#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3n n THR 58 N 0.00 0.17 -0.84 2.52 -1.04 -1.26 -0.77 114.28 113.05 2h3n n THR 58 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2h3n n THR 58 Cb 0.00 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 2h3n n THR 58 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2h3n n HIS 59 N 4.05 0.00 -2.65 -1.42 -0.00 -1.26 -4.99 115.22 108.95 2h3n n HIS 59 Ca 0.21 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.51 2h3n n HIS 59 Cb 0.20 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 29.75 2h3n n HIS 59 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2h3n s VAL 60 N -3.15 4.57 0.13 1.59 1.01 0.05 -5.04 120.40 119.54 2h3n s VAL 60 Ca 0.00 1.93 -0.02 0.00 0.00 0.00 0.00 61.98 63.89 2h3n s VAL 60 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2h3n s VAL 60 CO 0.00 0.20 0.32 -0.36 0.00 0.00 0.00 175.10 175.25 2h3n s PHE 61 N 0.69 3.49 0.69 5.22 0.40 -1.26 -5.09 117.98 122.13 2h3n s PHE 61 Ca 0.52 0.38 -0.07 0.00 -0.60 0.00 0.00 56.93 57.16 2h3n s PHE 61 Cb -0.24 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.47 2h3n s PHE 61 CO 0.29 0.48 1.01 0.20 0.70 0.00 0.00 175.22 177.90 2h3n s GLY 62 N -2.64 1.66 0.15 4.36 0.00 -1.26 -4.95 107.32 104.64 2h3n s GLY 62 Ca 0.38 -0.83 0.15 0.00 0.00 0.00 0.00 44.72 44.42 2h3n s GLY 62 CO 0.27 -0.45 1.47 -1.14 0.00 0.00 0.00 173.10 173.25 2h3n n SER 63 N -2.89 0.32 0.00 1.64 3.41 -1.26 -4.97 113.62 109.87 2h3n n SER 63 Ca 0.07 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 2h3n n SER 63 Cb 0.60 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2h3n n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h3n n GLY 64 N -0.69 -1.57 3.27 5.00 0.00 -1.26 -5.00 105.19 104.94 2h3n n GLY 64 Ca 0.01 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 2h3n n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h3n s THR 65 N -3.15 2.85 -0.19 2.61 2.01 -1.26 -5.09 115.64 113.43 2h3n s THR 65 Ca 0.00 -0.69 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 2h3n s THR 65 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 2h3n s THR 65 CO 0.00 0.49 0.69 -1.58 -0.69 0.00 0.00 174.62 173.53 2h3n s GLN 66 N 1.05 4.24 -0.18 4.92 2.00 -1.26 -5.03 119.66 125.41 2h3n s GLN 66 Ca -0.00 0.75 -0.05 0.00 -2.00 0.00 0.00 55.36 54.05 2h3n s GLN 66 Cb -0.15 -3.58 -0.03 0.00 0.80 0.00 0.00 33.01 30.06 2h3n s GLN 66 CO -0.03 -0.26 -0.01 -1.17 -0.50 0.00 0.00 175.29 173.32 2h3n s LEU 67 N 1.98 3.33 -0.09 3.68 2.96 -1.26 -5.09 118.68 124.18 2h3n s LEU 67 Ca 0.32 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2h3n s LEU 67 Cb -0.16 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2h3n s LEU 67 CO 0.11 0.13 -0.19 0.42 -1.32 0.00 0.00 176.35 175.50 2h3n s THR 68 N 0.62 2.55 -0.48 3.68 -4.23 -1.26 -5.07 115.64 111.45 2h3n s THR 68 Ca -0.01 -0.87 -0.21 0.00 -1.18 0.00 0.00 61.69 59.42 2h3n s THR 68 Cb -0.14 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.74 2h3n s THR 68 CO 0.02 0.56 0.70 -0.69 -0.54 0.00 0.00 174.62 174.67 2h3n s VAL 69 N 0.01 4.75 -0.33 2.29 1.01 -1.26 -4.99 120.40 121.89 2h3n s VAL 69 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 61.98 61.50 2h3n s VAL 69 Cb -0.15 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.77 2h3n s VAL 69 CO 0.05 -0.75 1.74 0.18 0.00 0.00 0.00 175.10 176.32 2h3n n LEU 70 N 6.48 2.15 0.00 3.92 4.77 -1.26 -4.84 117.00 128.21 2h3n n LEU 70 Ca -0.02 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 2h3n n LEU 70 Cb 0.47 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 2h3n n LEU 70 CO 0.56 -0.51 0.31 -1.54 -1.33 0.00 0.00 177.39 174.88 2h3n n SER 71 N 5.32 0.90 -3.55 -1.43 3.41 -1.26 -5.07 113.62 111.94 2h3n n SER 71 Ca 0.28 -1.38 -0.08 0.00 -0.26 0.00 0.00 58.87 57.43 2h3n n SER 71 Cb 0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 2h3n n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h3n s GLN 72 N -0.38 0.99 0.46 4.33 -2.07 -1.26 -5.15 119.66 116.57 2h3n s GLN 72 Ca 0.00 -0.42 -0.24 0.00 -1.82 0.00 0.00 55.36 52.88 2h3n s GLN 72 Cb 0.00 0.42 -0.08 0.00 -1.09 0.00 0.00 33.01 32.26 2h3n s GLN 72 CO 0.00 -0.44 1.30 -2.30 -1.32 0.00 0.00 175.29 172.53 2h3n n PRO 73 N -0.31 1.91 -2.28 9.60 -0.02 -1.26 -4.95 135.00 137.68 2h3n n PRO 73 Ca -0.09 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.70 2h3n n PRO 73 Cb 0.62 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 2h3n n PRO 73 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2h3n s LYS 74 N -2.39 3.76 -0.10 -0.52 1.02 -1.26 -4.80 119.74 115.46 2h3n s LYS 74 Ca 0.63 1.74 -0.04 0.00 0.02 0.00 0.00 55.97 58.33 2h3n s LYS 74 Cb -0.48 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2h3n s LYS 74 CO 0.56 -0.54 0.21 0.00 -0.92 0.00 0.00 175.35 174.66 2h3n s ALA 75 N -1.57 -0.40 0.31 5.17 0.00 0.29 -4.93 121.76 120.63 2h3n s ALA 75 Ca 0.64 0.82 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2h3n s ALA 75 Cb -0.28 -0.70 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 2h3n s ALA 75 CO 0.34 -0.35 1.19 0.99 0.00 0.00 0.00 175.76 177.93 2h3n s THR 76 N 1.67 3.14 0.43 0.00 2.01 -1.26 -1.61 115.64 120.02 2h3n s THR 76 Ca -0.05 1.14 -0.26 0.00 0.31 0.00 0.00 61.69 62.83 2h3n s THR 76 Cb -0.11 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 2h3n s THR 76 CO -0.07 0.26 1.38 -2.16 -0.69 0.00 0.00 174.62 173.33 2h3n s PRO 77 N -1.66 3.83 -0.02 4.92 0.04 -1.26 -4.66 135.00 136.18 2h3n s PRO 77 Ca 0.47 2.32 -0.21 0.00 0.04 0.00 0.00 61.00 63.62 2h3n s PRO 77 Cb -0.35 -2.72 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 2h3n s PRO 77 CO 0.46 -0.66 0.62 0.45 0.04 0.00 0.00 177.00 177.91 2h3n s SER 78 N -0.58 6.97 -0.07 6.66 0.15 -0.61 -4.90 113.70 121.32 2h3n s SER 78 Ca 0.59 1.16 0.03 0.00 0.70 0.00 0.00 55.95 58.43 2h3n s SER 78 Cb -0.41 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2h3n s SER 78 CO 0.54 0.04 -0.18 -0.69 1.20 0.00 0.00 173.24 174.15 2h3n s VAL 79 N 0.11 1.53 -0.06 4.45 1.01 -1.26 -2.03 120.40 124.16 2h3n s VAL 79 Ca 0.33 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2h3n s VAL 79 Cb -0.18 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2h3n s VAL 79 CO 0.17 0.44 -0.09 -0.89 0.00 0.00 0.00 175.10 174.73 2h3n s THR 80 N 0.38 0.91 -0.25 3.92 2.01 -0.60 -4.97 115.64 117.04 2h3n s THR 80 Ca -0.13 -0.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 2h3n s THR 80 Cb -0.15 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2h3n s THR 80 CO 0.05 0.31 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.05 2h3n s LEU 81 N 0.76 3.29 -0.18 4.42 2.96 -1.26 -1.15 118.68 127.51 2h3n s LEU 81 Ca -0.13 -0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 52.99 2h3n s LEU 81 Cb -0.15 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2h3n s LEU 81 CO 0.02 -0.11 0.26 -0.36 -1.32 0.00 0.00 176.35 174.84 2h3n s PHE 82 N 1.43 3.43 0.79 5.38 0.08 0.18 -4.96 117.98 124.30 2h3n s PHE 82 Ca 0.03 0.51 -0.09 0.00 0.12 0.00 0.00 56.93 57.50 2h3n s PHE 82 Cb -0.16 -2.32 0.11 0.00 -0.57 0.00 0.00 43.02 40.08 2h3n s PHE 82 CO -0.02 0.20 1.11 -1.25 -0.10 0.00 0.00 175.22 175.17 2h3n s PRO 83 N 0.60 1.65 0.33 0.24 0.04 -1.26 -2.04 135.00 134.55 2h3n s PRO 83 Ca 0.14 -0.41 -0.29 0.00 0.04 0.00 0.00 61.00 60.49 2h3n s PRO 83 Cb -0.13 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2h3n s PRO 83 CO 0.03 -1.64 1.34 -2.14 0.04 0.00 0.00 177.00 174.63 2h3n s PRO 84 N -5.44 4.32 0.87 0.56 0.02 -1.22 -4.84 135.00 129.26 2h3n s PRO 84 Ca 0.65 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.82 2h3n s PRO 84 Cb -0.08 -3.06 0.11 0.00 0.02 0.00 0.00 34.50 31.49 2h3n s PRO 84 CO 0.47 -0.25 1.12 -1.54 -0.33 0.00 0.00 177.00 176.47 2h3n s SER 85 N -0.36 3.87 0.15 2.53 1.04 -1.26 -4.91 113.70 114.77 2h3n s SER 85 Ca 0.50 1.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.90 2h3n s SER 85 Cb -0.41 -1.73 0.03 0.00 0.10 0.00 0.00 66.02 64.01 2h3n s SER 85 CO 0.53 -2.34 1.64 0.28 0.98 0.00 0.00 173.24 174.34 2h3n h SER 86 N -1.35 0.79 0.06 7.02 0.02 -1.99 -2.41 113.55 115.70 2h3n h SER 86 Ca -0.49 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 60.03 2h3n h SER 86 Cb 1.31 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2h3n h SER 86 CO 0.61 0.84 -0.62 1.05 -1.14 0.00 0.00 176.83 177.57 2h3n h GLU 87 N 0.71 0.55 -0.71 3.45 4.11 -1.98 -1.94 114.58 118.76 2h3n h GLU 87 Ca 0.15 -0.38 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 2h3n h GLU 87 Cb 0.38 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2h3n h GLU 87 CO 0.01 1.00 0.36 1.49 0.07 0.00 0.00 179.01 181.94 2h3n h GLU 88 N 0.41 1.00 0.00 1.06 4.81 -1.84 0.17 114.58 120.19 2h3n h GLU 88 Ca -0.01 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2h3n h GLU 88 Cb 1.18 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2h3n h GLU 88 CO 0.12 0.76 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.83 2h3n h LEU 89 N 1.00 0.00 -0.67 1.64 3.38 -1.21 -1.22 115.31 118.24 2h3n h LEU 89 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2h3n h LEU 89 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2h3n h LEU 89 CO -0.04 0.25 0.00 1.56 0.09 0.00 0.00 178.44 180.31 2h3n h GLN 90 N 0.00 0.00 -0.61 1.13 4.20 0.07 -2.49 115.11 117.42 2h3n h GLN 90 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2h3n h GLN 90 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2h3n h GLN 90 CO 0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 2h3n n ALA 91 N -2.07 2.90 -3.23 3.87 0.00 -0.42 -4.91 120.51 116.65 2h3n n ALA 91 Ca 0.02 -1.09 -0.21 0.00 0.00 0.00 0.00 53.44 52.16 2h3n n ALA 91 Cb 0.42 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.90 2h3n n ALA 91 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2h3n n ASN 92 N 0.74 -5.89 -4.07 0.00 4.05 -0.94 -5.02 115.26 104.13 2h3n n ASN 92 Ca 0.18 -0.38 -0.10 0.00 0.45 0.00 0.00 54.58 54.74 2h3n n ASN 92 Cb 0.65 -4.61 -0.11 0.00 1.23 0.00 0.00 39.78 36.94 2h3n n ASN 92 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2h3n s LYS 93 N -5.91 0.56 -0.10 1.20 1.02 -0.57 -4.71 119.74 111.24 2h3n s LYS 93 Ca 0.41 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 55.37 2h3n s LYS 93 Cb -0.18 -0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.17 2h3n s LYS 93 CO 0.51 -0.04 0.21 0.00 -0.92 0.00 0.00 175.35 175.10 2h3n s ALA 94 N -2.68 -0.38 -0.03 5.17 0.00 -1.12 -2.91 121.76 119.80 2h3n s ALA 94 Ca -0.01 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2h3n s ALA 94 Cb -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.34 2h3n s ALA 94 CO -0.04 -0.44 -0.04 0.99 0.00 0.00 0.00 175.76 176.22 2h3n s THR 95 N 1.93 0.45 -0.00 0.00 2.01 -1.26 -1.18 115.64 117.59 2h3n s THR 95 Ca -0.02 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2h3n s THR 95 Cb -0.12 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2h3n s THR 95 CO -0.07 0.18 0.01 -0.76 -0.69 0.00 0.00 174.62 173.28 2h3n s LEU 96 N 0.58 3.54 -0.03 4.42 1.02 -0.60 -3.41 118.68 124.20 2h3n s LEU 96 Ca -0.07 0.00 0.03 0.00 0.02 0.00 0.00 54.13 54.11 2h3n s LEU 96 Cb -0.10 -2.03 0.00 0.00 0.02 0.00 0.00 46.19 44.07 2h3n s LEU 96 CO -0.00 0.28 -0.12 -0.69 0.02 0.00 0.00 176.35 175.84 2h3n s VAL 97 N -1.10 1.03 -0.24 -1.59 1.01 -0.86 -0.86 120.40 117.80 2h3n s VAL 97 Ca 0.20 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 2h3n s VAL 97 Cb -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2h3n s VAL 97 CO 0.11 0.31 -0.03 0.00 0.00 0.00 0.00 175.10 175.49 2h3n s LEU 99 N 1.44 3.21 -0.11 0.00 2.96 -0.30 -1.06 118.68 124.83 2h3n s LEU 99 Ca 0.04 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2h3n s LEU 99 Cb -0.15 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.76 2h3n s LEU 99 CO -0.03 0.12 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.93 2h3n s MET 100 N 0.63 2.25 0.20 1.98 -1.94 0.33 -1.56 119.30 121.18 2h3n s MET 100 Ca -0.02 -0.57 -0.11 0.00 -1.71 0.00 0.00 55.69 53.28 2h3n s MET 100 Cb -0.14 -1.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.78 2h3n s MET 100 CO 0.02 -0.07 0.37 0.54 -0.01 0.00 0.00 175.02 175.87 2h3n s ASN 101 N 0.99 -0.03 -1.24 3.03 4.22 -0.86 0.24 114.94 121.29 2h3n s ASN 101 Ca -0.06 -0.87 -0.02 0.00 -2.14 0.00 0.00 52.86 49.77 2h3n s ASN 101 Cb -0.15 0.50 0.00 0.00 1.28 0.00 0.00 41.25 42.88 2h3n s ASN 101 CO -0.02 -0.99 1.01 0.47 -2.04 0.00 0.00 177.10 175.53 2h3n n ASP 102 N -0.29 -2.74 -4.46 3.54 8.00 0.13 -1.57 116.55 119.16 2h3n n ASP 102 Ca -0.05 -0.62 -0.26 0.00 0.71 0.00 0.00 54.79 54.56 2h3n n ASP 102 Cb 0.63 -5.01 -0.11 0.00 -0.02 0.00 0.00 41.12 36.61 2h3n n ASP 102 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2h3n s PHE 103 N -3.38 2.34 -0.28 1.24 -0.71 -1.03 -4.48 117.98 111.68 2h3n s PHE 103 Ca 0.11 -0.33 -0.16 0.00 -1.04 0.00 0.00 56.93 55.51 2h3n s PHE 103 Cb -0.05 -1.11 0.10 0.00 -1.21 0.00 0.00 43.02 40.76 2h3n s PHE 103 CO 0.74 0.58 0.78 -0.47 -1.34 0.00 0.00 175.22 175.50 2h3n s TYR 104 N -1.97 -0.93 0.98 3.49 5.04 -0.64 -1.64 117.35 121.68 2h3n s TYR 104 Ca 0.24 1.83 -0.11 0.00 -2.44 0.00 0.00 57.07 56.60 2h3n s TYR 104 Cb -0.07 0.55 0.18 0.00 0.35 0.00 0.00 41.96 42.97 2h3n s TYR 104 CO 0.12 -0.46 1.10 -2.14 -1.34 0.00 0.00 175.55 172.83 2h3n s PRO 105 N 1.62 0.55 -0.24 4.97 0.02 -1.26 -0.55 135.00 140.11 2h3n s PRO 105 Ca -0.09 1.20 -0.04 0.00 0.02 0.00 0.00 61.00 62.08 2h3n s PRO 105 Cb -0.05 -1.70 -0.07 0.00 0.02 0.00 0.00 34.50 32.70 2h3n s PRO 105 CO -0.18 -2.84 3.07 0.41 -0.33 0.00 0.00 177.00 177.12 2h3n n GLY 106 N 0.09 3.71 2.90 0.52 0.00 -1.26 -4.84 105.19 106.31 2h3n n GLY 106 Ca 0.08 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.41 2h3n n GLY 106 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h3n s ILE 107 N -0.83 0.46 0.07 -0.61 -1.09 -1.26 -4.75 121.20 113.19 2h3n s ILE 107 Ca 0.59 -0.12 -0.27 0.00 -2.23 0.00 0.00 60.65 58.62 2h3n s ILE 107 Cb 0.34 -0.47 0.08 0.00 -1.58 0.00 0.00 42.46 40.83 2h3n s ILE 107 CO -0.11 0.19 0.92 -1.48 -1.23 0.00 0.00 174.94 173.22 2h3n s LEU 108 N 0.64 -0.28 0.08 2.97 0.05 -1.26 -4.50 118.68 116.37 2h3n s LEU 108 Ca -0.08 -0.19 0.09 0.00 0.05 0.00 0.00 54.13 54.00 2h3n s LEU 108 Cb -0.11 2.10 -0.03 0.00 -2.05 0.00 0.00 46.19 46.09 2h3n s LEU 108 CO -0.00 -0.76 -0.24 0.42 -0.55 0.00 0.00 176.35 175.22 2h3n s THR 109 N -3.21 1.99 0.03 5.48 -4.23 -0.81 -4.99 115.64 109.90 2h3n s THR 109 Ca 0.08 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 2h3n s THR 109 Cb -0.01 -1.74 -0.03 0.00 1.34 0.00 0.00 72.50 72.06 2h3n s THR 109 CO -0.04 0.17 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.32 2h3n s VAL 110 N -0.94 2.59 -0.03 2.29 1.01 -1.26 -1.44 120.40 122.62 2h3n s VAL 110 Ca 0.10 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 2h3n s VAL 110 Cb -0.10 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2h3n s VAL 110 CO 0.04 0.38 0.06 -0.89 0.00 0.00 0.00 175.10 174.69 2h3n s THR 111 N -0.86 -0.05 0.00 3.92 2.01 -0.16 -4.98 115.64 115.52 2h3n s THR 111 Ca 0.13 0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.29 2h3n s THR 111 Cb -0.10 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 2h3n s THR 111 CO 0.04 0.08 0.22 0.26 -0.69 0.00 0.00 174.62 174.52 2h3n s TRP 112 N 1.04 3.56 0.06 4.92 0.52 -1.26 -0.40 118.94 127.38 2h3n s TRP 112 Ca -0.09 0.44 0.04 0.00 0.02 0.00 0.00 56.10 56.51 2h3n s TRP 112 Cb -0.12 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 2h3n s TRP 112 CO -0.04 0.63 -0.11 0.15 0.02 0.00 0.00 176.95 177.61 2h3n s LYS 113 N -1.90 0.69 -0.55 4.98 1.02 -0.32 -0.23 119.74 123.43 2h3n s LYS 113 Ca 0.28 -0.90 0.04 0.00 0.02 0.00 0.00 55.97 55.40 2h3n s LYS 113 Cb -0.13 -0.54 0.15 0.00 -0.52 0.00 0.00 37.83 36.79 2h3n s LYS 113 CO 0.18 0.11 0.34 0.00 -0.92 0.00 0.00 175.35 175.06 2h3n s ALA 114 N -1.53 3.05 0.00 5.17 0.00 0.15 -0.88 121.76 127.73 2h3n s ALA 114 Ca -0.04 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.68 2h3n s ALA 114 Cb -0.09 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2h3n s ALA 114 CO 0.01 -2.05 0.00 -3.47 0.00 0.00 0.00 175.76 170.25 2h3n n ASP 115 N 2.81 -2.10 0.00 0.00 2.03 0.64 -3.70 116.55 116.22 2h3n n ASP 115 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2h3n n ASP 115 Cb 0.35 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2h3n n ASP 115 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h3n n GLY 116 N -2.40 2.28 3.72 0.27 0.00 -1.26 -4.97 105.19 102.82 2h3n n GLY 116 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2h3n n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h3n s THR 117 N -0.70 5.11 0.73 2.61 2.01 -1.24 -4.98 115.64 119.18 2h3n s THR 117 Ca 0.00 1.21 -0.16 0.00 0.31 0.00 0.00 61.69 63.06 2h3n s THR 117 Cb 0.00 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.59 2h3n s THR 117 CO 0.00 0.28 1.02 -2.65 -0.69 0.00 0.00 174.62 172.57 2h3n n PRO 118 N 3.80 0.50 -4.36 4.92 -0.02 -1.26 0.32 135.00 138.91 2h3n n PRO 118 Ca -0.04 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.38 2h3n n PRO 118 Cb 0.51 -2.27 -0.12 0.00 -0.02 0.00 0.00 33.50 31.60 2h3n n PRO 118 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2h3n s ILE 119 N -1.83 2.64 -0.30 4.25 1.01 0.68 -4.72 121.20 122.92 2h3n s ILE 119 Ca 0.74 -1.57 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2h3n s ILE 119 Cb -0.34 -2.19 0.08 0.00 0.01 0.00 0.00 42.46 40.02 2h3n s ILE 119 CO 0.50 0.11 -0.02 -0.89 0.00 0.00 0.00 174.94 174.64 2h3n s THR 120 N -1.10 2.30 0.63 2.92 2.01 -1.26 -4.58 115.64 116.57 2h3n s THR 120 Ca 0.16 -1.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.15 2h3n s THR 120 Cb -0.10 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 69.92 2h3n s THR 120 CO 0.08 -0.32 0.92 0.42 -0.69 0.00 0.00 174.62 175.03 2h3n s THR 126 N 1.02 2.76 -0.06 -0.82 -4.23 -0.47 -5.20 115.64 108.63 2h3n s THR 126 Ca 0.01 -0.30 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 2h3n s THR 126 Cb -0.20 -3.13 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2h3n s THR 126 CO -0.06 -0.12 0.43 0.28 -0.54 0.00 0.00 174.62 174.61 2h3n s THR 127 N -3.05 5.10 0.13 3.99 -1.32 -1.26 -4.75 115.64 114.48 2h3n s THR 127 Ca 0.58 0.87 -0.34 0.00 -1.21 0.00 0.00 61.69 61.59 2h3n s THR 127 Cb -0.11 -3.75 -0.17 0.00 -1.51 0.00 0.00 72.50 66.96 2h3n s THR 127 CO 0.43 0.46 1.08 -2.65 -2.21 0.00 0.00 174.62 171.73 2h3n n PRO 128 N 2.70 0.75 -4.28 7.08 -0.02 -1.26 -4.93 135.00 135.04 2h3n n PRO 128 Ca -0.11 0.27 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 2h3n n PRO 128 Cb 0.52 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 2h3n n PRO 128 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2h3n s SER 129 N -0.08 1.82 -0.15 2.55 1.04 -0.52 -4.95 113.70 113.41 2h3n s SER 129 Ca 0.77 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.92 2h3n s SER 129 Cb -0.97 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 2h3n s SER 129 CO 0.53 -0.40 0.54 -0.75 0.98 0.00 0.00 173.24 174.15 2h3n s LYS 130 N -3.79 4.29 0.76 4.02 2.20 -1.26 -0.50 119.74 125.47 2h3n s LYS 130 Ca 0.21 0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 56.27 2h3n s LYS 130 Cb 0.04 -3.49 0.09 0.00 -1.51 0.00 0.00 37.83 32.95 2h3n s LYS 130 CO 0.04 -0.00 1.09 -0.65 -0.36 0.00 0.00 175.35 175.46 2h3n s GLN 131 N 1.12 1.87 0.17 4.03 -0.21 0.13 -4.95 119.66 121.82 2h3n s GLN 131 Ca 0.27 -0.31 -0.14 0.00 0.02 0.00 0.00 55.36 55.20 2h3n s GLN 131 Cb -0.16 -2.10 0.09 0.00 1.00 0.00 0.00 33.01 31.84 2h3n s GLN 131 CO 0.11 -1.50 1.80 0.77 -2.12 0.00 0.00 175.29 174.36 2h3n h SER 132 N -0.82 0.44 0.00 5.90 0.02 -1.99 -1.77 113.55 115.34 2h3n h SER 132 Ca -0.44 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2h3n h SER 132 Cb 1.30 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2h3n h SER 132 CO 0.56 0.31 0.00 -0.46 -1.14 0.00 0.00 176.83 176.10 2h3n n ASN 133 N -4.83 1.33 0.00 3.07 0.23 -1.26 -4.81 115.26 108.99 2h3n n ASN 133 Ca 0.03 -1.57 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 2h3n n ASN 133 Cb 0.08 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 2h3n n ASN 133 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2h3n n ASN 134 N 0.28 -5.28 -4.99 0.53 3.02 -0.66 -4.96 115.26 103.21 2h3n n ASN 134 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2h3n n ASN 134 Cb 0.26 -3.26 0.03 0.00 -0.61 0.00 0.00 39.78 36.21 2h3n n ASN 134 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2h3n s LYS 135 N -1.82 2.57 0.28 3.52 1.02 -1.26 -4.80 119.74 119.25 2h3n s LYS 135 Ca 0.00 -1.25 0.07 0.00 0.02 0.00 0.00 55.97 54.81 2h3n s LYS 135 Cb 0.00 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2h3n s LYS 135 CO 0.00 -0.57 0.26 0.71 -0.92 0.00 0.00 175.35 174.82 2h3n s TYR 136 N -2.56 3.07 0.07 3.18 1.51 -0.65 0.22 117.35 122.19 2h3n s TYR 136 Ca 0.58 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.44 2h3n s TYR 136 Cb -0.09 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2h3n s TYR 136 CO 0.36 0.38 0.03 0.00 -1.11 0.00 0.00 175.55 175.21 2h3n s ALA 137 N -2.18 0.38 0.14 3.71 0.00 0.35 -0.69 121.76 123.47 2h3n s ALA 137 Ca 0.36 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 2h3n s ALA 137 Cb -0.07 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.50 2h3n s ALA 137 CO 0.26 -0.42 0.74 0.00 0.00 0.00 0.00 175.76 176.34 2h3n s ALA 138 N -3.92 -1.59 0.06 0.00 0.00 0.14 -1.44 121.76 115.00 2h3n s ALA 138 Ca 0.08 0.43 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2h3n s ALA 138 Cb 0.07 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2h3n s ALA 138 CO -0.09 -0.83 0.28 -1.54 0.00 0.00 0.00 175.76 173.58 2h3n s SER 139 N -2.74 -0.07 0.04 0.00 1.04 -1.26 -0.51 113.70 110.21 2h3n s SER 139 Ca 0.05 -0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 2h3n s SER 139 Cb -0.02 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.47 2h3n s SER 139 CO -0.07 -0.66 0.23 -0.55 0.98 0.00 0.00 173.24 173.18 2h3n s SER 140 N -2.31 -0.02 0.09 7.02 0.15 -0.22 -1.37 113.70 117.04 2h3n s SER 140 Ca -0.02 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 2h3n s SER 140 Cb 0.01 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.59 2h3n s SER 140 CO -0.06 -0.57 0.01 -0.72 1.20 0.00 0.00 173.24 173.10 2h3n s TYR 141 N -2.54 0.66 -0.10 3.44 1.13 -1.26 0.39 117.35 119.07 2h3n s TYR 141 Ca -0.05 -1.13 0.00 0.00 -1.41 0.00 0.00 57.07 54.48 2h3n s TYR 141 Cb -0.01 -0.42 0.02 0.00 -1.10 0.00 0.00 41.96 40.45 2h3n s TYR 141 CO -0.04 -0.45 -0.08 -1.17 -2.51 0.00 0.00 175.55 171.31 2h3n s LEU 142 N -2.97 1.22 -0.20 -3.49 2.96 -0.04 -4.97 118.68 111.19 2h3n s LEU 142 Ca 0.14 -0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 53.59 2h3n s LEU 142 Cb 0.08 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 2h3n s LEU 142 CO -0.05 -0.10 0.53 -0.44 -1.32 0.00 0.00 176.35 174.98 2h3n s SER 143 N 1.50 6.58 0.13 3.68 0.01 -1.26 -1.55 113.70 122.79 2h3n s SER 143 Ca 0.01 0.70 0.02 0.00 1.31 0.00 0.00 55.95 57.99 2h3n s SER 143 Cb -0.13 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2h3n s SER 143 CO -0.05 -0.19 -0.05 -0.76 0.41 0.00 0.00 173.24 172.59 2h3n s LEU 144 N 1.67 2.39 0.43 2.44 1.43 -0.32 -5.04 118.68 121.67 2h3n s LEU 144 Ca 0.25 -1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 52.19 2h3n s LEU 144 Cb -0.15 -0.12 -0.06 0.00 0.03 0.00 0.00 46.19 45.88 2h3n s LEU 144 CO 0.10 -0.47 0.78 0.42 0.23 0.00 0.00 176.35 177.41 2h3n s THR 145 N -3.57 4.82 0.47 5.49 -4.23 -1.26 -2.81 115.64 114.55 2h3n s THR 145 Ca 0.17 0.52 0.15 0.00 -1.18 0.00 0.00 61.69 61.34 2h3n s THR 145 Cb 0.05 -3.77 0.30 0.00 1.34 0.00 0.00 72.50 70.42 2h3n s THR 145 CO -0.01 -0.62 2.06 -0.65 -0.54 0.00 0.00 174.62 174.86 2h3n h PRO 146 N 0.95 0.24 -0.17 3.99 0.11 -1.85 -1.93 132.00 133.33 2h3n h PRO 146 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2h3n h PRO 146 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2h3n h PRO 146 CO 0.63 0.16 0.05 0.93 -0.21 0.00 0.00 178.00 179.56 2h3n h GLU 147 N 0.24 0.27 -0.77 1.05 3.07 -1.98 -1.90 114.58 114.56 2h3n h GLU 147 Ca 0.14 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2h3n h GLU 147 Cb 0.27 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 2h3n h GLU 147 CO -0.03 0.40 0.42 1.96 -1.40 0.00 0.00 179.01 180.36 2h3n h GLN 148 N 0.09 1.08 0.33 2.33 4.20 -1.79 -1.08 115.11 120.27 2h3n h GLN 148 Ca 0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2h3n h GLN 148 Cb 0.25 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2h3n h GLN 148 CO -0.00 0.81 -0.23 2.35 -0.67 0.00 0.00 178.83 181.09 2h3n h TRP 149 N 1.07 -0.60 0.00 2.96 -0.00 -1.27 -3.02 115.95 115.09 2h3n h TRP 149 Ca 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.16 2h3n h TRP 149 Cb 0.04 0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.42 2h3n h TRP 149 CO 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 178.44 178.09 2h3n h ARG 150 N -0.55 0.00 -0.02 2.65 3.08 -1.18 -3.25 114.38 115.11 2h3n h ARG 150 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2h3n h ARG 150 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2h3n h ARG 150 CO 0.01 0.00 -0.20 -1.13 -1.07 0.00 0.00 179.97 177.58 2h3n n SER 151 N -2.56 1.76 -4.58 7.04 3.41 -0.42 -4.89 113.62 113.37 2h3n n SER 151 Ca 0.03 -1.40 -0.32 0.00 -0.26 0.00 0.00 58.87 56.92 2h3n n SER 151 Cb 0.32 0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 2h3n n SER 151 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2h3n s ARG 152 N -2.28 2.45 0.53 4.33 1.81 -1.19 -5.00 118.95 119.59 2h3n s ARG 152 Ca 0.27 -0.79 0.21 0.00 -1.72 0.00 0.00 55.73 53.70 2h3n s ARG 152 Cb 0.20 -2.45 1.40 0.00 -0.45 0.00 0.00 34.95 33.65 2h3n s ARG 152 CO 0.45 0.58 2.14 0.00 -0.68 0.00 0.00 175.30 177.79 2h3n h ARG 153 N 4.39 0.00 0.00 3.54 3.08 -1.90 -3.42 114.38 120.07 2h3n h ARG 153 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2h3n h ARG 153 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2h3n h ARG 153 CO 0.53 0.05 0.00 -1.13 -1.07 0.00 0.00 179.97 178.35 2h3n n SER 154 N -4.19 0.00 -4.20 7.04 3.41 -1.26 -4.52 113.62 109.90 2h3n n SER 154 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.40 2h3n n SER 154 Cb 0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 2h3n n SER 154 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2h3n s TYR 155 N -2.00 1.29 0.03 7.33 2.02 -1.02 -0.26 117.35 124.74 2h3n s TYR 155 Ca 0.00 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2h3n s TYR 155 Cb 0.00 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 2h3n s TYR 155 CO 0.00 0.09 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.92 2h3n s SER 156 N -1.96 0.32 -0.22 2.29 0.01 -0.06 -2.36 113.70 111.72 2h3n s SER 156 Ca 0.02 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2h3n s SER 156 Cb -0.08 0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.32 2h3n s SER 156 CO 0.02 -0.41 -0.13 0.00 0.41 0.00 0.00 173.24 173.13 2h3n s GLN 158 N 1.27 3.41 -0.19 0.00 0.74 0.46 -1.88 119.66 123.48 2h3n s GLN 158 Ca 0.01 -0.64 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 2h3n s GLN 158 Cb -0.16 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 2h3n s GLN 158 CO -0.08 -0.31 -0.05 0.08 -0.55 0.00 0.00 175.29 174.37 2h3n s VAL 159 N 1.58 3.46 -0.19 1.34 1.01 0.73 -0.99 120.40 127.33 2h3n s VAL 159 Ca 0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2h3n s VAL 159 Cb -0.16 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2h3n s VAL 159 CO 0.04 0.46 -0.05 -0.04 0.00 0.00 0.00 175.10 175.50 2h3n s MET 160 N 1.00 3.44 -0.04 2.72 -1.94 -0.52 -0.72 119.30 123.25 2h3n s MET 160 Ca 0.00 -0.61 -0.01 0.00 -1.71 0.00 0.00 55.69 53.36 2h3n s MET 160 Cb -0.15 -2.93 0.03 0.00 2.01 0.00 0.00 34.83 33.80 2h3n s MET 160 CO 0.00 -0.04 0.08 -1.58 -0.01 0.00 0.00 175.02 173.47 2h3n s HIS 161 N 1.07 -0.04 -1.44 -0.03 2.46 0.07 -1.92 115.29 115.46 2h3n s HIS 161 Ca 0.01 0.28 -0.14 0.00 0.47 0.00 0.00 55.06 55.68 2h3n s HIS 161 Cb -0.15 -0.22 0.12 0.00 -0.13 0.00 0.00 32.58 32.20 2h3n s HIS 161 CO -0.00 -0.14 0.62 0.39 -2.47 0.00 0.00 174.74 173.14 2h3n n GLU 162 N 4.38 -3.23 0.00 2.88 -0.58 -1.26 -0.51 120.64 122.32 2h3n n GLU 162 Ca -0.24 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2h3n n GLU 162 Cb 0.50 -5.11 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 2h3n n GLU 162 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2h3n n GLY 163 N -1.24 1.93 3.97 0.62 0.00 -1.26 -5.04 105.19 104.17 2h3n n GLY 163 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2h3n n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2h3n s SER 164 N -2.99 6.08 -0.03 1.61 0.01 0.33 -5.13 113.70 113.59 2h3n s SER 164 Ca 0.00 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2h3n s SER 164 Cb 0.00 -1.49 0.01 0.00 0.21 0.00 0.00 66.02 64.75 2h3n s SER 164 CO 0.00 -0.27 -0.08 -0.89 0.41 0.00 0.00 173.24 172.41 2h3n s THR 165 N -2.10 0.75 -0.09 1.44 2.01 -1.26 -0.75 115.64 115.64 2h3n s THR 165 Ca 0.40 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2h3n s THR 165 Cb -0.09 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.74 2h3n s THR 165 CO 0.30 0.25 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 2h3n s VAL 166 N 0.38 1.39 -0.05 3.82 1.01 0.11 -4.98 120.40 122.08 2h3n s VAL 166 Ca -0.06 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2h3n s VAL 166 Cb -0.10 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2h3n s VAL 166 CO 0.01 0.42 -0.11 -0.70 0.00 0.00 0.00 175.10 174.71 2h3n s GLU 167 N 0.89 1.39 0.02 2.72 2.12 -1.26 -0.19 118.70 124.38 2h3n s GLU 167 Ca -0.09 -0.37 0.09 0.00 0.36 0.00 0.00 54.97 54.95 2h3n s GLU 167 Cb -0.15 -1.21 -0.03 0.00 0.26 0.00 0.00 34.13 33.00 2h3n s GLU 167 CO 0.00 0.07 -0.26 0.15 -0.54 0.00 0.00 175.26 174.69 2h3n s LYS 168 N 0.48 1.96 0.09 4.30 -0.14 -0.79 -4.98 119.74 120.66 2h3n s LYS 168 Ca -0.10 -1.02 0.06 0.00 -1.36 0.00 0.00 55.97 53.55 2h3n s LYS 168 Cb -0.13 -2.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.96 2h3n s LYS 168 CO 0.02 0.54 -0.15 0.99 -0.76 0.00 0.00 175.35 175.98 2h3n s THR 169 N -0.73 1.29 0.01 2.17 2.01 -1.26 -1.52 115.64 117.60 2h3n s THR 169 Ca 0.11 -1.47 -0.03 0.00 0.31 0.00 0.00 61.69 60.61 2h3n s THR 169 Cb -0.10 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 2h3n s THR 169 CO 0.01 -0.25 0.04 0.68 -0.69 0.00 0.00 174.62 174.41 2h3n s VAL 170 N -1.52 0.10 0.21 3.82 -7.23 -0.99 -5.02 120.40 109.76 2h3n s VAL 170 Ca 0.03 -0.79 0.09 0.00 -1.81 0.00 0.00 61.98 59.50 2h3n s VAL 170 Cb -0.08 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 2h3n s VAL 170 CO 0.03 -0.43 -0.10 0.00 -0.31 0.00 0.00 175.10 174.28 2h3n s ALA 171 N -1.38 2.93 -0.62 1.32 0.00 -1.26 -2.43 121.76 120.32 2h3n s ALA 171 Ca -0.15 -1.56 -0.15 0.00 0.00 0.00 0.00 51.96 50.10 2h3n s ALA 171 Cb -0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 23.12 22.24 2h3n s ALA 171 CO 0.00 0.41 1.82 -2.30 0.00 0.00 0.00 175.76 175.69 2h3n n PRO 172 N -0.17 1.30 0.00 0.00 -0.02 -1.26 -5.06 135.00 129.79 2h3n n PRO 172 Ca -0.10 -1.43 0.14 0.00 -2.02 0.00 0.00 63.50 60.09 2h3n n PRO 172 Cb 0.57 -2.59 0.45 0.00 -0.02 0.00 0.00 33.50 31.90 2h3n n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48