#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvc n SER 9 N 0.00 0.00 -4.39 -2.24 3.41 -1.26 -5.05 113.62 104.09 2wvc n SER 9 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2wvc n SER 9 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2wvc n SER 9 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wvc s ILE 10 N 2.43 4.16 0.15 -1.33 1.09 -1.26 -5.10 121.20 121.35 2wvc s ILE 10 Ca 0.00 -0.47 0.03 0.00 -1.10 0.00 0.00 60.65 59.11 2wvc s ILE 10 Cb 0.00 -3.07 -0.04 0.00 -1.06 0.00 0.00 42.46 38.30 2wvc s ILE 10 CO 0.00 0.17 0.24 -0.63 -0.10 0.00 0.00 174.94 174.63 2wvc s ILE 11 N 1.56 5.13 -0.04 2.92 1.09 -1.26 -5.12 121.20 125.47 2wvc s ILE 11 Ca 0.04 -0.76 0.06 0.00 -1.10 0.00 0.00 60.65 58.89 2wvc s ILE 11 Cb -0.16 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 2wvc s ILE 11 CO 0.03 -0.08 -0.21 -0.13 -0.10 0.00 0.00 174.94 174.45 2wvc s ARG 12 N -3.16 2.38 0.11 2.79 0.52 -1.26 -5.14 118.95 115.19 2wvc s ARG 12 Ca 0.34 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2wvc s ARG 12 Cb -0.11 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2wvc s ARG 12 CO 0.27 0.54 -0.08 -0.59 0.02 0.00 0.00 175.30 175.46 2wvc s PHE 13 N -0.54 0.98 -0.09 -0.53 -0.12 -1.26 -5.16 117.98 111.27 2wvc s PHE 13 Ca 0.07 -0.83 -0.09 0.00 -0.05 0.00 0.00 56.93 56.04 2wvc s PHE 13 Cb -0.11 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.69 2wvc s PHE 13 CO 0.01 -0.08 0.21 0.45 -0.05 0.00 0.00 175.22 175.76 2wvc s SER 14 N -2.92 6.50 0.04 1.98 0.15 -1.26 -5.10 113.70 113.10 2wvc s SER 14 Ca 0.11 0.60 0.07 0.00 0.70 0.00 0.00 55.95 57.43 2wvc s SER 14 Cb 0.03 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 2wvc s SER 14 CO -0.03 0.39 -0.20 -0.69 1.20 0.00 0.00 173.24 173.91 2wvc s VAL 15 N -1.04 1.60 -0.16 4.45 1.01 -1.26 -5.14 120.40 119.86 2wvc s VAL 15 Ca 0.17 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2wvc s VAL 15 Cb -0.13 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2wvc s VAL 15 CO 0.07 0.21 -0.21 -0.94 0.00 0.00 0.00 175.10 174.23 2wvc s SER 16 N -1.10 3.08 0.08 3.32 1.04 -1.26 -5.12 113.70 113.74 2wvc s SER 16 Ca 0.07 -0.61 0.09 0.00 0.48 0.00 0.00 55.95 55.97 2wvc s SER 16 Cb -0.09 -1.44 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 2wvc s SER 16 CO 0.01 0.04 -0.23 -0.76 0.98 0.00 0.00 173.24 173.28 2wvc s LEU 17 N 1.04 2.23 0.40 2.42 1.43 -1.26 -5.12 118.68 119.82 2wvc s LEU 17 Ca -0.02 -0.63 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 2wvc s LEU 17 Cb -0.14 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.93 2wvc s LEU 17 CO -0.07 0.16 1.23 0.00 0.23 0.00 0.00 176.35 177.90 2wvc s GLN 18 N -1.57 4.03 0.26 1.70 1.03 -1.26 -4.80 119.66 119.06 2wvc s GLN 18 Ca 0.09 1.99 -0.10 0.00 0.04 0.00 0.00 55.36 57.38 2wvc s GLN 18 Cb -0.10 -2.73 0.39 0.00 0.03 0.00 0.00 33.01 30.60 2wvc s GLN 18 CO 0.03 -0.38 1.57 1.96 -2.54 0.00 0.00 175.29 175.93 2wvc h GLN 19 N 2.70 -0.01 -0.93 9.60 1.08 -2.00 0.96 115.11 126.52 2wvc h GLN 19 Ca -0.49 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.83 2wvc h GLN 19 Cb 1.24 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.60 2wvc h GLN 19 CO 0.63 -0.00 0.59 -2.95 -0.95 0.00 0.00 178.83 176.15 2wvc h ASN 20 N -0.01 0.80 -0.12 1.46 -1.07 -1.99 0.17 115.58 114.83 2wvc h ASN 20 Ca 0.43 0.04 -0.17 0.00 0.07 0.00 0.00 56.30 56.67 2wvc h ASN 20 Cb 0.67 -0.13 0.01 0.00 -2.07 0.00 0.00 38.32 36.80 2wvc h ASN 20 CO -0.96 0.44 -0.58 0.25 0.07 0.00 0.00 177.43 176.65 2wvc h LEU 21 N 0.87 0.72 -0.63 6.14 5.85 -1.21 -2.72 115.31 124.32 2wvc h LEU 21 Ca 0.45 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2wvc h LEU 21 Cb 0.52 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2wvc h LEU 21 CO -0.21 1.24 0.33 0.25 -0.34 0.00 0.00 178.44 179.70 2wvc h LEU 22 N 0.24 0.80 -1.03 2.25 5.85 -0.33 -0.71 115.31 122.37 2wvc h LEU 22 Ca -0.04 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 2wvc h LEU 22 Cb 1.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2wvc h LEU 22 CO 0.12 0.68 0.10 0.44 -0.34 0.00 0.00 178.44 179.44 2wvc h ASP 23 N 0.86 0.74 -0.18 1.25 3.32 -0.74 0.04 116.42 121.71 2wvc h ASP 23 Ca 0.22 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 2wvc h ASP 23 Cb 0.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wvc h ASP 23 CO -0.03 0.75 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.66 2wvc h GLU 24 N 0.76 0.76 -0.25 3.56 4.57 -1.15 -1.40 114.58 121.44 2wvc h GLU 24 Ca 0.17 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2wvc h GLU 24 Cb 0.32 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2wvc h GLU 24 CO 0.00 1.08 0.14 1.25 -1.18 0.00 0.00 179.01 180.30 2wvc h LEU 25 N 0.60 0.30 -0.70 1.64 5.85 -0.69 0.43 115.31 122.74 2wvc h LEU 25 Ca 0.03 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2wvc h LEU 25 Cb 1.07 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 2wvc h LEU 25 CO 0.11 0.29 0.43 0.44 -0.34 0.00 0.00 178.44 179.37 2wvc h ASP 26 N 0.29 0.71 -0.86 1.25 3.32 -0.93 -0.05 116.42 120.15 2wvc h ASP 26 Ca 0.09 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2wvc h ASP 26 Cb 0.05 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2wvc h ASP 26 CO -0.01 0.49 0.44 -1.13 -1.72 0.00 0.00 179.24 177.30 2wvc h ASN 27 N 0.84 1.11 -0.25 6.45 -0.00 -0.93 -2.80 115.58 120.00 2wvc h ASN 27 Ca 0.28 -0.12 -0.12 0.00 -0.00 0.00 0.00 56.30 56.34 2wvc h ASN 27 Cb 0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.06 2wvc h ASN 27 CO -0.11 0.91 -0.28 -0.09 -0.00 0.00 0.00 177.43 177.86 2wvc h ARG 28 N 1.22 0.75 -0.52 6.67 9.65 -0.18 -1.66 114.38 130.32 2wvc h ARG 28 Ca 0.30 -0.33 0.04 0.00 -1.10 0.00 0.00 59.98 58.89 2wvc h ARG 28 Cb 0.08 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.59 2wvc h ARG 28 CO -0.04 0.94 0.27 0.82 2.80 0.00 0.00 179.97 184.76 2wvc h ILE 29 N 0.64 0.97 -0.09 1.20 2.04 -0.81 -0.75 117.51 120.72 2wvc h ILE 29 Ca 0.08 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 2wvc h ILE 29 Cb 0.80 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2wvc h ILE 29 CO 0.07 0.10 -0.06 0.40 0.00 0.00 0.00 178.15 178.66 2wvc h ILE 30 N 0.53 1.34 -0.86 -0.67 2.04 -1.34 0.20 117.51 118.74 2wvc h ILE 30 Ca 0.23 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2wvc h ILE 30 Cb 0.12 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2wvc h ILE 30 CO -0.15 0.32 0.55 0.11 0.00 0.00 0.00 178.15 178.98 2wvc h LYS 31 N -0.20 1.14 -0.44 2.37 1.57 -1.15 -3.07 116.57 116.79 2wvc h LYS 31 Ca 0.02 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wvc h LYS 31 Cb 0.53 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wvc h LYS 31 CO 0.02 0.77 0.00 0.09 -0.57 0.00 0.00 179.45 179.76 2wvc n ASN 32 N -4.39 3.44 -0.22 0.86 4.13 -0.30 -4.96 115.26 113.82 2wvc n ASN 32 Ca 0.10 -1.98 -0.02 0.00 1.68 0.00 0.00 54.58 54.35 2wvc n ASN 32 Cb 0.03 -0.29 -0.00 0.00 -1.54 0.00 0.00 39.78 37.98 2wvc n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvc n GLY 33 N 1.52 0.38 3.90 7.41 0.00 -0.99 -5.05 105.19 112.36 2wvc n GLY 33 Ca 0.20 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 2wvc n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvc s TYR 34 N -2.10 3.57 -0.18 1.61 1.51 0.02 -5.02 117.35 116.77 2wvc s TYR 34 Ca 0.00 0.95 0.19 0.00 -1.01 0.00 0.00 57.07 57.19 2wvc s TYR 34 Cb 0.00 -2.44 -0.27 0.00 -0.11 0.00 0.00 41.96 39.13 2wvc s TYR 34 CO 0.00 -0.42 0.48 0.43 -1.11 0.00 0.00 175.55 174.92 2wvc n SER 35 N -2.42 0.74 -3.47 2.29 7.64 -1.26 -4.61 113.62 112.52 2wvc n SER 35 Ca 0.02 -0.17 -0.12 0.00 1.01 0.00 0.00 58.87 59.62 2wvc n SER 35 Cb 0.55 1.70 -0.02 0.00 -1.01 0.00 0.00 64.21 65.43 2wvc n SER 35 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wvc s SER 36 N -3.90 -0.52 0.22 6.43 1.04 -1.26 -5.02 113.70 110.69 2wvc s SER 36 Ca -0.04 -0.07 -0.09 0.00 0.48 0.00 0.00 55.95 56.23 2wvc s SER 36 Cb 0.12 0.59 0.21 0.00 0.10 0.00 0.00 66.02 67.04 2wvc s SER 36 CO 0.77 -0.98 1.88 0.03 0.98 0.00 0.00 173.24 175.93 2wvc h ARG 37 N 2.04 1.01 -0.99 4.02 3.08 -1.96 -2.57 114.38 119.00 2wvc h ARG 37 Ca -0.33 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.70 2wvc h ARG 37 Cb 1.30 -0.23 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 2wvc h ARG 37 CO 0.38 0.67 0.65 1.03 -1.07 0.00 0.00 179.97 181.62 2wvc h SER 38 N 1.04 1.06 -0.19 7.04 0.87 -1.99 -1.22 113.55 120.16 2wvc h SER 38 Ca 0.31 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 2wvc h SER 38 Cb -0.05 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 2wvc h SER 38 CO -0.09 0.71 -0.15 -0.08 -0.53 0.00 0.00 176.83 176.70 2wvc h GLU 39 N 1.22 0.44 0.01 2.24 4.81 -1.87 -1.58 114.58 119.85 2wvc h GLU 39 Ca 0.40 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2wvc h GLU 39 Cb 0.05 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2wvc h GLU 39 CO -0.14 0.77 -0.00 1.25 -0.73 0.00 0.00 179.01 180.16 2wvc h LEU 40 N 0.11 -0.01 -1.19 1.64 5.85 -1.25 -1.69 115.31 118.77 2wvc h LEU 40 Ca 0.04 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.51 2wvc h LEU 40 Cb 0.66 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 2wvc h LEU 40 CO 0.04 0.31 0.57 0.58 -0.34 0.00 0.00 178.44 179.60 2wvc h VAL 41 N -0.33 1.04 -0.30 1.05 2.07 -1.29 0.14 116.25 118.65 2wvc h VAL 41 Ca -0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2wvc h VAL 41 Cb 0.32 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2wvc h VAL 41 CO 0.00 0.18 0.14 -0.09 0.02 0.00 0.00 177.57 177.81 2wvc h ARG 42 N 0.97 0.43 -0.70 1.57 2.43 -1.15 -1.65 114.38 116.28 2wvc h ARG 42 Ca 0.38 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2wvc h ARG 42 Cb 0.25 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2wvc h ARG 42 CO -0.15 0.42 0.25 -0.44 -1.51 0.00 0.00 179.97 178.55 2wvc h ASP 43 N 0.34 0.98 -0.95 -3.80 5.19 -0.48 -2.57 116.42 115.13 2wvc h ASP 43 Ca 0.10 -0.19 0.07 0.00 -0.62 0.00 0.00 57.03 56.39 2wvc h ASP 43 Cb 0.14 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 39.32 2wvc h ASP 43 CO -0.01 0.90 0.60 0.24 -3.12 0.00 0.00 179.24 177.86 2wvc h MET 44 N 1.00 1.06 -0.20 3.56 2.86 -0.50 -2.49 114.93 120.21 2wvc h MET 44 Ca 0.23 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 2wvc h MET 44 Cb 0.25 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2wvc h MET 44 CO -0.01 0.70 -0.45 0.82 1.06 0.00 0.00 176.91 179.03 2wvc h ILE 45 N 1.09 1.31 -0.33 -1.22 2.04 -0.96 -1.24 117.51 118.19 2wvc h ILE 45 Ca 0.42 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 2wvc h ILE 45 Cb 0.19 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2wvc h ILE 45 CO -0.18 0.51 0.12 0.03 0.00 0.00 0.00 178.15 178.63 2wvc h ARG 46 N 0.41 0.50 0.19 2.37 3.08 -1.09 -2.46 114.38 117.38 2wvc h ARG 46 Ca 0.03 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2wvc h ARG 46 Cb 0.95 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2wvc h ARG 46 CO 0.08 0.52 -0.09 0.93 -1.07 0.00 0.00 179.97 180.34 2wvc h GLU 47 N 0.38 -0.25 -0.78 0.04 5.08 -1.34 -3.20 114.58 114.51 2wvc h GLU 47 Ca 0.11 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.55 2wvc h GLU 47 Cb 0.22 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2wvc h GLU 47 CO -0.01 -0.00 0.51 0.87 -1.00 0.00 0.00 179.01 179.38 2wvc h LYS 48 N -0.47 0.83 -0.05 2.33 6.56 -1.24 -1.81 116.57 122.71 2wvc h LYS 48 Ca -0.03 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2wvc h LYS 48 Cb 0.36 -0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 2wvc h LYS 48 CO 0.04 0.55 0.04 -0.07 -2.06 0.00 0.00 179.45 177.95 2wvc h LEU 49 N 0.85 0.03 -3.37 2.94 4.07 -1.43 -3.09 115.31 115.31 2wvc h LEU 49 Ca 0.34 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 2wvc h LEU 49 Cb 0.23 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2wvc h LEU 49 CO -0.12 0.02 0.00 1.33 -1.08 0.00 0.00 178.44 178.60 2wvc n VAL 50 N -4.53 2.46 -4.31 1.22 0.24 -0.68 -5.00 118.33 107.73 2wvc n VAL 50 Ca -0.02 -1.71 -0.16 0.00 -2.04 0.00 0.00 64.34 60.41 2wvc n VAL 50 Cb 0.12 -0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 32.13 2wvc n VAL 50 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2wvc s GLU 51 N -2.80 1.27 -0.88 7.34 -1.05 -1.17 -5.10 118.70 116.31 2wvc s GLU 51 Ca 0.47 -1.63 -0.29 0.00 -0.15 0.00 0.00 54.97 53.37 2wvc s GLU 51 Cb 0.37 -0.55 -0.19 0.00 -0.44 0.00 0.00 34.13 33.32 2wvc s GLU 51 CO 0.12 -0.09 2.62 -0.25 0.95 0.00 0.00 175.26 178.61 2wvc n ASP 52 N -0.36 0.75 -0.03 0.83 8.00 -1.26 -5.02 116.55 119.46 2wvc n ASP 52 Ca -0.06 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2wvc n ASP 52 Cb 0.63 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2wvc n ASP 52 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2wvc n GLU 56 N 8.58 0.00 -4.00 -1.24 0.28 -1.26 -5.16 120.64 117.84 2wvc n GLU 56 Ca 0.59 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 57.26 2wvc n GLU 56 Cb 0.16 -0.11 -0.14 0.00 1.43 0.00 0.00 31.44 32.77 2wvc n GLU 56 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2wvc s ASP 57 N -1.48 4.69 0.13 -1.84 -0.00 -1.26 -5.09 116.67 111.82 2wvc s ASP 57 Ca 0.00 -1.55 -0.33 0.00 -0.00 0.00 0.00 52.55 50.67 2wvc s ASP 57 Cb 0.00 -1.63 -0.12 0.00 -0.00 0.00 0.00 42.92 41.17 2wvc s ASP 57 CO 0.00 -0.27 1.74 0.59 -0.00 0.00 0.00 175.17 177.23 2wvc n ASN 58 N 4.46 3.67 -4.75 0.27 5.03 -1.26 -4.94 115.26 117.74 2wvc n ASN 58 Ca -0.10 1.03 -0.41 0.00 0.87 0.00 0.00 54.58 55.97 2wvc n ASN 58 Cb 0.42 -1.49 -0.02 0.00 -1.02 0.00 0.00 39.78 37.67 2wvc n ASN 58 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2wvc s PRO 59 N 1.99 4.16 0.30 3.52 0.04 -1.26 -5.01 135.00 138.74 2wvc s PRO 59 Ca 0.81 2.51 0.07 0.00 0.04 0.00 0.00 61.00 64.42 2wvc s PRO 59 Cb -0.57 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 2wvc s PRO 59 CO 0.38 -0.56 0.25 0.27 0.04 0.00 0.00 177.00 177.38 2wvc n ASN 60 N 1.89 -0.59 -0.20 6.66 0.23 -1.26 -4.97 115.26 117.03 2wvc n ASN 60 Ca 0.06 -2.96 0.13 0.00 -0.53 0.00 0.00 54.58 51.29 2wvc n ASN 60 Cb 0.38 1.48 0.46 0.00 -2.08 0.00 0.00 39.78 40.03 2wvc n ASN 60 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2wvc n ASP 61 N -1.82 0.81 -4.69 0.53 9.92 -1.26 -2.33 116.55 117.71 2wvc n ASP 61 Ca 0.07 -0.76 -0.44 0.00 -0.53 0.00 0.00 54.79 53.13 2wvc n ASP 61 Cb 0.54 0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 41.05 2wvc n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wvc n GLU 62 N -0.77 2.23 -2.40 -1.24 1.02 -1.26 -4.69 120.64 113.53 2wvc n GLU 62 Ca 0.13 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.65 2wvc n GLU 62 Cb 0.32 -2.47 -0.04 0.00 -0.02 0.00 0.00 31.44 29.23 2wvc n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2wvc s SER 63 N 0.27 7.14 0.02 1.62 0.15 -1.26 -4.00 113.70 117.64 2wvc s SER 63 Ca 0.65 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.58 2wvc s SER 63 Cb -0.60 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 61.08 2wvc s SER 63 CO 0.51 -0.29 -0.03 -0.54 1.20 0.00 0.00 173.24 174.09 2wvc s LYS 64 N -0.81 0.30 0.09 5.44 1.02 -0.32 -4.88 119.74 120.59 2wvc s LYS 64 Ca 0.49 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.75 2wvc s LYS 64 Cb -0.33 0.08 -0.07 0.00 -0.52 0.00 0.00 37.83 36.99 2wvc s LYS 64 CO 0.39 -0.04 0.52 -1.50 -0.92 0.00 0.00 175.35 173.80 2wvc s ILE 65 N -1.35 4.87 0.10 2.17 2.07 -0.63 -1.43 121.20 127.00 2wvc s ILE 65 Ca -0.14 0.93 -0.10 0.00 -1.41 0.00 0.00 60.65 59.92 2wvc s ILE 65 Cb -0.09 -3.78 0.01 0.00 0.13 0.00 0.00 42.46 38.73 2wvc s ILE 65 CO -0.01 0.41 0.23 0.00 -1.91 0.00 0.00 174.94 173.67 2wvc s ALA 66 N -1.27 -0.35 -0.09 1.50 0.00 0.81 -1.73 121.76 120.63 2wvc s ALA 66 Ca 0.32 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.78 2wvc s ALA 66 Cb -0.17 0.54 0.01 0.00 0.00 0.00 0.00 23.12 23.50 2wvc s ALA 66 CO 0.18 -0.54 -0.15 0.08 0.00 0.00 0.00 175.76 175.33 2wvc s VAL 67 N -3.85 1.38 -0.26 0.00 1.01 0.18 -1.17 120.40 117.70 2wvc s VAL 67 Ca 0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2wvc s VAL 67 Cb 0.04 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2wvc s VAL 67 CO -0.11 0.41 0.07 -0.22 0.00 0.00 0.00 175.10 175.25 2wvc s LEU 68 N 0.82 3.48 -0.29 3.92 2.96 0.03 -0.41 118.68 129.18 2wvc s LEU 68 Ca -0.11 -0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 2wvc s LEU 68 Cb -0.16 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2wvc s LEU 68 CO 0.02 -0.06 0.28 -0.69 -1.32 0.00 0.00 176.35 174.57 2wvc s VAL 69 N 1.60 5.25 -0.13 1.68 1.01 0.17 -0.79 120.40 129.18 2wvc s VAL 69 Ca 0.06 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2wvc s VAL 69 Cb -0.15 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2wvc s VAL 69 CO 0.03 0.15 -0.22 -0.69 0.00 0.00 0.00 175.10 174.38 2wvc s VAL 70 N 1.89 2.01 -0.18 2.92 1.01 0.26 -0.73 120.40 127.58 2wvc s VAL 70 Ca 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 2wvc s VAL 70 Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2wvc s VAL 70 CO 0.11 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 175.11 2wvc s ILE 71 N 0.77 4.08 0.16 2.22 1.01 -0.93 -0.07 121.20 128.44 2wvc s ILE 71 Ca -0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2wvc s ILE 71 Cb -0.16 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2wvc s ILE 71 CO -0.01 0.46 0.26 -0.72 0.00 0.00 0.00 174.94 174.93 2wvc s TYR 72 N 0.60 0.43 -0.45 3.97 -0.85 -0.54 0.33 117.35 120.84 2wvc s TYR 72 Ca -0.01 -0.80 -0.29 0.00 -0.52 0.00 0.00 57.07 55.45 2wvc s TYR 72 Cb -0.14 -0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.12 2wvc s TYR 72 CO 0.02 -0.69 1.24 0.34 -1.52 0.00 0.00 175.55 174.94 2wvc s ASP 73 N -2.97 6.53 0.34 -0.18 -1.08 0.35 -0.64 116.67 119.02 2wvc s ASP 73 Ca 0.17 0.61 0.26 0.00 -0.52 0.00 0.00 52.55 53.07 2wvc s ASP 73 Cb 0.04 -2.55 1.18 0.00 -1.46 0.00 0.00 42.92 40.13 2wvc s ASP 73 CO -0.00 -1.32 1.77 1.23 0.52 0.00 0.00 175.17 177.37 2wvc h GLY 74 N 11.57 0.00 -0.77 2.66 0.00 -1.54 -2.19 103.07 112.80 2wvc h GLY 74 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2wvc h GLY 74 CO 1.11 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 178.23 2wvc n GLY 75 N -0.45 0.19 3.57 4.60 0.00 -1.26 -4.82 105.19 107.02 2wvc n GLY 75 Ca 0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 2wvc n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wvc s GLN 76 N -2.04 3.50 0.28 1.61 2.00 -0.83 -4.99 119.66 119.20 2wvc s GLN 76 Ca 0.34 0.20 -0.30 0.00 -2.00 0.00 0.00 55.36 53.60 2wvc s GLN 76 Cb 0.21 -4.01 -0.11 0.00 0.80 0.00 0.00 33.01 29.89 2wvc s GLN 76 CO 0.34 -1.61 1.60 1.03 -0.50 0.00 0.00 175.29 176.15 2wvc s ARG 77 N 4.72 4.13 0.00 1.67 0.52 -1.26 -2.30 118.95 126.44 2wvc s ARG 77 Ca 0.41 2.56 0.00 0.00 -0.52 0.00 0.00 55.73 58.19 2wvc s ARG 77 Cb -0.08 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.35 2wvc s ARG 77 CO 0.25 -0.63 0.00 0.39 0.02 0.00 0.00 175.30 175.33 2wvc n GLU 78 N 2.35 0.00 -0.11 3.54 -0.58 -1.26 -4.89 120.64 119.70 2wvc n GLU 78 Ca 0.09 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.75 2wvc n GLU 78 Cb 0.37 -2.65 0.01 0.00 -0.57 0.00 0.00 31.44 28.60 2wvc n GLU 78 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2wvc h LEU 79 N 0.00 0.28 -0.87 -4.62 5.85 -1.83 -0.47 115.31 113.65 2wvc h LEU 79 Ca 0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2wvc h LEU 79 Cb 0.00 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2wvc h LEU 79 CO 0.00 0.21 0.19 -1.13 -0.34 0.00 0.00 178.44 177.37 2wvc h ASN 80 N 0.38 0.96 -0.65 1.25 -1.24 -1.90 -1.60 115.58 112.78 2wvc h ASN 80 Ca 0.15 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 56.99 2wvc h ASN 80 Cb 0.04 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.81 2wvc h ASN 80 CO -0.09 0.91 0.42 -0.61 -1.29 0.00 0.00 177.43 176.77 2wvc h GLN 81 N 0.98 0.82 -0.40 6.67 5.75 -1.83 -0.16 115.11 126.94 2wvc h GLN 81 Ca 0.21 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 2wvc h GLN 81 Cb 0.31 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2wvc h GLN 81 CO -0.00 0.54 -0.12 0.00 -2.65 0.00 0.00 178.83 176.60 2wvc h ARG 82 N 0.85 0.72 -0.44 1.69 3.08 -0.67 0.11 114.38 119.72 2wvc h ARG 82 Ca 0.25 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2wvc h ARG 82 Cb -0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2wvc h ARG 82 CO -0.07 0.82 -0.21 0.52 -1.07 0.00 0.00 179.97 179.96 2wvc h MET 83 N 0.65 0.87 -0.46 0.04 2.86 -0.96 -1.50 114.93 116.44 2wvc h MET 83 Ca 0.11 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2wvc h MET 83 Cb 0.58 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2wvc h MET 83 CO 0.04 1.00 0.18 0.82 1.06 0.00 0.00 176.91 180.01 2wvc h ILE 84 N 0.76 1.21 -0.64 -1.22 2.04 -0.64 -0.65 117.51 118.37 2wvc h ILE 84 Ca 0.11 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.40 2wvc h ILE 84 Cb 0.74 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2wvc h ILE 84 CO 0.06 0.24 0.34 0.44 0.00 0.00 0.00 178.15 179.22 2wvc h ASP 85 N 0.60 0.48 -0.53 1.72 3.32 -0.57 0.72 116.42 122.16 2wvc h ASP 85 Ca 0.15 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2wvc h ASP 85 Cb 0.19 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2wvc h ASP 85 CO -0.01 0.31 -0.11 0.40 -1.72 0.00 0.00 179.24 178.11 2wvc h ILE 86 N 0.62 1.27 -0.28 0.35 2.04 -1.02 -2.67 117.51 117.82 2wvc h ILE 86 Ca 0.30 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 2wvc h ILE 86 Cb 0.22 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2wvc h ILE 86 CO -0.20 0.44 0.12 1.56 0.00 0.00 0.00 178.15 180.07 2wvc h GLN 87 N 0.89 0.42 -0.99 2.37 4.20 -0.70 -1.62 115.11 119.68 2wvc h GLN 87 Ca 0.14 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.86 2wvc h GLN 87 Cb 0.68 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 2wvc h GLN 87 CO 0.05 0.43 0.63 0.45 -0.67 0.00 0.00 178.83 179.72 2wvc h HIS 88 N 0.31 1.17 -0.01 2.96 3.86 -0.75 -2.24 115.15 120.45 2wvc h HIS 88 Ca 0.09 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2wvc h HIS 88 Cb 0.16 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.25 2wvc h HIS 88 CO -0.01 0.56 -0.36 0.00 0.86 0.00 0.00 177.93 178.99 2wvc n ALA 89 N -2.36 3.28 0.24 2.45 0.00 -1.02 -4.28 120.51 118.82 2wvc n ALA 89 Ca 0.16 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.29 2wvc n ALA 89 Cb 0.23 -1.09 0.55 0.00 0.00 0.00 0.00 19.45 19.14 2wvc n ALA 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wvc h SER 90 N 1.01 0.00 0.00 0.00 4.64 -0.65 -3.46 113.55 115.09 2wvc h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wvc h SER 90 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2wvc h SER 90 CO 0.00 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 2wvc n GLY 91 N -0.13 2.23 3.84 -0.77 0.00 -1.26 -4.71 105.19 104.38 2wvc n GLY 91 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wvc n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvc s THR 92 N -2.85 4.33 -0.45 2.61 -4.23 -1.26 -4.93 115.64 108.86 2wvc s THR 92 Ca 0.00 0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 61.35 2wvc s THR 92 Cb 0.00 -3.63 0.09 0.00 1.34 0.00 0.00 72.50 70.31 2wvc s THR 92 CO 0.00 -0.81 0.31 -2.28 -0.54 0.00 0.00 174.62 171.30 2wvc s HIS 93 N -2.82 3.35 -0.21 3.99 5.65 0.60 -4.96 115.29 120.90 2wvc s HIS 93 Ca 0.59 -1.58 -0.29 0.00 0.25 0.00 0.00 55.06 54.03 2wvc s HIS 93 Cb -0.12 -3.18 -0.01 0.00 -1.18 0.00 0.00 32.58 28.08 2wvc s HIS 93 CO 0.43 -0.90 1.26 0.08 -0.65 0.00 0.00 174.74 174.97 2wvc s VAL 94 N 1.43 4.26 0.06 0.89 1.01 -1.26 -1.30 120.40 125.49 2wvc s VAL 94 Ca 0.04 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 2wvc s VAL 94 Cb -0.24 -4.06 -0.26 0.00 0.00 0.00 0.00 36.38 31.81 2wvc s VAL 94 CO 0.02 -0.24 1.06 -0.07 0.00 0.00 0.00 175.10 175.87 2wvc h LEU 95 N 10.06 0.30 -7.00 3.92 3.38 -0.93 -3.49 115.31 121.55 2wvc h LEU 95 Ca -0.26 -0.35 0.31 0.00 0.09 0.00 0.00 57.88 57.67 2wvc h LEU 95 Cb 1.10 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 2wvc h LEU 95 CO 0.99 1.28 0.97 0.00 0.09 0.00 0.00 178.44 181.77 2wvc s THR 97 N -1.84 1.18 -0.06 0.00 -4.23 -1.26 -1.45 115.64 107.98 2wvc s THR 97 Ca 0.11 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2wvc s THR 97 Cb -0.01 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.78 2wvc s THR 97 CO -0.04 0.01 -0.07 -0.89 -0.54 0.00 0.00 174.62 173.10 2wvc s THR 98 N -0.87 0.77 0.00 3.99 2.01 -0.48 -4.99 115.64 116.08 2wvc s THR 98 Ca 0.02 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.83 2wvc s THR 98 Cb -0.08 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2wvc s THR 98 CO 0.01 0.28 -0.14 -1.00 -0.69 0.00 0.00 174.62 173.08 2wvc s HIS 99 N 0.95 2.67 0.04 4.92 3.76 -1.26 -1.18 115.29 125.19 2wvc s HIS 99 Ca -0.10 -0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 54.61 2wvc s HIS 99 Cb -0.15 -1.55 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 2wvc s HIS 99 CO 0.00 0.25 0.00 0.96 -0.85 0.00 0.00 174.74 175.10 2wvc s ILE 100 N -0.87 0.16 -0.23 0.60 -4.36 -0.63 -5.00 121.20 110.87 2wvc s ILE 100 Ca 0.14 -1.33 -0.17 0.00 -0.26 0.00 0.00 60.65 59.03 2wvc s ILE 100 Cb -0.11 -0.94 -0.03 0.00 1.25 0.00 0.00 42.46 42.63 2wvc s ILE 100 CO 0.04 -0.73 0.48 -1.00 0.24 0.00 0.00 174.94 173.97 2wvc s HIS 101 N -2.77 3.32 -0.15 1.37 3.76 -1.26 -0.94 115.29 118.61 2wvc s HIS 101 Ca -0.04 0.66 0.21 0.00 -0.15 0.00 0.00 55.06 55.74 2wvc s HIS 101 Cb -0.00 -2.65 -0.32 0.00 1.11 0.00 0.00 32.58 30.72 2wvc s HIS 101 CO -0.06 -0.16 0.52 0.00 -0.85 0.00 0.00 174.74 174.20 2wvc n MET 102 N 5.05 0.58 -2.25 1.40 0.00 -0.82 -4.94 117.12 116.13 2wvc n MET 102 Ca -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 57.70 57.44 2wvc n MET 102 Cb 0.50 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.23 2wvc n MET 102 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2wvc n ASP 103 N -2.15 -0.95 0.31 3.17 3.85 -1.20 -4.99 116.55 114.60 2wvc n ASP 103 Ca -0.03 -1.63 0.20 0.00 -0.71 0.00 0.00 54.79 52.62 2wvc n ASP 103 Cb 0.53 1.57 1.03 0.00 -1.35 0.00 0.00 41.12 42.90 2wvc n ASP 103 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2wvc h GLU 104 N 0.00 0.00 0.00 0.11 3.07 -2.04 -3.27 114.58 112.45 2wvc h GLU 104 Ca -0.14 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.49 2wvc h GLU 104 Cb 0.53 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 2wvc h GLU 104 CO 0.18 0.01 -1.73 0.72 -1.40 0.00 0.00 179.01 176.80 2wvc n HIS 105 N -3.21 0.00 -2.93 4.33 8.25 -1.26 -4.97 115.22 115.42 2wvc n HIS 105 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 2wvc n HIS 105 Cb 0.14 -0.50 -0.06 0.00 1.12 0.00 0.00 29.99 30.69 2wvc n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wvc s ASN 106 N -6.26 7.30 0.04 0.41 0.01 -1.24 -1.37 114.94 113.84 2wvc s ASN 106 Ca -0.20 1.67 0.07 0.00 -0.71 0.00 0.00 52.86 53.69 2wvc s ASN 106 Cb 0.07 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 2wvc s ASN 106 CO 0.25 0.07 -0.19 0.00 -1.51 0.00 0.00 177.10 175.72 2wvc s LEU 108 N -1.38 2.69 -0.06 0.00 0.20 -0.12 -1.46 118.68 118.55 2wvc s LEU 108 Ca 0.14 -0.40 0.06 0.00 0.69 0.00 0.00 54.13 54.62 2wvc s LEU 108 Cb -0.10 -1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 2wvc s LEU 108 CO 0.05 0.08 -0.23 -0.70 -0.29 0.00 0.00 176.35 175.25 2wvc s GLU 109 N 0.88 2.43 -0.19 1.98 2.12 0.90 -1.60 118.70 125.21 2wvc s GLU 109 Ca -0.03 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.41 2wvc s GLU 109 Cb -0.15 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 2wvc s GLU 109 CO -0.00 0.33 0.00 0.95 -0.54 0.00 0.00 175.26 176.00 2wvc s THR 110 N -0.07 4.02 -0.29 -1.70 -4.23 -0.32 -0.58 115.64 112.47 2wvc s THR 110 Ca -0.05 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2wvc s THR 110 Cb -0.14 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.92 2wvc s THR 110 CO 0.04 0.44 0.03 -0.63 -0.54 0.00 0.00 174.62 173.96 2wvc s ILE 111 N 0.88 3.47 -0.20 2.99 1.01 0.03 -1.38 121.20 128.00 2wvc s ILE 111 Ca 0.01 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 2wvc s ILE 111 Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2wvc s ILE 111 CO 0.02 0.03 0.31 -0.63 0.00 0.00 0.00 174.94 174.67 2wvc s ILE 112 N 1.39 5.27 0.24 2.92 1.01 -0.53 -0.79 121.20 130.71 2wvc s ILE 112 Ca -0.00 0.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.06 2wvc s ILE 112 Cb -0.18 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2wvc s ILE 112 CO 0.00 0.31 0.46 -1.48 0.00 0.00 0.00 174.94 174.23 2wvc s LEU 113 N 1.00 0.36 0.02 2.97 0.05 -0.31 -0.20 118.68 122.57 2wvc s LEU 113 Ca 0.16 -0.95 0.01 0.00 0.05 0.00 0.00 54.13 53.40 2wvc s LEU 113 Cb -0.14 1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 45.68 2wvc s LEU 113 CO 0.06 -1.12 -0.04 0.00 -0.55 0.00 0.00 176.35 174.70 2wvc s GLN 114 N -4.02 0.33 0.00 1.48 -2.07 -0.42 -0.14 119.66 114.82 2wvc s GLN 114 Ca 0.23 -0.55 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 2wvc s GLN 114 Cb -0.00 -0.01 0.00 0.00 -1.09 0.00 0.00 33.01 31.90 2wvc s GLN 114 CO 0.09 -0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.45 2wvc n GLY 115 N 1.80 -0.82 3.93 2.60 0.00 -0.51 -0.29 105.19 111.91 2wvc n GLY 115 Ca -0.22 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 2wvc n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvc s ASN 116 N 0.00 3.91 0.19 1.61 2.20 -1.26 -1.18 114.94 120.42 2wvc s ASN 116 Ca 0.00 0.30 -0.12 0.00 -0.94 0.00 0.00 52.86 52.10 2wvc s ASN 116 Cb 0.00 -0.61 0.18 0.00 -2.00 0.00 0.00 41.25 38.83 2wvc s ASN 116 CO 0.00 -2.21 1.75 0.28 -2.94 0.00 0.00 177.10 173.98 2wvc h SER 117 N -1.15 0.21 -0.56 3.54 0.02 -1.63 -2.21 113.55 111.78 2wvc h SER 117 Ca -0.43 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 2wvc h SER 117 Cb 1.27 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 2wvc h SER 117 CO 0.48 0.15 0.20 -0.26 -1.14 0.00 0.00 176.83 176.26 2wvc h PHE 118 N 0.38 0.87 -0.33 3.45 -1.00 -1.94 -1.77 116.94 116.60 2wvc h PHE 118 Ca 0.25 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.86 2wvc h PHE 118 Cb 0.26 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 2wvc h PHE 118 CO -0.16 0.72 -0.14 0.93 -1.61 0.00 0.00 178.31 178.06 2wvc h GLU 119 N 0.77 0.67 -0.17 1.51 5.08 -1.78 -2.13 114.58 118.53 2wvc h GLU 119 Ca 0.18 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2wvc h GLU 119 Cb 0.24 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2wvc h GLU 119 CO -0.01 0.87 -0.13 0.82 -1.00 0.00 0.00 179.01 179.56 2wvc h ILE 120 N 0.45 1.33 -0.88 3.13 2.04 -1.34 -1.63 117.51 120.59 2wvc h ILE 120 Ca 0.08 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 2wvc h ILE 120 Cb 0.66 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 2wvc h ILE 120 CO 0.04 0.37 0.49 -0.61 0.00 0.00 0.00 178.15 178.45 2wvc h GLN 121 N 0.05 1.23 -0.71 2.37 5.75 -1.37 -1.53 115.11 120.90 2wvc h GLN 121 Ca 0.03 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 2wvc h GLN 121 Cb 0.64 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 2wvc h GLN 121 CO 0.03 0.89 0.23 -0.09 -2.65 0.00 0.00 178.83 177.24 2wvc h ARG 122 N 1.23 1.09 -0.26 1.69 2.43 -1.31 -2.02 114.38 117.24 2wvc h ARG 122 Ca 0.31 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2wvc h ARG 122 Cb 0.01 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2wvc h ARG 122 CO -0.05 0.93 0.11 1.25 -1.51 0.00 0.00 179.97 180.70 2wvc h LEU 123 N 1.04 0.36 -0.63 3.80 5.85 -0.79 -2.01 115.31 122.92 2wvc h LEU 123 Ca 0.23 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2wvc h LEU 123 Cb 0.29 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2wvc h LEU 123 CO -0.01 0.42 0.34 -0.61 -0.34 0.00 0.00 178.44 178.24 2wvc h GLN 124 N 0.27 0.89 -0.32 1.25 4.15 -1.12 -1.94 115.11 118.29 2wvc h GLN 124 Ca 0.09 -0.11 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 2wvc h GLN 124 Cb 0.17 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 2wvc h GLN 124 CO -0.01 0.68 -0.49 -0.07 -1.93 0.00 0.00 178.83 177.01 2wvc h LEU 125 N 0.86 0.98 -0.32 -2.39 3.38 -1.32 -0.53 115.31 115.97 2wvc h LEU 125 Ca 0.22 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 2wvc h LEU 125 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2wvc h LEU 125 CO -0.03 1.30 -0.25 -0.33 0.09 0.00 0.00 178.44 179.21 2wvc h GLU 126 N 0.70 0.74 -0.40 1.13 5.08 -1.29 -2.40 114.58 118.13 2wvc h GLU 126 Ca 0.03 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 2wvc h GLU 126 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2wvc h GLU 126 CO 0.11 0.98 -0.35 0.82 -1.00 0.00 0.00 179.01 179.57 2wvc h ILE 127 N 0.50 1.27 0.00 3.13 2.04 -1.38 -3.04 117.51 120.04 2wvc h ILE 127 Ca 0.06 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 2wvc h ILE 127 Cb 0.82 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2wvc h ILE 127 CO 0.07 0.51 -0.06 1.23 0.00 0.00 0.00 178.15 179.90 2wvc h GLY 128 N 0.78 0.00 -0.97 5.37 0.00 -1.05 -2.28 103.07 104.93 2wvc h GLY 128 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2wvc h GLY 128 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 2wvc n GLY 129 N -0.74 0.42 3.74 4.60 0.00 -0.91 -4.83 105.19 107.48 2wvc n GLY 129 Ca -0.02 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2wvc n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wvc s LEU 130 N -1.70 4.54 0.16 0.99 1.43 -0.86 -5.00 118.68 118.25 2wvc s LEU 130 Ca 0.34 1.99 -0.31 0.00 -1.03 0.00 0.00 54.13 55.12 2wvc s LEU 130 Cb 0.19 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.70 2wvc s LEU 130 CO 0.29 -0.07 1.75 -0.60 0.23 0.00 0.00 176.35 177.95 2wvc s ARG 131 N -0.61 4.14 0.00 1.70 3.52 -1.26 -1.77 118.95 124.68 2wvc s ARG 131 Ca 0.46 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.62 2wvc s ARG 131 Cb -0.27 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 2wvc s ARG 131 CO 0.33 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 2wvc n GLY 132 N 4.06 3.18 3.64 8.12 0.00 -1.26 -4.97 105.19 117.95 2wvc n GLY 132 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2wvc n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvc s VAL 133 N -2.79 4.68 -0.00 1.61 1.01 -0.73 -0.49 120.40 123.69 2wvc s VAL 133 Ca 0.00 1.59 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 2wvc s VAL 133 Cb 0.00 -4.27 -0.18 0.00 0.00 0.00 0.00 36.38 31.93 2wvc s VAL 133 CO 0.00 -0.29 1.24 0.11 0.00 0.00 0.00 175.10 176.16 2wvc h LYS 134 N 7.91 0.20 -2.78 2.72 1.79 -0.44 -3.46 116.57 122.50 2wvc h LYS 134 Ca -0.22 -0.13 0.06 0.00 -2.18 0.00 0.00 60.65 58.18 2wvc h LYS 134 Cb 1.08 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.64 2wvc h LYS 134 CO 0.95 0.71 0.30 -0.59 -1.08 0.00 0.00 179.45 179.74 2wvc s PHE 135 N -4.00 -0.35 -0.30 -1.35 -0.12 -1.07 -5.00 117.98 105.79 2wvc s PHE 135 Ca -0.15 0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 56.77 2wvc s PHE 135 Cb 0.03 0.61 0.10 0.00 -0.63 0.00 0.00 43.02 43.13 2wvc s PHE 135 CO 0.73 -0.90 0.13 0.00 -0.05 0.00 0.00 175.22 175.12 2wvc s ALA 136 N -3.62 0.95 -0.18 1.99 0.00 -1.26 -2.18 121.76 117.46 2wvc s ALA 136 Ca 0.06 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.58 2wvc s ALA 136 Cb -0.02 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 2wvc s ALA 136 CO -0.05 -1.70 0.08 0.15 0.00 0.00 0.00 175.76 174.24 2wvc s LYS 137 N 1.83 4.00 -0.16 0.00 1.02 0.10 -4.87 119.74 121.66 2wvc s LYS 137 Ca 0.10 -0.31 -0.07 0.00 0.02 0.00 0.00 55.97 55.71 2wvc s LYS 137 Cb -0.17 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.85 2wvc s LYS 137 CO -0.30 0.29 0.08 -1.17 -0.92 0.00 0.00 175.35 173.34 2wvc s LEU 138 N 0.32 3.97 -0.16 3.17 2.96 -1.26 -0.66 118.68 127.02 2wvc s LEU 138 Ca 0.04 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2wvc s LEU 138 Cb -0.12 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.60 2wvc s LEU 138 CO -0.00 0.24 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.21 2wvc s THR 139 N -0.04 1.80 0.17 3.68 2.01 0.45 -5.00 115.64 118.70 2wvc s THR 139 Ca 0.07 -0.77 0.10 0.00 0.31 0.00 0.00 61.69 61.40 2wvc s THR 139 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2wvc s THR 139 CO 0.01 0.50 -0.20 -1.59 -0.69 0.00 0.00 174.62 172.64 2wvc s LYS 140 N 1.39 1.35 0.00 4.92 -2.85 -1.26 0.51 119.74 123.80 2wvc s LYS 140 Ca 0.05 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.58 2wvc s LYS 140 Cb -0.13 -1.52 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 2wvc s LYS 140 CO -0.12 0.32 0.00 0.00 0.10 0.00 0.00 175.35 175.65 2wvc n ALA 141 N 0.33 0.96 0.00 0.59 0.00 -0.71 -5.02 120.51 116.67 2wvc n ALA 141 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2wvc n ALA 141 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2wvc n ALA 141 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93