU 130 N 1.33 3.12 -0.35 6.97 1.02 -1.26 -1.31 118.68 128.21 3htn s LEU 130 Ca -0.02 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 53.84 3htn s LEU 130 Cb -0.16 -1.78 0.07 0.00 0.02 0.00 0.00 46.19 44.33 3htn s LEU 130 CO -0.08 0.06 0.10 -2.28 0.02 0.00 0.00 176.35 174.16 3htn s HIS 131 N 1.01 3.36 -0.07 0.29 2.46 -0.65 -4.99 115.29 116.70 3htn s HIS 131 Ca 0.01 -1.90 0.03 0.00 0.47 0.00 0.00 55.06 53.67 3htn s HIS 131 Cb -0.14 -2.51 0.01 0.00 -0.13 0.00 0.00 32.58 29.80 3htn s HIS 131 CO 0.01 -0.84 -0.17 -0.51 -2.47 0.00 0.00 174.74 170.76 3htn s LEU 132 N 1.27 1.86 0.36 8.88 1.43 -1.26 -1.09 118.68 130.12 3htn s LEU 132 Ca -0.00 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3htn s LEU 132 Cb -0.21 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 3htn s LEU 132 CO -0.01 0.10 0.04 -1.00 0.23 0.00 0.00 176.35 175.71 3htn s HIS 133 N 0.42 2.55 -0.03 0.29 3.76 -0.50 -1.03 115.29 120.74 3htn s HIS 133 Ca -0.14 -0.50 -0.22 0.00 -0.15 0.00 0.00 55.06 54.06 3htn s HIS 133 Cb -0.16 -1.60 0.04 0.00 1.11 0.00 0.00 32.58 31.97 3htn s HIS 133 CO 0.05 0.43 0.46 -1.50 -0.85 0.00 0.00 174.74 173.34 3htn s ILE 134 N -2.56 0.03 -0.07 0.60 2.07 -0.20 -1.43 121.20 119.65 3htn s ILE 134 Ca 0.36 -0.28 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3htn s ILE 134 Cb 0.02 -0.78 0.01 0.00 0.13 0.00 0.00 42.46 41.84 3htn s ILE 134 CO 0.20 -0.15 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.02 3htn s THR 135 N -1.27 1.43 0.13 4.00 2.01 0.06 -1.51 115.64 120.49 3htn s THR 135 Ca -0.12 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.26 3htn s THR 135 Cb -0.03 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 3htn s THR 135 CO 0.07 0.42 -0.12 0.68 -0.69 0.00 0.00 174.62 174.97 3htn s VAL 136 N 0.44 1.25 -0.09 3.82 -7.23 0.01 -1.03 120.40 117.55 3htn s VAL 136 Ca -0.13 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3htn s VAL 136 Cb -0.15 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 3htn s VAL 136 CO 0.05 -0.53 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.42 3htn s GLY 137 N -2.68 1.72 0.60 2.32 0.00 0.61 -1.03 107.32 108.87 3htn s GLY 137 Ca 0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 3htn s GLY 137 CO 0.02 -0.49 0.82 0.54 0.00 0.00 0.00 173.10 174.00 3htn n ARG 138 N 2.58 -0.37 0.28 2.90 1.74 -0.19 -1.18 116.66 122.42 3htn n ARG 138 Ca -0.18 -1.74 0.18 0.00 -0.77 0.00 0.00 57.85 55.34 3htn n ARG 138 Cb 0.53 -0.70 0.81 0.00 -1.02 0.00 0.00 32.46 32.08 3htn n ARG 138 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3htn h SER 139 N -0.80 0.00 -0.61 0.55 4.64 -1.89 -0.10 113.55 115.33 3htn h SER 139 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3htn h SER 139 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3htn h SER 139 CO 0.24 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.30 3htn n ASP 140 N -2.97 3.38 0.00 4.97 5.75 -1.26 -4.94 116.55 121.49 3htn n ASP 140 Ca -0.00 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3htn n ASP 140 Cb 0.22 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 3htn n ASP 140 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3htn n TYR 141 N 1.27 0.00 -2.05 2.11 4.01 -0.05 -5.00 117.16 117.46 3htn n TYR 141 Ca 0.21 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.57 3htn n TYR 141 Cb 0.55 -0.65 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 3htn n TYR 141 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3htn s SER 142 N -2.60 5.82 -0.07 7.72 1.04 -1.26 -4.59 113.70 119.75 3htn s SER 142 Ca 0.00 2.52 -0.05 0.00 0.48 0.00 0.00 55.95 58.91 3htn s SER 142 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 3htn s SER 142 CO 0.00 -1.17 0.14 0.00 0.98 0.00 0.00 173.24 173.19 3htn s ALA 143 N -1.42 3.84 0.14 5.32 0.00 -1.26 -1.02 121.76 127.37 3htn s ALA 143 Ca 0.66 -0.71 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3htn s ALA 143 Cb -0.34 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3htn s ALA 143 CO 0.41 0.66 -0.20 -0.51 0.00 0.00 0.00 175.76 176.13 3htn s LEU 144 N -1.36 2.62 -0.08 0.00 1.43 -0.19 -4.98 118.68 116.12 3htn s LEU 144 Ca 0.19 -0.65 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 3htn s LEU 144 Cb -0.12 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.71 3htn s LEU 144 CO 0.09 0.16 0.50 0.00 0.23 0.00 0.00 176.35 177.33 3htn s ALA 145 N -1.29 -1.27 0.00 4.21 0.00 -1.26 -0.81 121.76 121.33 3htn s ALA 145 Ca 0.19 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3htn s ALA 145 Cb -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.81 3htn s ALA 145 CO 0.10 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3htn n GLY 146 N 1.57 -0.81 3.67 0.00 0.00 -0.57 -5.01 105.19 104.04 3htn n GLY 146 Ca -0.18 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3htn n GLY 146 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3htn s HIS 147 N -3.00 3.11 -0.14 1.61 5.65 -1.25 -1.03 115.29 120.24 3htn s HIS 147 Ca 0.00 1.23 -0.25 0.00 0.25 0.00 0.00 55.06 56.28 3htn s HIS 147 Cb 0.00 -3.40 -0.02 0.00 -1.18 0.00 0.00 32.58 27.99 3htn s HIS 147 CO 0.00 -1.16 0.83 -1.17 -0.65 0.00 0.00 174.74 172.59 3htn s LEU 148 N 2.98 4.21 -0.25 8.88 2.96 -0.20 -0.83 118.68 136.44 3htn s LEU 148 Ca 0.52 1.22 0.03 0.00 -0.22 0.00 0.00 54.13 55.68 3htn s LEU 148 Cb -0.20 -3.25 -0.17 0.00 0.50 0.00 0.00 46.19 43.07 3htn s LEU 148 CO 0.14 -0.35 -0.20 0.18 -1.32 0.00 0.00 176.35 174.80 3htn n LEU 149 N 4.92 2.78 -3.54 -0.68 4.77 -0.23 -4.67 117.00 120.34 3htn n LEU 149 Ca 0.04 -0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 55.72 3htn n LEU 149 Cb 0.49 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 3htn n LEU 149 CO 0.48 0.90 0.46 -0.55 -1.33 0.00 0.00 177.39 177.35 3htn s SER 150 N -6.36 -0.66 -0.25 -1.43 0.15 -1.13 -4.82 113.70 99.20 3htn s SER 150 Ca -0.32 0.83 -0.20 0.00 0.70 0.00 0.00 55.95 56.95 3htn s SER 150 Cb 0.08 0.69 0.07 0.00 -1.71 0.00 0.00 66.02 65.15 3htn s SER 150 CO 0.59 -0.53 0.64 0.00 1.20 0.00 0.00 173.24 175.14 3htn s ALA 151 N -0.90 -1.62 -0.29 5.45 0.00 -1.26 -0.16 121.76 122.98 3htn s ALA 151 Ca -0.08 1.93 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 3htn s ALA 151 Cb -0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 3htn s ALA 151 CO 0.08 -0.32 0.14 0.42 0.00 0.00 0.00 175.76 176.08 3htn s ILE 152 N 0.69 4.69 0.37 0.00 1.01 -0.66 -0.56 121.20 126.73 3htn s ILE 152 Ca -0.03 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 3htn s ILE 152 Cb -0.05 -3.31 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 3htn s ILE 152 CO -0.05 0.17 1.42 -1.58 0.00 0.00 0.00 174.94 174.90 3htn s GLN 153 N 1.65 4.17 -0.44 2.79 0.74 -0.19 -0.72 119.66 127.65 3htn s GLN 153 Ca 0.06 2.43 0.06 0.00 0.05 0.00 0.00 55.36 57.95 3htn s GLN 153 Cb -0.16 -2.98 0.19 0.00 1.10 0.00 0.00 33.01 31.16 3htn s GLN 153 CO 0.07 -0.43 0.51 -1.71 -0.55 0.00 0.00 175.29 173.18 3htn n ASN 154 N 0.53 -1.31 0.00 6.67 5.15 -0.04 -1.66 115.26 124.60 3htn n ASN 154 Ca 0.01 -2.63 0.00 0.00 -0.60 0.00 0.00 54.58 51.36 3htn n ASN 154 Cb 0.40 0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 3htn n ASN 154 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3htn n GLY 155 N 2.54 0.50 3.95 8.20 0.00 -1.25 -4.16 105.19 114.97 3htn n GLY 155 Ca 0.24 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 3htn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htn s ALA 156 N -1.00 3.69 -0.29 4.61 0.00 -1.26 -4.56 121.76 122.95 3htn s ALA 156 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3htn s ALA 156 Cb 0.00 -2.21 0.17 0.00 0.00 0.00 0.00 23.12 21.08 3htn s ALA 156 CO 0.00 -0.49 0.48 0.20 0.00 0.00 0.00 175.76 175.95 3htn s GLY 157 N -4.25 -0.82 -0.28 0.00 0.00 -1.26 -1.37 107.32 99.34 3htn s GLY 157 Ca 0.50 0.65 0.02 0.00 0.00 0.00 0.00 44.72 45.89 3htn s GLY 157 CO 0.39 3.25 -0.02 -0.54 0.00 0.00 0.00 173.10 176.18 3htn s GLU 158 N 2.66 1.64 0.05 2.90 2.02 -0.04 -1.17 118.70 126.76 3htn s GLU 158 Ca 0.11 -1.33 0.07 0.00 0.02 0.00 0.00 54.97 53.83 3htn s GLU 158 Cb -0.12 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 3htn s GLU 158 CO -0.27 -0.72 -0.18 -0.06 0.02 0.00 0.00 175.26 174.04 3htn s PHE 159 N 1.21 1.61 -0.22 1.61 0.08 0.01 -1.72 117.98 120.56 3htn s PHE 159 Ca -0.00 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.62 3htn s PHE 159 Cb -0.19 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 3htn s PHE 159 CO -0.08 0.08 0.01 0.08 -0.10 0.00 0.00 175.22 175.21 3htn s VAL 160 N -0.84 3.92 -0.29 -0.44 1.01 -0.05 -0.10 120.40 123.61 3htn s VAL 160 Ca 0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3htn s VAL 160 Cb -0.09 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.52 3htn s VAL 160 CO 0.02 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 3htn s VAL 161 N 1.30 3.54 -0.15 2.92 1.01 0.21 -1.63 120.40 127.61 3htn s VAL 161 Ca 0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 3htn s VAL 161 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3htn s VAL 161 CO 0.01 0.02 0.38 -0.70 0.00 0.00 0.00 175.10 174.81 3htn s GLU 162 N 1.40 4.29 -0.32 2.72 2.12 -0.29 -0.17 118.70 128.44 3htn s GLU 162 Ca -0.00 0.25 -0.12 0.00 0.36 0.00 0.00 54.97 55.46 3htn s GLU 162 Cb -0.18 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3htn s GLU 162 CO 0.00 0.18 0.22 0.34 -0.54 0.00 0.00 175.26 175.47 3htn s ASP 163 N 0.59 6.02 0.15 -1.70 2.15 0.14 -1.83 116.67 122.19 3htn s ASP 163 Ca 0.21 -0.33 0.26 0.00 0.43 0.00 0.00 52.55 53.12 3htn s ASP 163 Cb -0.14 -2.13 0.84 0.00 -0.30 0.00 0.00 42.92 41.19 3htn s ASP 163 CO 0.07 -0.19 1.75 -1.22 -0.17 0.00 0.00 175.17 175.40 3htn n TYR 164 N 5.09 0.66 -3.74 -5.34 4.01 -0.36 -4.84 117.16 112.63 3htn n TYR 164 Ca -0.13 0.19 -0.27 0.00 -0.16 0.00 0.00 57.90 57.54 3htn n TYR 164 Cb 0.50 -0.79 0.06 0.00 -0.31 0.00 0.00 39.34 38.79 3htn n TYR 164 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3htn n SER 165 N -2.06 -5.52 -3.76 7.72 7.64 -1.26 -4.99 113.62 111.39 3htn n SER 165 Ca 0.06 -0.65 -0.13 0.00 1.01 0.00 0.00 58.87 59.15 3htn n SER 165 Cb 0.41 -4.51 -0.10 0.00 -1.01 0.00 0.00 64.21 59.00 3htn n SER 165 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3htn s GLU 166 N -6.43 0.46 0.10 1.43 2.02 -1.26 -5.04 118.70 109.98 3htn s GLU 166 Ca 0.60 0.29 -0.31 0.00 0.02 0.00 0.00 54.97 55.57 3htn s GLU 166 Cb -0.28 0.22 -0.09 0.00 0.10 0.00 0.00 34.13 34.07 3htn s GLU 166 CO 0.78 -0.08 1.70 0.50 0.02 0.00 0.00 175.26 178.17 3htn s ARG 167 N -0.22 4.18 -0.10 1.61 6.06 -1.26 -3.66 118.95 125.55 3htn s ARG 167 Ca -0.04 2.42 0.00 0.00 -2.50 0.00 0.00 55.73 55.62 3htn s ARG 167 Cb -0.03 -3.53 0.02 0.00 0.06 0.00 0.00 34.95 31.47 3htn s ARG 167 CO 0.01 -0.75 -0.09 0.42 -2.50 0.00 0.00 175.30 172.40 3htn s ILE 168 N 2.45 1.05 0.35 4.11 1.01 -1.26 -5.03 121.20 123.88 3htn s ILE 168 Ca 0.76 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 61.16 3htn s ILE 168 Cb -0.42 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3htn s ILE 168 CO 0.33 0.37 0.15 -0.55 0.00 0.00 0.00 174.94 175.24 3htn s SER 169 N 1.49 4.66 0.20 3.58 0.15 -1.26 -0.69 113.70 121.83 3htn s SER 169 Ca 0.01 -0.81 0.08 0.00 0.70 0.00 0.00 55.95 55.93 3htn s SER 169 Cb -0.13 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.44 3htn s SER 169 CO -0.06 -0.34 -0.15 -0.13 1.20 0.00 0.00 173.24 173.76 3htn s ARG 170 N -3.86 1.34 -0.04 5.44 0.52 -1.10 -1.09 118.95 120.15 3htn s ARG 170 Ca 0.38 -1.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 3htn s ARG 170 Cb -0.02 -1.20 0.01 0.00 0.52 0.00 0.00 34.95 34.26 3htn s ARG 170 CO 0.23 0.21 -0.11 0.99 0.02 0.00 0.00 175.30 176.64 3htn s THR 171 N -2.77 0.94 0.17 0.02 2.01 0.11 -4.81 115.64 111.30 3htn s THR 171 Ca 0.22 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.48 3htn s THR 171 Cb -0.02 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 3htn s THR 171 CO 0.07 0.29 1.48 -0.47 -0.69 0.00 0.00 174.62 175.31 3htn s TYR 172 N 0.34 3.12 -0.42 4.92 5.04 -1.26 -1.58 117.35 127.51 3htn s TYR 172 Ca -0.07 0.82 -0.12 0.00 -2.44 0.00 0.00 57.07 55.26 3htn s TYR 172 Cb -0.11 -3.82 0.05 0.00 0.35 0.00 0.00 41.96 38.43 3htn s TYR 172 CO 0.01 -2.91 0.29 1.21 -1.34 0.00 0.00 175.55 172.82 3htn s ASN 173 N 0.95 5.89 0.42 4.32 3.84 0.51 -4.94 114.94 125.93 3htn s ASN 173 Ca 0.66 -1.21 0.17 0.00 0.21 0.00 0.00 52.86 52.68 3htn s ASN 173 Cb -0.41 -2.08 0.92 0.00 -0.55 0.00 0.00 41.25 39.12 3htn s ASN 173 CO 0.33 -0.51 1.89 1.55 -2.79 0.00 0.00 177.10 177.57 3htn h PRO 174 N 8.55 0.00 -0.27 0.43 0.13 -1.94 0.26 132.00 139.16 3htn h PRO 174 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3htn h PRO 174 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3htn h PRO 174 CO 0.76 0.29 0.13 0.22 -0.23 0.00 0.00 178.00 179.18 3htn h ASP 175 N 0.00 0.35 0.97 1.44 3.58 -1.96 -3.23 116.42 117.58 3htn h ASP 175 Ca -0.00 -0.12 -0.21 0.00 0.42 0.00 0.00 57.03 57.12 3htn h ASP 175 Cb 0.57 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 3htn h ASP 175 CO 0.04 0.37 -1.06 -0.07 -2.88 0.00 0.00 179.24 175.63 3htn h LEU 176 N 0.30 0.00 0.94 2.28 3.38 -1.90 -3.48 115.31 116.83 3htn h LEU 176 Ca 0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3htn h LEU 176 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3htn h LEU 176 CO -0.01 0.91 -0.18 0.61 0.09 0.00 0.00 178.44 179.86 3htn n GLY 177 N 1.37 0.19 3.18 0.83 0.00 0.87 -5.00 105.19 106.63 3htn n GLY 177 Ca -0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 3htn n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3htn s LEU 178 N -2.01 2.33 -0.40 0.99 1.43 -1.15 -4.97 118.68 114.89 3htn s LEU 178 Ca 0.00 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 3htn s LEU 178 Cb 0.00 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.76 3htn s LEU 178 CO 0.00 -0.13 0.50 0.20 0.23 0.00 0.00 176.35 177.15 3htn s ASN 179 N -2.04 6.25 -0.02 2.29 0.01 -1.26 -0.36 114.94 119.80 3htn s ASN 179 Ca 0.02 -0.41 0.02 0.00 -0.71 0.00 0.00 52.86 51.77 3htn s ASN 179 Cb -0.07 -2.26 -0.03 0.00 0.41 0.00 0.00 41.25 39.30 3htn s ASN 179 CO 0.02 -0.59 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.33 3htn s ILE 180 N 2.37 3.76 0.28 0.60 -1.09 -0.62 -4.84 121.20 121.66 3htn s ILE 180 Ca 0.16 -0.63 -0.28 0.00 -2.23 0.00 0.00 60.65 57.67 3htn s ILE 180 Cb -0.16 -2.60 -0.14 0.00 -1.58 0.00 0.00 42.46 37.97 3htn s ILE 180 CO 0.15 0.47 0.97 -1.22 -1.23 0.00 0.00 174.94 174.08 3htn n TYR 181 N 1.78 1.10 -3.50 3.97 4.01 -1.26 -0.71 117.16 122.54 3htn n TYR 181 Ca -0.16 0.73 -0.29 0.00 -0.16 0.00 0.00 57.90 58.02 3htn n TYR 181 Cb 0.53 -2.22 -0.13 0.00 -0.31 0.00 0.00 39.34 37.20 3htn n TYR 181 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3htn s ASP 182 N -0.58 3.19 0.42 7.72 -1.08 -0.25 -4.72 116.67 121.38 3htn s ASP 182 Ca 0.60 -1.93 0.26 0.00 -0.52 0.00 0.00 52.55 50.95 3htn s ASP 182 Cb -0.73 -0.42 0.67 0.00 -1.46 0.00 0.00 42.92 40.97 3htn s ASP 182 CO 0.59 -0.35 1.72 -0.26 0.52 0.00 0.00 175.17 177.40 3htn h PHE 183 N 7.43 0.00 -0.00 -5.34 0.04 -1.93 -3.13 116.94 114.01 3htn h PHE 183 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3htn h PHE 183 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3htn h PHE 183 CO 0.40 0.00 -0.39 0.39 -0.60 0.00 0.00 178.31 178.11 3htn n GLU 184 N -2.92 0.28 0.00 1.51 -0.58 -1.26 -4.97 120.64 112.70 3htn n GLU 184 Ca 0.03 -0.15 0.14 0.00 -0.42 0.00 0.00 57.16 56.76 3htn n GLU 184 Cb 0.45 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.36 3htn n GLU 184 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54