#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wko h VAL 8 N 0.00 1.34 -0.02 8.89 2.07 -2.02 -2.71 116.25 123.81 1wko h VAL 8 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1wko h VAL 8 Cb 0.00 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1wko h VAL 8 CO 0.00 0.47 -0.07 0.00 0.02 0.00 0.00 177.57 177.99 1wko n ILE 9 N -3.95 0.00 -0.17 4.57 3.06 -1.26 -4.61 119.36 116.99 1wko n ILE 9 Ca -0.02 -0.27 -0.01 0.00 -2.50 0.00 0.00 62.75 59.96 1wko n ILE 9 Cb 0.50 0.68 0.08 0.00 0.54 0.00 0.00 39.64 41.44 1wko n ILE 9 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1wko h GLU 10 N 2.51 0.15 -0.08 9.51 4.57 -1.93 -0.90 114.58 128.41 1wko h GLU 10 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1wko h GLU 10 Cb 0.60 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1wko h GLU 10 CO 0.00 0.10 -0.08 -1.35 -1.18 0.00 0.00 179.01 176.50 1wko h PRO 11 N 0.15 0.12 -0.11 0.92 0.11 -1.83 0.53 132.00 131.89 1wko h PRO 11 Ca 0.27 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.24 1wko h PRO 11 Cb 0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1wko h PRO 11 CO -0.42 0.21 -0.49 -0.07 -0.21 0.00 0.00 178.00 177.02 1wko h LEU 12 N 0.12 0.32 0.02 2.35 3.38 -1.52 -1.05 115.31 118.93 1wko h LEU 12 Ca 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1wko h LEU 12 Cb 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wko h LEU 12 CO 0.01 0.76 -0.01 0.40 0.09 0.00 0.00 178.44 179.69 1wko h ILE 13 N 0.23 1.39 -0.47 1.22 2.04 -0.70 -0.11 117.51 121.12 1wko h ILE 13 Ca 0.01 -1.87 0.08 0.00 1.00 0.00 0.00 64.86 64.08 1wko h ILE 13 Cb 0.95 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.56 1wko h ILE 13 CO 0.08 0.44 0.32 -0.03 0.00 0.00 0.00 178.15 178.96 1wko h MET 14 N -0.92 0.31 -0.01 2.37 4.05 -1.00 -1.27 114.93 118.46 1wko h MET 14 Ca -0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1wko h MET 14 Cb 0.75 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1wko h MET 14 CO 0.00 0.20 -0.02 0.41 0.23 0.00 0.00 176.91 177.74 1wko n GLY 15 N -1.53 -0.66 2.49 1.39 0.00 -0.40 -4.92 105.19 101.56 1wko n GLY 15 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1wko n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wko n ARG 16 N -0.61 -1.02 -0.01 1.61 1.74 -0.48 -4.88 116.66 113.01 1wko n ARG 16 Ca 0.20 0.42 -0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1wko n ARG 16 Cb 0.22 -4.27 -0.07 0.00 -1.02 0.00 0.00 32.46 27.32 1wko n ARG 16 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1wko h VAL 17 N 0.00 1.19 -3.09 1.55 2.07 -1.30 -0.73 116.25 115.93 1wko h VAL 17 Ca -0.05 -0.56 -0.57 0.00 0.82 0.00 0.00 66.70 66.33 1wko h VAL 17 Cb 0.59 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1wko h VAL 17 CO 0.08 0.16 0.87 -0.69 0.02 0.00 0.00 177.57 178.01 1wko s VAL 18 N -5.32 4.42 0.00 2.57 1.01 -0.56 -1.17 120.40 121.36 1wko s VAL 18 Ca -0.14 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1wko s VAL 18 Cb 0.05 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1wko s VAL 18 CO 0.68 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1wko n GLY 19 N 3.72 2.35 0.25 4.51 0.00 -0.14 -4.65 105.19 111.23 1wko n GLY 19 Ca 0.13 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 1wko n GLY 19 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wko h ASP 20 N 0.00 0.63 0.00 1.61 3.32 -1.09 -3.39 116.42 117.49 1wko h ASP 20 Ca 0.00 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 1wko h ASP 20 Cb 0.00 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1wko h ASP 20 CO 0.00 0.87 -1.06 0.52 -1.72 0.00 0.00 179.24 177.85 1wko n VAL 21 N -4.10 0.06 -4.36 -1.35 0.31 -0.31 -5.07 118.33 103.50 1wko n VAL 21 Ca -0.00 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 64.04 1wko n VAL 21 Cb 0.44 -0.88 -0.12 0.00 -0.91 0.00 0.00 33.84 32.37 1wko n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wko s LEU 22 N -5.41 2.35 0.73 7.52 1.43 -0.39 -4.32 118.68 120.60 1wko s LEU 22 Ca -0.02 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 1wko s LEU 22 Cb 0.00 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.17 1wko s LEU 22 CO 0.02 0.12 1.09 -1.81 0.23 0.00 0.00 176.35 176.00 1wko s ASP 23 N -2.20 5.20 0.37 2.29 1.01 -1.26 -0.96 116.67 121.11 1wko s ASP 23 Ca 0.13 1.21 -0.28 0.00 0.71 0.00 0.00 52.55 54.33 1wko s ASP 23 Cb -0.09 -2.00 -0.11 0.00 1.01 0.00 0.00 42.92 41.72 1wko s ASP 23 CO 0.06 -1.51 1.39 0.33 0.21 0.00 0.00 175.17 175.66 1wko n PHE 24 N -3.12 2.65 -4.00 4.23 7.35 -1.26 -4.86 117.46 118.44 1wko n PHE 24 Ca 0.07 0.49 -0.10 0.00 -0.76 0.00 0.00 57.45 57.16 1wko n PHE 24 Cb 0.57 -2.47 -0.07 0.00 0.35 0.00 0.00 39.48 37.86 1wko n PHE 24 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1wko s PHE 25 N -1.11 0.48 -0.31 -5.13 -0.71 -1.26 -4.98 117.98 104.96 1wko s PHE 25 Ca 0.55 -0.82 -0.08 0.00 -1.04 0.00 0.00 56.93 55.54 1wko s PHE 25 Cb -0.52 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.28 1wko s PHE 25 CO 0.63 -0.82 0.12 0.99 -1.34 0.00 0.00 175.22 174.80 1wko s THR 26 N -4.01 4.23 0.22 -4.49 2.01 -1.26 -4.98 115.64 107.36 1wko s THR 26 Ca 0.22 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 1wko s THR 26 Cb 0.02 -3.20 -0.11 0.00 0.01 0.00 0.00 72.50 69.22 1wko s THR 26 CO 0.05 0.03 1.57 -2.84 -0.69 0.00 0.00 174.62 172.74 1wko s PRO 27 N 1.54 4.19 0.00 4.92 0.02 -1.26 -4.81 135.00 139.61 1wko s PRO 27 Ca 0.03 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.48 1wko s PRO 27 Cb -0.17 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1wko s PRO 27 CO 0.04 -0.59 0.01 0.25 -0.33 0.00 0.00 177.00 176.38 1wko n THR 28 N 3.19 0.00 -5.06 0.99 -2.24 -0.27 -5.03 114.28 105.86 1wko n THR 28 Ca 0.11 -0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1wko n THR 28 Cb 0.38 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.49 1wko n THR 28 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wko s THR 29 N -0.34 1.78 -0.03 4.28 2.01 -1.10 -4.96 115.64 117.27 1wko s THR 29 Ca 0.00 -0.90 -0.27 0.00 0.31 0.00 0.00 61.69 60.83 1wko s THR 29 Cb 0.00 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1wko s THR 29 CO 0.00 0.50 0.85 -0.54 -0.69 0.00 0.00 174.62 174.74 1wko s LYS 30 N 0.04 4.51 -0.04 4.92 -0.14 -1.19 -4.53 119.74 123.30 1wko s LYS 30 Ca -0.07 1.18 0.05 0.00 -1.36 0.00 0.00 55.97 55.77 1wko s LYS 30 Cb -0.14 -3.45 -0.01 0.00 -1.68 0.00 0.00 37.83 32.55 1wko s LYS 30 CO 0.04 0.01 -0.21 1.41 -0.76 0.00 0.00 175.35 175.84 1wko s MET 31 N 0.87 2.10 -0.18 1.68 -2.45 -1.26 -0.89 119.30 119.17 1wko s MET 31 Ca 0.45 -0.76 0.01 0.00 -1.25 0.00 0.00 55.69 54.14 1wko s MET 31 Cb -0.20 -1.84 0.04 0.00 1.25 0.00 0.00 34.83 34.09 1wko s MET 31 CO 0.24 0.34 -0.10 -0.80 1.05 0.00 0.00 175.02 175.74 1wko s ASN 32 N -0.14 3.17 -0.21 1.11 -0.87 -0.25 -4.99 114.94 112.75 1wko s ASN 32 Ca -0.02 -0.77 -0.09 0.00 -1.57 0.00 0.00 52.86 50.41 1wko s ASN 32 Cb -0.12 -1.18 -0.04 0.00 -0.02 0.00 0.00 41.25 39.89 1wko s ASN 32 CO 0.02 -0.13 0.11 -0.69 -2.57 0.00 0.00 177.10 173.84 1wko s VAL 33 N 1.45 5.06 0.00 1.60 1.01 -1.26 -1.41 120.40 126.84 1wko s VAL 33 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1wko s VAL 33 Cb -0.15 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wko s VAL 33 CO -0.09 0.40 -0.02 -0.94 0.00 0.00 0.00 175.10 174.46 1wko s SER 34 N 0.73 0.25 -0.24 3.32 1.04 0.23 -0.22 113.70 118.81 1wko s SER 34 Ca 0.06 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 1wko s SER 34 Cb -0.13 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1wko s SER 34 CO 0.02 -0.03 -0.05 -0.31 0.98 0.00 0.00 173.24 173.85 1wko s TYR 35 N -0.28 3.01 -1.46 5.02 2.02 -0.72 -0.84 117.35 124.10 1wko s TYR 35 Ca -0.02 -1.27 -0.01 0.00 -0.37 0.00 0.00 57.07 55.40 1wko s TYR 35 Cb -0.02 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1wko s TYR 35 CO -0.00 -0.65 0.35 0.09 -1.57 0.00 0.00 175.55 173.76 1wko n ASN 36 N 4.74 -0.20 0.00 2.29 4.13 -1.26 -1.42 115.26 123.53 1wko n ASN 36 Ca -0.17 -1.07 0.00 0.00 1.68 0.00 0.00 54.58 55.02 1wko n ASN 36 Cb 0.49 -2.70 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 1wko n ASN 36 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wko n LYS 37 N -4.44 -0.43 -3.42 3.52 5.02 -1.26 -4.98 118.16 112.17 1wko n LYS 37 Ca -0.29 0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.68 1wko n LYS 37 Cb 0.68 -3.57 -0.10 0.00 -0.02 0.00 0.00 35.03 32.02 1wko n LYS 37 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1wko s LYS 38 N -0.62 3.07 0.32 1.97 1.02 -0.51 -5.06 119.74 119.94 1wko s LYS 38 Ca 0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 1wko s LYS 38 Cb 0.00 -3.96 -0.11 0.00 -0.52 0.00 0.00 37.83 33.24 1wko s LYS 38 CO 0.00 -0.75 1.57 0.94 -0.92 0.00 0.00 175.35 176.19 1wko n GLN 39 N 5.31 2.71 -2.29 1.68 7.27 -1.26 -1.75 117.38 129.05 1wko n GLN 39 Ca -0.10 0.96 -0.42 0.00 0.07 0.00 0.00 57.00 57.51 1wko n GLN 39 Cb 0.47 -2.73 -0.03 0.00 2.41 0.00 0.00 30.24 30.37 1wko n GLN 39 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1wko s VAL 40 N -0.34 3.85 -0.22 1.69 1.01 0.70 -4.94 120.40 122.15 1wko s VAL 40 Ca 0.61 1.23 -0.08 0.00 0.00 0.00 0.00 61.98 63.74 1wko s VAL 40 Cb -0.49 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1wko s VAL 40 CO 0.53 0.00 0.08 -0.55 0.00 0.00 0.00 175.10 175.16 1wko s SER 41 N 1.73 5.43 -0.38 3.32 0.15 -1.26 -4.81 113.70 117.89 1wko s SER 41 Ca 0.62 -0.06 -0.43 0.00 0.70 0.00 0.00 55.95 56.78 1wko s SER 41 Cb -0.30 -1.96 -0.17 0.00 -1.71 0.00 0.00 66.02 61.88 1wko s SER 41 CO 0.25 0.06 1.69 0.59 1.20 0.00 0.00 173.24 177.04 1wko n ASN 42 N 4.29 1.88 0.00 5.45 3.02 -1.26 -1.79 115.26 126.86 1wko n ASN 42 Ca -0.16 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1wko n ASN 42 Cb 0.52 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1wko n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wko n GLY 43 N 4.16 1.66 3.85 7.41 0.00 -0.15 -4.98 105.19 117.14 1wko n GLY 43 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1wko n GLY 43 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wko s HIS 44 N -3.29 3.39 0.13 1.61 3.76 -0.74 -4.59 115.29 115.56 1wko s HIS 44 Ca 0.00 1.30 -0.25 0.00 -0.15 0.00 0.00 55.06 55.96 1wko s HIS 44 Cb 0.00 -2.62 -0.07 0.00 1.11 0.00 0.00 32.58 31.00 1wko s HIS 44 CO 0.00 -0.06 0.77 -2.00 -0.85 0.00 0.00 174.74 172.60 1wko s GLU 45 N -3.37 4.55 0.14 1.40 2.12 -1.26 -1.81 118.70 120.46 1wko s GLU 45 Ca 0.56 1.13 0.07 0.00 0.36 0.00 0.00 54.97 57.10 1wko s GLU 45 Cb -0.10 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1wko s GLU 45 CO 0.21 0.50 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.76 1wko s LEU 46 N -0.87 2.40 0.25 2.70 1.43 -0.25 -4.92 118.68 119.42 1wko s LEU 46 Ca 0.36 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1wko s LEU 46 Cb -0.22 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.18 1wko s LEU 46 CO 0.25 -0.06 0.98 -0.36 0.23 0.00 0.00 176.35 177.39 1wko s PHE 47 N -1.95 3.89 0.33 0.29 0.08 -1.26 -4.40 117.98 114.96 1wko s PHE 47 Ca 0.12 1.87 0.09 0.00 0.12 0.00 0.00 56.93 59.13 1wko s PHE 47 Cb -0.06 -3.05 0.84 0.00 -0.57 0.00 0.00 43.02 40.18 1wko s PHE 47 CO 0.05 0.22 1.79 -1.35 -0.10 0.00 0.00 175.22 175.83 1wko h PRO 48 N 4.07 0.64 0.00 0.24 0.11 -1.88 -1.27 132.00 133.91 1wko h PRO 48 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1wko h PRO 48 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1wko h PRO 48 CO 0.68 0.42 -0.03 0.66 -0.21 0.00 0.00 178.00 179.52 1wko h SER 49 N 0.66 0.00 1.75 -2.05 4.64 -1.93 -1.33 113.55 115.29 1wko h SER 49 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1wko h SER 49 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1wko h SER 49 CO -0.33 0.03 0.00 0.28 -0.87 0.00 0.00 176.83 175.94 1wko h SER 50 N 0.00 0.00 -0.00 4.97 0.02 -1.62 -3.32 113.55 113.60 1wko h SER 50 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wko h SER 50 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1wko h SER 50 CO 0.00 0.00 -0.20 1.33 -1.14 0.00 0.00 176.83 176.83 1wko n VAL 51 N -2.96 2.02 0.45 2.27 0.24 -0.52 -4.74 118.33 115.09 1wko n VAL 51 Ca 0.04 -2.66 0.13 0.00 -2.04 0.00 0.00 64.34 59.81 1wko n VAL 51 Cb 0.47 -0.24 0.46 0.00 -1.47 0.00 0.00 33.84 33.07 1wko n VAL 51 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1wko h SER 52 N 0.41 0.00 -2.85 -1.34 4.64 -1.61 -3.40 113.55 109.40 1wko h SER 52 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.70 1wko h SER 52 Cb 1.01 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.94 1wko h SER 52 CO 0.00 0.00 -0.76 -0.44 -0.87 0.00 0.00 176.83 174.77 1wko s SER 53 N -4.60 3.89 0.52 4.97 0.01 -1.26 -4.64 113.70 112.60 1wko s SER 53 Ca 0.06 -0.76 -0.22 0.00 1.31 0.00 0.00 55.95 56.34 1wko s SER 53 Cb 0.10 -0.50 -0.06 0.00 0.21 0.00 0.00 66.02 65.77 1wko s SER 53 CO 0.49 0.09 1.35 -1.59 0.41 0.00 0.00 173.24 173.99 1wko s LYS 54 N -2.98 3.27 0.70 12.44 -2.85 -1.26 -5.00 119.74 124.05 1wko s LYS 54 Ca 0.25 2.23 -0.09 0.00 -1.00 0.00 0.00 55.97 57.36 1wko s LYS 54 Cb -0.08 -2.33 0.04 0.00 -2.06 0.00 0.00 37.83 33.40 1wko s LYS 54 CO 0.14 -1.09 1.04 -1.25 0.10 0.00 0.00 175.35 174.29 1wko s PRO 55 N -2.82 2.55 0.03 1.78 0.04 -1.26 -4.94 135.00 130.37 1wko s PRO 55 Ca 0.69 0.11 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 1wko s PRO 55 Cb -0.40 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1wko s PRO 55 CO 0.48 -1.10 0.71 0.50 0.04 0.00 0.00 177.00 177.63 1wko s ARG 56 N -5.28 4.44 -0.30 4.56 3.52 -0.02 -4.89 118.95 120.97 1wko s ARG 56 Ca 0.58 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 57.14 1wko s ARG 56 Cb -0.11 -3.35 0.09 0.00 -1.56 0.00 0.00 34.95 30.02 1wko s ARG 56 CO 0.48 0.32 0.06 0.08 -0.81 0.00 0.00 175.30 175.42 1wko s VAL 57 N -0.13 1.36 -0.04 7.11 1.01 -1.26 -0.60 120.40 127.86 1wko s VAL 57 Ca 0.36 -1.60 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1wko s VAL 57 Cb -0.20 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1wko s VAL 57 CO 0.21 -0.54 0.31 -1.61 0.00 0.00 0.00 175.10 173.47 1wko s GLU 58 N 1.39 3.74 0.04 2.72 2.02 -0.50 -1.42 118.70 126.69 1wko s GLU 58 Ca 0.07 0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.34 1wko s GLU 58 Cb -0.18 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1wko s GLU 58 CO -0.16 0.72 -0.22 0.96 0.02 0.00 0.00 175.26 176.58 1wko s ILE 59 N -1.08 1.76 0.03 -1.63 -4.36 -0.11 -1.09 121.20 114.72 1wko s ILE 59 Ca 0.21 -1.23 0.05 0.00 -0.26 0.00 0.00 60.65 59.42 1wko s ILE 59 Cb -0.15 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 42.02 1wko s ILE 59 CO 0.10 0.24 -0.16 -1.00 0.24 0.00 0.00 174.94 174.36 1wko s HIS 60 N -0.80 1.37 0.00 1.37 3.76 -0.06 -3.44 115.29 117.49 1wko s HIS 60 Ca 0.08 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1wko s HIS 60 Cb -0.09 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.77 1wko s HIS 60 CO 0.02 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.36 1wko n GLY 61 N 2.03 -1.22 1.57 -2.22 0.00 -1.26 -3.17 105.19 100.91 1wko n GLY 61 Ca -0.17 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1wko n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wko n GLY 62 N -1.05 -2.58 3.68 -0.02 0.00 -1.26 -4.31 105.19 99.65 1wko n GLY 62 Ca 0.00 -1.66 -0.45 0.00 0.00 0.00 0.00 46.02 43.91 1wko n GLY 62 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wko n ASP 63 N -0.29 3.41 0.31 1.61 -0.08 -1.26 -4.82 116.55 115.42 1wko n ASP 63 Ca 0.00 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.54 1wko n ASP 63 Cb 0.00 -1.47 1.05 0.00 2.34 0.00 0.00 41.12 43.04 1wko n ASP 63 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wko h LEU 64 N 6.37 0.00 -0.08 -2.67 4.07 -1.91 -2.50 115.31 118.60 1wko h LEU 64 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1wko h LEU 64 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1wko h LEU 64 CO 0.91 0.00 -0.30 0.54 -1.08 0.00 0.00 178.44 178.51 1wko n ARG 65 N -3.48 0.18 -2.22 1.13 1.74 -1.26 -3.96 116.66 108.79 1wko n ARG 65 Ca -0.03 -0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.63 1wko n ARG 65 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1wko n ARG 65 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wko s SER 66 N -2.88 5.75 0.04 0.55 0.01 -0.94 -4.88 113.70 111.35 1wko s SER 66 Ca 0.16 2.08 0.08 0.00 1.31 0.00 0.00 55.95 59.57 1wko s SER 66 Cb 0.18 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1wko s SER 66 CO 0.61 -1.19 -0.23 -0.36 0.41 0.00 0.00 173.24 172.47 1wko s PHE 67 N -1.95 2.06 0.09 2.43 0.08 -1.26 -0.45 117.98 118.98 1wko s PHE 67 Ca 0.70 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 57.42 1wko s PHE 67 Cb -0.21 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1wko s PHE 67 CO 0.28 0.09 -0.16 -0.06 -0.10 0.00 0.00 175.22 175.27 1wko s PHE 68 N -0.76 1.42 -0.08 0.36 0.40 0.13 -0.78 117.98 118.66 1wko s PHE 68 Ca 0.09 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1wko s PHE 68 Cb -0.09 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.64 1wko s PHE 68 CO 0.02 0.11 -0.15 0.99 0.70 0.00 0.00 175.22 176.89 1wko s THR 69 N -1.32 2.95 -0.12 0.64 2.01 -0.18 -1.08 115.64 118.54 1wko s THR 69 Ca 0.02 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1wko s THR 69 Cb -0.10 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1wko s THR 69 CO 0.03 0.56 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.20 1wko s LEU 70 N -0.21 2.94 0.08 4.42 2.96 0.89 -0.52 118.68 129.23 1wko s LEU 70 Ca 0.00 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1wko s LEU 70 Cb -0.13 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1wko s LEU 70 CO 0.03 0.22 -0.20 0.68 -1.32 0.00 0.00 176.35 175.77 1wko s VAL 71 N 0.01 1.59 -0.12 1.68 -7.23 -0.31 -1.12 120.40 114.91 1wko s VAL 71 Ca -0.02 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1wko s VAL 71 Cb -0.14 -1.43 0.01 0.00 0.56 0.00 0.00 36.38 35.39 1wko s VAL 71 CO 0.04 0.01 -0.17 -0.32 -0.31 0.00 0.00 175.10 174.35 1wko s MET 72 N -1.60 2.39 0.10 4.82 1.75 -0.19 -0.93 119.30 125.64 1wko s MET 72 Ca 0.05 -0.62 0.02 0.00 -1.25 0.00 0.00 55.69 53.89 1wko s MET 72 Cb -0.09 -2.01 -0.04 0.00 2.84 0.00 0.00 34.83 35.52 1wko s MET 72 CO 0.03 -0.06 -0.07 0.96 -0.65 0.00 0.00 175.02 175.23 1wko s ILE 73 N 0.98 0.73 -0.24 10.11 -0.00 -0.26 -0.34 121.20 132.19 1wko s ILE 73 Ca -0.06 -1.87 0.01 0.00 -0.00 0.00 0.00 60.65 58.73 1wko s ILE 73 Cb -0.15 -1.60 0.06 0.00 -0.00 0.00 0.00 42.46 40.77 1wko s ILE 73 CO -0.02 -0.81 -0.05 -0.62 -0.00 0.00 0.00 174.94 173.43 1wko s ASP 74 N -2.92 3.87 0.00 4.36 -1.08 -0.07 -1.01 116.67 119.82 1wko s ASP 74 Ca 0.10 -1.19 0.29 0.00 -0.52 0.00 0.00 52.55 51.23 1wko s ASP 74 Cb 0.04 -1.18 1.34 0.00 -1.46 0.00 0.00 42.92 41.66 1wko s ASP 74 CO -0.04 -0.24 1.95 -0.81 0.52 0.00 0.00 175.17 176.55 1wko n PRO 75 N 4.67 0.44 -2.19 4.34 -0.04 -1.26 -0.40 135.00 140.55 1wko n PRO 75 Ca -0.12 -0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 1wko n PRO 75 Cb 0.44 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1wko n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wko n ASP 76 N -1.22 6.52 -4.29 3.54 8.00 -1.26 -4.65 116.55 123.19 1wko n ASP 76 Ca 0.13 -3.78 -0.31 0.00 0.71 0.00 0.00 54.79 51.53 1wko n ASP 76 Cb 0.27 -0.87 -0.16 0.00 -0.02 0.00 0.00 41.12 40.34 1wko n ASP 76 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1wko s VAL 77 N -5.14 2.12 -0.41 2.53 -7.23 -1.26 -2.44 120.40 108.58 1wko s VAL 77 Ca 0.50 -1.06 0.26 0.00 -1.81 0.00 0.00 61.98 59.87 1wko s VAL 77 Cb 0.40 -1.76 0.32 0.00 0.56 0.00 0.00 36.38 35.90 1wko s VAL 77 CO -0.31 0.57 1.75 1.55 -0.31 0.00 0.00 175.10 178.35 1wko h PRO 78 N 5.87 0.00 -4.04 4.82 0.13 -1.87 -0.70 132.00 136.22 1wko h PRO 78 Ca -0.36 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.63 1wko h PRO 78 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 1wko h PRO 78 CO 0.47 0.00 -0.67 0.20 -0.23 0.00 0.00 178.00 177.78 1wko s GLY 79 N -3.93 0.31 0.46 1.56 0.00 -1.02 -3.23 107.32 101.47 1wko s GLY 79 Ca 0.06 -0.79 0.17 0.00 0.00 0.00 0.00 44.72 44.17 1wko s GLY 79 CO 0.58 -0.89 2.01 -0.56 0.00 0.00 0.00 173.10 174.24 1wko h PRO 80 N 4.00 0.00 0.00 2.90 0.13 -1.75 -2.77 132.00 134.51 1wko h PRO 80 Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 1wko h PRO 80 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1wko h PRO 80 CO 0.51 0.17 -0.26 0.77 -0.23 0.00 0.00 178.00 178.97 1wko h SER 81 N 0.00 0.00 -1.32 1.44 0.02 -1.95 -3.35 113.55 108.38 1wko h SER 81 Ca -0.00 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.54 1wko h SER 81 Cb 0.33 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.59 1wko h SER 81 CO 0.02 0.26 -0.82 -0.67 -1.14 0.00 0.00 176.83 174.48 1wko n ASP 82 N -3.33 -1.35 -3.44 3.07 2.03 -1.16 -5.05 116.55 107.32 1wko n ASP 82 Ca 0.01 -2.85 -0.40 0.00 0.52 0.00 0.00 54.79 52.07 1wko n ASP 82 Cb 0.49 0.44 -0.01 0.00 -0.72 0.00 0.00 41.12 41.32 1wko n ASP 82 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wko n PRO 83 N 1.93 4.06 0.00 -0.67 -0.04 -1.05 -4.24 135.00 134.98 1wko n PRO 83 Ca 0.19 -2.86 0.09 0.00 -0.04 0.00 0.00 63.50 60.87 1wko n PRO 83 Cb 0.56 -2.76 0.45 0.00 -0.04 0.00 0.00 33.50 31.71 1wko n PRO 83 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1wko n PHE 84 N 2.90 0.00 0.11 0.54 1.16 -0.95 -1.76 117.46 119.47 1wko n PHE 84 Ca 0.68 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 56.35 1wko n PHE 84 Cb 0.25 -0.34 0.18 0.00 -1.61 0.00 0.00 39.48 37.96 1wko n PHE 84 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1wko n LEU 85 N -1.34 3.07 -4.76 5.98 4.77 -0.31 -4.97 117.00 119.43 1wko n LEU 85 Ca 0.08 -1.61 -0.38 0.00 -0.03 0.00 0.00 56.01 54.06 1wko n LEU 85 Cb 0.17 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1wko n LEU 85 CO 0.15 0.70 0.93 -1.59 -1.33 0.00 0.00 177.39 176.24 1wko s LYS 86 N -1.18 3.72 0.18 3.23 -2.85 -0.72 -1.94 119.74 120.18 1wko s LYS 86 Ca 0.30 2.06 0.02 0.00 -1.00 0.00 0.00 55.97 57.35 1wko s LYS 86 Cb 0.17 -2.54 -0.04 0.00 -2.06 0.00 0.00 37.83 33.37 1wko s LYS 86 CO 0.24 -0.67 0.32 -1.21 0.10 0.00 0.00 175.35 174.13 1wko s GLU 87 N -2.53 3.46 -0.19 1.78 2.02 0.30 -3.95 118.70 119.59 1wko s GLU 87 Ca 0.62 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.88 1wko s GLU 87 Cb -0.36 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 1wko s GLU 87 CO 0.44 0.47 0.40 -1.58 0.02 0.00 0.00 175.26 175.01 1wko s HIS 88 N -1.82 3.40 -0.20 1.61 5.65 0.46 -1.02 115.29 123.37 1wko s HIS 88 Ca 0.35 0.65 -0.24 0.00 0.25 0.00 0.00 55.06 56.07 1wko s HIS 88 Cb -0.11 -2.51 -0.01 0.00 -1.18 0.00 0.00 32.58 28.77 1wko s HIS 88 CO 0.29 0.03 0.79 -1.17 -0.65 0.00 0.00 174.74 174.03 1wko s LEU 89 N 1.16 4.14 -0.09 8.88 2.96 1.00 -0.89 118.68 135.83 1wko s LEU 89 Ca 0.20 1.06 0.19 0.00 -0.22 0.00 0.00 54.13 55.36 1wko s LEU 89 Cb -0.15 -3.15 -0.28 0.00 0.50 0.00 0.00 46.19 43.11 1wko s LEU 89 CO 0.08 -0.41 0.30 1.41 -1.32 0.00 0.00 176.35 176.40 1wko n HIS 90 N 5.46 0.00 -3.64 5.38 8.25 0.54 -4.84 115.22 126.36 1wko n HIS 90 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.45 1wko n HIS 90 Cb 0.49 -0.65 -0.07 0.00 1.12 0.00 0.00 29.99 30.88 1wko n HIS 90 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1wko s TRP 91 N -3.04 -0.26 -0.04 4.41 -0.00 -1.15 -0.59 118.94 118.28 1wko s TRP 91 Ca -0.08 0.60 -0.00 0.00 -0.00 0.00 0.00 56.10 56.62 1wko s TRP 91 Cb 0.10 0.38 0.03 0.00 -0.00 0.00 0.00 33.47 33.98 1wko s TRP 91 CO 0.82 -0.13 0.01 0.42 -0.00 0.00 0.00 176.95 178.08 1wko s ILE 92 N 0.35 0.13 -0.10 5.86 1.01 -0.57 -1.02 121.20 126.86 1wko s ILE 92 Ca 0.02 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1wko s ILE 92 Cb -0.05 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1wko s ILE 92 CO -0.12 0.16 -0.16 -0.69 0.00 0.00 0.00 174.94 174.14 1wko s VAL 93 N 1.38 1.52 0.42 2.92 1.01 -0.27 -1.10 120.40 126.29 1wko s VAL 93 Ca -0.05 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1wko s VAL 93 Cb -0.13 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1wko s VAL 93 CO -0.03 0.44 0.20 0.42 0.00 0.00 0.00 175.10 176.14 1wko s THR 94 N 0.87 2.29 -1.41 3.92 -4.23 -0.05 -0.08 115.64 116.96 1wko s THR 94 Ca -0.09 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1wko s THR 94 Cb -0.15 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.77 1wko s THR 94 CO 0.00 0.00 1.00 0.59 -0.54 0.00 0.00 174.62 175.67 1wko n ASN 95 N -1.29 -4.37 -4.64 3.99 3.02 -1.02 -0.06 115.26 110.89 1wko n ASN 95 Ca -0.01 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.41 1wko n ASN 95 Cb 0.64 -4.37 -0.03 0.00 -0.61 0.00 0.00 39.78 35.41 1wko n ASN 95 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wko s ILE 96 N -3.38 4.69 0.32 2.41 1.01 -0.24 -4.28 121.20 121.74 1wko s ILE 96 Ca 0.46 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.44 1wko s ILE 96 Cb -0.22 -4.26 -0.11 0.00 0.01 0.00 0.00 42.46 37.88 1wko s ILE 96 CO 0.79 -0.26 1.56 -2.84 0.00 0.00 0.00 174.94 174.19 1wko s PRO 97 N 3.19 4.11 0.42 2.79 0.02 -1.26 -0.69 135.00 143.58 1wko s PRO 97 Ca 0.39 2.58 -0.24 0.00 0.02 0.00 0.00 61.00 63.76 1wko s PRO 97 Cb -0.14 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 31.26 1wko s PRO 97 CO 0.11 -0.61 0.85 0.41 -0.33 0.00 0.00 177.00 177.44 1wko n GLY 98 N 1.63 -0.64 2.77 0.52 0.00 0.41 -2.20 105.19 107.67 1wko n GLY 98 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1wko n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wko n THR 99 N -0.62 0.00 0.00 2.61 -2.24 -1.24 -4.70 114.28 108.09 1wko n THR 99 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1wko n THR 99 Cb 0.39 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1wko n THR 99 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wko n THR 100 N -2.37 0.00 -3.91 4.28 -2.24 -0.93 -4.78 114.28 104.32 1wko n THR 100 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1wko n THR 100 Cb 0.17 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 1wko n THR 100 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wko s ASP 101 N 0.03 -0.15 0.55 3.42 1.47 -1.26 -0.93 116.67 119.80 1wko s ASP 101 Ca 0.00 -0.77 0.30 0.00 1.18 0.00 0.00 52.55 53.26 1wko s ASP 101 Cb 0.00 0.59 1.46 0.00 -0.34 0.00 0.00 42.92 44.64 1wko s ASP 101 CO 0.00 -1.13 1.91 0.00 0.68 0.00 0.00 175.17 176.63 1wko h ALA 102 N 2.23 2.59 0.00 2.11 0.00 -1.64 -0.80 119.26 123.75 1wko h ALA 102 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wko h ALA 102 Cb 1.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wko h ALA 102 CO 0.35 -0.91 0.00 1.79 0.00 0.00 0.00 179.25 180.48 1wko h THR 103 N 0.00 0.00 -0.00 0.00 1.35 -1.96 -2.10 112.91 110.19 1wko h THR 103 Ca 0.33 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1wko h THR 103 Cb 1.43 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1wko h THR 103 CO -0.00 0.00 -0.30 0.49 -0.25 0.00 0.00 175.52 175.45 1wko n PHE 104 N -2.71 0.00 -2.45 4.73 3.01 -0.31 -4.91 117.46 114.82 1wko n PHE 104 Ca -0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.38 1wko n PHE 104 Cb 0.19 -0.27 0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1wko n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wko n GLY 105 N 1.44 0.88 3.54 1.37 0.00 -0.79 -4.63 105.19 107.00 1wko n GLY 105 Ca 0.08 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1wko n GLY 105 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wko s LYS 106 N -3.23 3.79 -0.35 1.61 2.47 0.92 -4.92 119.74 120.02 1wko s LYS 106 Ca 0.22 -0.42 -0.28 0.00 -1.56 0.00 0.00 55.97 53.93 1wko s LYS 106 Cb -0.01 -3.58 0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1wko s LYS 106 CO 0.14 -0.22 1.03 -2.00 0.16 0.00 0.00 175.35 174.46 1wko s GLU 107 N 1.71 3.97 -0.23 4.03 2.12 -1.26 -0.87 118.70 128.17 1wko s GLU 107 Ca 0.07 0.87 0.06 0.00 0.36 0.00 0.00 54.97 56.33 1wko s GLU 107 Cb -0.16 -3.77 -0.19 0.00 0.26 0.00 0.00 34.13 30.27 1wko s GLU 107 CO 0.09 -0.96 -0.14 0.28 -0.54 0.00 0.00 175.26 173.99 1wko n VAL 108 N 5.99 1.41 -3.96 3.70 0.31 -0.26 -4.84 118.33 120.68 1wko n VAL 108 Ca 0.10 -0.63 -0.29 0.00 -0.01 0.00 0.00 64.34 63.52 1wko n VAL 108 Cb 0.48 -1.12 -0.17 0.00 -0.91 0.00 0.00 33.84 32.12 1wko n VAL 108 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1wko s VAL 109 N -2.49 1.33 0.60 2.52 1.01 -0.90 -4.94 120.40 117.53 1wko s VAL 109 Ca -0.27 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1wko s VAL 109 Cb 0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1wko s VAL 109 CO 0.64 0.33 1.20 -0.94 0.00 0.00 0.00 175.10 176.33 1wko s SER 110 N 1.57 5.16 0.03 3.32 1.04 -1.26 -1.52 113.70 122.05 1wko s SER 110 Ca 0.03 2.35 -0.30 0.00 0.48 0.00 0.00 55.95 58.51 1wko s SER 110 Cb -0.14 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.30 1wko s SER 110 CO -0.09 -1.61 1.89 -0.47 0.98 0.00 0.00 173.24 173.94 1wko s TYR 111 N -1.67 1.53 -0.22 5.02 5.04 -1.25 -4.33 117.35 121.47 1wko s TYR 111 Ca 0.76 -0.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.03 1wko s TYR 111 Cb -0.29 -4.18 -0.04 0.00 0.35 0.00 0.00 41.96 37.80 1wko s TYR 111 CO 0.34 -5.16 0.10 -2.00 -1.34 0.00 0.00 175.55 167.48 1wko s GLU 112 N 4.12 3.91 0.31 4.97 2.12 0.24 -4.96 118.70 129.41 1wko s GLU 112 Ca 0.85 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 1wko s GLU 112 Cb -0.42 -3.35 -0.11 0.00 0.26 0.00 0.00 34.13 30.51 1wko s GLU 112 CO 0.39 0.07 1.56 -0.48 -0.54 0.00 0.00 175.26 176.25 1wko s LEU 113 N 0.96 4.34 0.07 2.70 2.34 -1.26 -4.89 118.68 122.94 1wko s LEU 113 Ca 0.05 2.95 -0.33 0.00 0.06 0.00 0.00 54.13 56.86 1wko s LEU 113 Cb -0.14 -3.64 -0.12 0.00 -0.56 0.00 0.00 46.19 41.73 1wko s LEU 113 CO 0.03 -0.89 1.76 -2.65 -1.06 0.00 0.00 176.35 173.55 1wko n PRO 114 N 1.78 2.39 -3.16 1.48 -0.02 -1.26 -4.94 135.00 131.27 1wko n PRO 114 Ca 0.06 0.87 -0.21 0.00 -2.02 0.00 0.00 63.50 62.20 1wko n PRO 114 Cb 0.38 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 1wko n PRO 114 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1wko n ARG 115 N 5.16 0.78 -1.93 -0.52 1.74 -1.26 -4.84 116.66 115.80 1wko n ARG 115 Ca 0.19 -3.17 -0.42 0.00 -0.77 0.00 0.00 57.85 53.69 1wko n ARG 115 Cb 0.32 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1wko n ARG 115 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wko s PRO 116 N -1.38 4.22 -0.14 5.56 0.04 -1.26 -4.93 135.00 137.11 1wko s PRO 116 Ca 0.36 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 63.61 1wko s PRO 116 Cb 0.22 -3.12 -0.24 0.00 0.04 0.00 0.00 34.50 31.39 1wko s PRO 116 CO -0.11 -0.56 0.42 1.03 0.04 0.00 0.00 177.00 177.82 1wko h SER 117 N 6.10 0.23 -3.47 6.66 0.87 -1.95 -3.32 113.55 118.68 1wko h SER 117 Ca -0.44 -0.76 -0.43 0.00 -1.23 0.00 0.00 61.79 58.93 1wko h SER 117 Cb 1.21 -0.08 -0.34 0.00 -0.44 0.00 0.00 62.40 62.76 1wko h SER 117 CO 0.87 1.58 -0.78 -0.63 -0.53 0.00 0.00 176.83 177.33 1wko s ILE 118 N -2.44 0.67 0.00 2.23 1.01 -1.20 -4.87 121.20 116.61 1wko s ILE 118 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1wko s ILE 118 Cb 0.05 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1wko s ILE 118 CO 0.70 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.50 1wko n GLY 119 N 3.94 -0.87 3.69 6.18 0.00 -1.26 -4.36 105.19 112.51 1wko n GLY 119 Ca -0.25 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1wko n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wko s ILE 120 N 0.00 5.28 0.05 -0.61 1.01 -1.26 -4.43 121.20 121.24 1wko s ILE 120 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.20 1wko s ILE 120 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1wko s ILE 120 CO 0.00 0.33 -0.09 -1.00 0.00 0.00 0.00 174.94 174.18 1wko s HIS 121 N 0.95 2.80 -0.16 3.97 3.76 0.02 -4.59 115.29 122.03 1wko s HIS 121 Ca 0.15 -0.11 -0.20 0.00 -0.15 0.00 0.00 55.06 54.75 1wko s HIS 121 Cb -0.14 -1.52 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1wko s HIS 121 CO 0.05 0.38 0.56 1.03 -0.85 0.00 0.00 174.74 175.91 1wko s ARG 122 N -1.75 4.26 -0.38 1.40 0.52 -1.26 -0.95 118.95 120.79 1wko s ARG 122 Ca 0.19 0.53 -0.09 0.00 -0.52 0.00 0.00 55.73 55.84 1wko s ARG 122 Cb -0.11 -3.52 0.05 0.00 0.52 0.00 0.00 34.95 31.89 1wko s ARG 122 CO 0.10 -0.07 0.19 -0.06 0.02 0.00 0.00 175.30 175.48 1wko s PHE 123 N 1.36 3.29 -0.17 -0.53 0.08 0.41 -3.97 117.98 118.45 1wko s PHE 123 Ca 0.27 -1.36 -0.04 0.00 0.12 0.00 0.00 56.93 55.93 1wko s PHE 123 Cb -0.16 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1wko s PHE 123 CO 0.11 -0.76 -0.03 0.08 -0.10 0.00 0.00 175.22 174.52 1wko s VAL 124 N 1.45 3.87 -0.16 -0.44 1.01 -0.18 -1.65 120.40 124.30 1wko s VAL 124 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1wko s VAL 124 Cb -0.21 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1wko s VAL 124 CO 0.03 0.48 0.06 -0.36 0.00 0.00 0.00 175.10 175.31 1wko s PHE 125 N 0.56 3.28 -0.05 5.22 0.40 0.69 -1.10 117.98 126.98 1wko s PHE 125 Ca -0.03 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1wko s PHE 125 Cb -0.14 -2.02 0.01 0.00 0.51 0.00 0.00 43.02 41.37 1wko s PHE 125 CO 0.03 0.26 -0.11 0.08 0.70 0.00 0.00 175.22 176.18 1wko s VAL 126 N 0.04 1.01 -0.07 -0.44 1.01 -0.10 -1.28 120.40 120.56 1wko s VAL 126 Ca 0.06 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1wko s VAL 126 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1wko s VAL 126 CO 0.01 0.32 -0.10 -0.22 0.00 0.00 0.00 175.10 175.10 1wko s LEU 127 N 0.46 2.97 0.10 3.92 2.96 -0.19 -1.16 118.68 127.73 1wko s LEU 127 Ca -0.09 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.78 1wko s LEU 127 Cb -0.13 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1wko s LEU 127 CO 0.02 0.33 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.79 1wko s PHE 128 N -0.59 1.90 -0.14 5.38 0.08 0.32 -0.50 117.98 124.43 1wko s PHE 128 Ca 0.09 -0.41 -0.19 0.00 0.12 0.00 0.00 56.93 56.54 1wko s PHE 128 Cb -0.12 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1wko s PHE 128 CO 0.02 0.22 0.53 0.50 -0.10 0.00 0.00 175.22 176.39 1wko s ARG 129 N -1.87 4.30 0.67 0.44 3.52 -1.26 -1.01 118.95 123.73 1wko s ARG 129 Ca 0.08 0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 56.05 1wko s ARG 129 Cb -0.10 -3.48 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 1wko s ARG 129 CO 0.04 0.03 1.11 -0.65 -0.81 0.00 0.00 175.30 175.02 1wko s GLN 130 N 1.03 2.74 0.60 5.12 -0.21 0.04 -4.65 119.66 124.33 1wko s GLN 130 Ca 0.27 1.37 -0.19 0.00 0.02 0.00 0.00 55.36 56.82 1wko s GLN 130 Cb -0.16 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 1wko s GLN 130 CO 0.11 -1.29 1.28 0.15 -2.12 0.00 0.00 175.29 173.42 1wko s LYS 131 N -4.18 2.87 0.31 2.91 -0.14 -1.26 -4.75 119.74 115.50 1wko s LYS 131 Ca 0.66 2.03 -0.29 0.00 -1.36 0.00 0.00 55.97 57.02 1wko s LYS 131 Cb -0.20 -1.99 -0.13 0.00 -1.68 0.00 0.00 37.83 33.83 1wko s LYS 131 CO 0.43 -1.34 1.24 1.04 -0.76 0.00 0.00 175.35 175.96 1wko n GLN 132 N -1.54 1.94 -3.53 1.68 6.02 -1.26 -2.72 117.38 117.97 1wko n GLN 132 Ca 0.14 0.68 -0.24 0.00 -0.01 0.00 0.00 57.00 57.57 1wko n GLN 132 Cb 0.48 -2.23 0.07 0.00 1.02 0.00 0.00 30.24 29.58 1wko n GLN 132 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wko n ARG 133 N 0.82 -7.56 -3.77 -1.09 1.74 -1.26 -5.00 116.66 100.53 1wko n ARG 133 Ca 0.07 0.84 -0.18 0.00 -0.77 0.00 0.00 57.85 57.81 1wko n ARG 133 Cb 0.34 -5.87 -0.17 0.00 -1.02 0.00 0.00 32.46 25.75 1wko n ARG 133 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wko s ARG 134 N -6.25 0.07 0.02 5.56 1.81 -1.10 -5.13 118.95 113.94 1wko s ARG 134 Ca 0.55 0.22 0.05 0.00 -1.72 0.00 0.00 55.73 54.84 1wko s ARG 134 Cb -0.24 -0.44 -0.03 0.00 -0.45 0.00 0.00 34.95 33.78 1wko s ARG 134 CO 0.69 -0.23 -0.12 0.14 -0.68 0.00 0.00 175.30 175.10 1wko s VAL 135 N 1.50 3.24 0.11 3.52 -7.23 -1.26 -4.72 120.40 115.56 1wko s VAL 135 Ca -0.03 -0.98 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 1wko s VAL 135 Cb -0.13 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1wko s VAL 135 CO -0.03 0.36 -0.18 0.27 -0.31 0.00 0.00 175.10 175.21 1wko s ILE 136 N -0.97 1.52 -0.40 -0.62 -4.36 -1.26 -5.09 121.20 110.01 1wko s ILE 136 Ca 0.16 -1.56 0.06 0.00 -0.26 0.00 0.00 60.65 59.06 1wko s ILE 136 Cb -0.11 -1.47 0.22 0.00 1.25 0.00 0.00 42.46 42.36 1wko s ILE 136 CO 0.07 -0.19 0.46 0.49 0.24 0.00 0.00 174.94 176.01 1wko n PHE 137 N 0.95 -0.54 -1.70 1.37 3.72 -1.26 -4.68 117.46 115.32 1wko n PHE 137 Ca -0.19 -3.47 -0.43 0.00 -0.05 0.00 0.00 57.45 53.31 1wko n PHE 137 Cb 0.55 -0.12 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 1wko n PHE 137 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wko n PRO 138 N 1.94 2.26 -3.27 -1.08 -0.02 -1.26 -4.97 135.00 128.59 1wko n PRO 138 Ca 0.24 0.80 -0.45 0.00 -2.02 0.00 0.00 63.50 62.08 1wko n PRO 138 Cb 0.51 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1wko n PRO 138 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1wko s ASN 139 N 0.24 6.18 -0.39 2.55 2.47 -1.26 -4.95 114.94 119.78 1wko s ASN 139 Ca 0.64 -1.37 -0.08 0.00 0.42 0.00 0.00 52.86 52.48 1wko s ASN 139 Cb -0.59 -2.23 0.07 0.00 -1.45 0.00 0.00 41.25 37.05 1wko s ASN 139 CO 0.52 -0.83 0.20 -0.63 -3.72 0.00 0.00 177.10 172.63 1wko s ILE 140 N 2.03 3.98 0.07 -5.21 -1.09 -1.26 -4.97 121.20 114.75 1wko s ILE 140 Ca 0.07 -1.36 0.22 0.00 -2.23 0.00 0.00 60.65 57.35 1wko s ILE 140 Cb -0.25 -3.40 0.19 0.00 -1.58 0.00 0.00 42.46 37.43 1wko s ILE 140 CO 0.07 -0.40 1.74 1.55 -1.23 0.00 0.00 174.94 176.66 1wko h PRO 141 N 8.31 0.00 -3.34 2.79 0.13 -2.01 -3.45 132.00 134.43 1wko h PRO 141 Ca -0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.75 1wko h PRO 141 Cb 1.08 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.98 1wko h PRO 141 CO 0.70 0.29 -0.46 0.45 -0.23 0.00 0.00 178.00 178.74 1wko s SER 142 N -6.27 -0.11 0.09 1.44 0.15 -1.26 -5.05 113.70 102.69 1wko s SER 142 Ca 0.01 0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.04 1wko s SER 142 Cb 0.10 0.32 0.65 0.00 -1.71 0.00 0.00 66.02 65.37 1wko s SER 142 CO 0.66 -0.23 1.56 0.54 1.20 0.00 0.00 173.24 176.97 1wko n ARG 143 N 2.17 0.17 -3.45 5.44 1.74 -1.26 -4.84 116.66 116.62 1wko n ARG 143 Ca -0.18 0.08 -0.27 0.00 -0.77 0.00 0.00 57.85 56.71 1wko n ARG 143 Cb 0.57 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1wko n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wko s ASP 144 N -3.81 6.40 -1.64 0.55 1.01 -1.26 -0.00 116.67 117.91 1wko s ASP 144 Ca 0.10 0.57 -0.02 0.00 0.71 0.00 0.00 52.55 53.91 1wko s ASP 144 Cb 0.15 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 42.00 1wko s ASP 144 CO 0.65 -0.17 0.26 1.41 0.21 0.00 0.00 175.17 177.54 1wko n HIS 145 N -1.00 -1.44 -2.52 4.23 8.25 -0.82 -4.90 115.22 117.02 1wko n HIS 145 Ca -0.03 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 57.30 1wko n HIS 145 Cb 0.54 -4.10 -0.03 0.00 1.12 0.00 0.00 29.99 27.52 1wko n HIS 145 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1wko s PHE 146 N -3.07 3.06 -0.24 4.41 5.36 -0.18 -4.55 117.98 122.76 1wko s PHE 146 Ca 0.13 1.59 -0.02 0.00 -0.96 0.00 0.00 56.93 57.68 1wko s PHE 146 Cb -0.06 -3.11 0.07 0.00 -0.34 0.00 0.00 43.02 39.59 1wko s PHE 146 CO 0.17 -0.82 0.05 1.21 -1.46 0.00 0.00 175.22 174.36 1wko s ASN 147 N -1.81 3.40 0.21 6.13 3.84 -1.26 -0.54 114.94 124.91 1wko s ASN 147 Ca 0.64 -1.15 -0.09 0.00 0.21 0.00 0.00 52.86 52.48 1wko s ASN 147 Cb -0.19 -0.73 0.16 0.00 -0.55 0.00 0.00 41.25 39.94 1wko s ASN 147 CO 0.23 -0.34 1.82 0.74 -2.79 0.00 0.00 177.10 176.76 1wko h THR 148 N 6.52 1.24 -0.67 -5.21 2.02 -1.97 0.56 112.91 115.40 1wko h THR 148 Ca -0.16 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1wko h THR 148 Cb 1.08 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1wko h THR 148 CO 0.39 0.27 0.38 0.03 0.37 0.00 0.00 175.52 176.96 1wko h ARG 149 N 1.08 0.92 -0.07 6.66 3.08 -1.96 -1.19 114.38 122.91 1wko h ARG 149 Ca 0.27 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 1wko h ARG 149 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1wko h ARG 149 CO -0.04 0.68 -0.61 0.87 -1.07 0.00 0.00 179.97 179.80 1wko h LYS 150 N 0.91 0.26 -0.40 0.04 1.57 -1.77 -2.39 116.57 114.79 1wko h LYS 150 Ca 0.24 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1wko h LYS 150 Cb 0.01 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1wko h LYS 150 CO -0.04 0.79 0.16 0.35 -0.57 0.00 0.00 179.45 180.14 1wko h PHE 151 N 0.19 0.61 -0.45 -1.35 3.57 -0.62 0.51 116.94 119.40 1wko h PHE 151 Ca -0.01 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1wko h PHE 151 Cb 1.12 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1wko h PHE 151 CO 0.02 0.53 0.10 0.00 -2.23 0.00 0.00 178.31 176.74 1wko h ALA 152 N 1.01 1.34 -0.44 2.41 0.00 -1.02 -1.65 119.26 120.92 1wko h ALA 152 Ca 0.13 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1wko h ALA 152 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wko h ALA 152 CO -0.01 0.47 -0.15 0.28 0.00 0.00 0.00 179.25 179.83 1wko h VAL 153 N 0.65 1.27 -0.86 0.00 2.07 -1.05 0.10 116.25 118.44 1wko h VAL 153 Ca 0.15 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1wko h VAL 153 Cb 0.26 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1wko h VAL 153 CO -0.00 0.44 0.42 -0.08 0.02 0.00 0.00 177.57 178.36 1wko h GLU 154 N 0.71 1.23 -0.57 1.57 4.81 -0.29 -2.92 114.58 119.11 1wko h GLU 154 Ca 0.11 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1wko h GLU 154 Cb 0.70 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1wko h GLU 154 CO 0.05 0.94 0.00 0.66 -0.73 0.00 0.00 179.01 179.93 1wko n TYR 155 N -4.31 1.42 -3.61 0.92 4.01 -0.68 -4.96 117.16 109.95 1wko n TYR 155 Ca 0.09 -0.65 -0.21 0.00 -0.16 0.00 0.00 57.90 56.97 1wko n TYR 155 Cb 0.14 -0.27 0.06 0.00 -0.31 0.00 0.00 39.34 38.95 1wko n TYR 155 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wko n ASP 156 N 0.82 -2.16 -0.90 7.72 -0.08 -0.76 -4.85 116.55 116.34 1wko n ASP 156 Ca 0.24 -0.72 0.11 0.00 -1.51 0.00 0.00 54.79 52.91 1wko n ASP 156 Cb 0.90 -4.50 0.09 0.00 2.34 0.00 0.00 41.12 39.95 1wko n ASP 156 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wko n LEU 157 N -4.31 2.87 0.00 -2.67 4.77 0.28 -4.04 117.00 113.90 1wko n LEU 157 Ca -0.25 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 1wko n LEU 157 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1wko n LEU 157 CO 0.66 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1wko n GLY 158 N 1.29 1.37 3.92 -0.72 0.00 -1.26 -4.27 105.19 105.53 1wko n GLY 158 Ca 0.13 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1wko n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wko s LEU 159 N 0.00 4.02 0.50 0.99 1.43 -1.26 -4.83 118.68 119.53 1wko s LEU 159 Ca 0.00 0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 53.45 1wko s LEU 159 Cb 0.00 -3.42 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1wko s LEU 159 CO 0.00 -0.26 1.15 -2.65 0.23 0.00 0.00 176.35 174.82 1wko n PRO 160 N -1.41 1.46 -0.00 1.29 -0.02 -1.26 -4.59 135.00 130.46 1wko n PRO 160 Ca -0.03 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 1wko n PRO 160 Cb 0.55 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 1wko n PRO 160 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1wko n VAL 161 N -0.88 0.00 -3.51 -1.45 0.24 0.35 -4.62 118.33 108.46 1wko n VAL 161 Ca 0.10 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 1wko n VAL 161 Cb 0.43 0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 33.37 1wko n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wko s ALA 162 N -3.07 -1.79 -0.04 2.33 0.00 -1.19 -1.11 121.76 116.88 1wko s ALA 162 Ca 0.02 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.90 1wko s ALA 162 Cb 0.14 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.36 1wko s ALA 162 CO 0.82 -0.47 0.57 0.00 0.00 0.00 0.00 175.76 176.68 1wko s ALA 163 N -1.90 -1.49 0.05 0.00 0.00 -1.26 -1.02 121.76 116.14 1wko s ALA 163 Ca -0.04 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 1wko s ALA 163 Cb -0.00 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1wko s ALA 163 CO 0.01 -0.34 0.22 0.54 0.00 0.00 0.00 175.76 176.19 1wko s VAL 164 N -1.21 0.11 0.09 0.00 0.11 -0.40 -5.00 120.40 114.09 1wko s VAL 164 Ca -0.12 -0.91 -0.14 0.00 -2.93 0.00 0.00 61.98 57.89 1wko s VAL 164 Cb -0.02 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1wko s VAL 164 CO 0.08 -0.50 0.32 0.72 -3.33 0.00 0.00 175.10 172.39 1wko s PHE 165 N -2.90 -0.09 0.21 1.54 -0.71 -1.26 -0.22 117.98 114.55 1wko s PHE 165 Ca -0.02 -0.19 0.08 0.00 -1.04 0.00 0.00 56.93 55.76 1wko s PHE 165 Cb 0.00 0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 1wko s PHE 165 CO -0.06 -0.59 -0.15 -0.59 -1.34 0.00 0.00 175.22 172.49 1wko s PHE 166 N -3.37 1.78 -0.09 3.49 -0.12 -0.66 -0.97 117.98 118.04 1wko s PHE 166 Ca 0.01 -0.54 -0.05 0.00 -0.05 0.00 0.00 56.93 56.30 1wko s PHE 166 Cb 0.02 -0.82 -0.04 0.00 -0.63 0.00 0.00 43.02 41.55 1wko s PHE 166 CO -0.09 0.40 0.11 -0.80 -0.05 0.00 0.00 175.22 174.79 1wko s ASN 167 N -3.32 6.05 -0.06 1.98 0.01 -0.75 -0.45 114.94 118.40 1wko s ASN 167 Ca 0.23 0.35 -0.12 0.00 -0.71 0.00 0.00 52.86 52.61 1wko s ASN 167 Cb -0.01 -1.88 0.02 0.00 0.41 0.00 0.00 41.25 39.79 1wko s ASN 167 CO 0.08 0.38 0.28 0.00 -1.51 0.00 0.00 177.10 176.33 1wko s ALA 168 N -1.04 -0.71 0.16 0.60 0.00 -0.12 -1.09 121.76 119.57 1wko s ALA 168 Ca 0.16 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.64 1wko s ALA 168 Cb -0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1wko s ALA 168 CO 0.06 -0.20 0.00 1.14 0.00 0.00 0.00 175.76 176.76 1wko s GLN 169 N -0.66 1.07 0.24 0.00 -2.07 -1.26 -0.80 119.66 116.17 1wko s GLN 169 Ca -0.08 -1.51 -0.31 0.00 -1.82 0.00 0.00 55.36 51.64 1wko s GLN 169 Cb -0.04 -0.20 -0.13 0.00 -1.09 0.00 0.00 33.01 31.55 1wko s GLN 169 CO 0.02 -0.14 1.43 -2.13 -1.32 0.00 0.00 175.29 173.15 1wko n ARG 170 N -0.21 2.06 0.00 9.60 0.63 -1.25 -4.54 116.66 122.95 1wko n ARG 170 Ca -0.07 0.74 0.09 0.00 -0.92 0.00 0.00 57.85 57.68 1wko n ARG 170 Cb 0.63 -2.40 0.50 0.00 0.45 0.00 0.00 32.46 31.64 1wko n ARG 170 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51