#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvd n SER 9 N 0.00 0.00 -3.75 -2.24 2.88 -1.26 -5.07 113.62 104.18 2wvd n SER 9 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2wvd n SER 9 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2wvd n SER 9 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2wvd s ILE 10 N -0.71 -0.07 0.12 2.46 -4.36 -1.26 -5.15 121.20 112.23 2wvd s ILE 10 Ca 0.00 0.25 0.10 0.00 -0.26 0.00 0.00 60.65 60.73 2wvd s ILE 10 Cb 0.00 -0.12 -0.04 0.00 1.25 0.00 0.00 42.46 43.55 2wvd s ILE 10 CO 0.00 0.10 -0.24 -0.63 0.24 0.00 0.00 174.94 174.41 2wvd s ILE 11 N 1.27 2.03 -0.03 8.37 1.09 -1.26 -5.14 121.20 127.52 2wvd s ILE 11 Ca -0.07 -1.69 0.06 0.00 -1.10 0.00 0.00 60.65 57.86 2wvd s ILE 11 Cb -0.13 -1.82 -0.01 0.00 -1.06 0.00 0.00 42.46 39.44 2wvd s ILE 11 CO -0.03 0.01 -0.22 0.00 -0.10 0.00 0.00 174.94 174.59 2wvd s ARG 12 N -2.04 1.97 0.25 2.79 1.70 -1.26 -5.13 118.95 117.22 2wvd s ARG 12 Ca 0.11 -0.79 0.05 0.00 -0.47 0.00 0.00 55.73 54.63 2wvd s ARG 12 Cb -0.10 -1.81 -0.05 0.00 -0.57 0.00 0.00 34.95 32.42 2wvd s ARG 12 CO 0.05 0.42 -0.03 -0.59 -1.08 0.00 0.00 175.30 174.07 2wvd s PHE 13 N -0.35 1.73 0.03 5.89 -0.12 -1.26 -5.15 117.98 118.76 2wvd s PHE 13 Ca 0.04 -0.82 -0.10 0.00 -0.05 0.00 0.00 56.93 56.00 2wvd s PHE 13 Cb -0.10 -1.00 -0.05 0.00 -0.63 0.00 0.00 43.02 41.24 2wvd s PHE 13 CO 0.01 0.11 0.35 0.45 -0.05 0.00 0.00 175.22 176.09 2wvd s SER 14 N -3.37 6.63 -0.11 1.98 0.15 -1.26 -5.09 113.70 112.64 2wvd s SER 14 Ca 0.29 0.76 0.04 0.00 0.70 0.00 0.00 55.95 57.73 2wvd s SER 14 Cb 0.05 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2wvd s SER 14 CO 0.10 0.25 -0.23 -0.69 1.20 0.00 0.00 173.24 173.86 2wvd s VAL 15 N -1.27 2.12 -0.23 4.45 1.01 -1.26 -5.12 120.40 120.11 2wvd s VAL 15 Ca 0.28 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 2wvd s VAL 15 Cb -0.14 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2wvd s VAL 15 CO 0.15 0.56 0.16 -0.44 0.00 0.00 0.00 175.10 175.53 2wvd s SER 16 N 0.41 6.16 0.18 3.32 0.01 -1.26 -5.09 113.70 117.44 2wvd s SER 16 Ca -0.17 0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.31 2wvd s SER 16 Cb -0.17 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2wvd s SER 16 CO 0.07 0.09 -0.10 -0.76 0.41 0.00 0.00 173.24 172.95 2wvd s LEU 17 N 0.86 2.50 0.58 2.44 1.43 -1.26 -5.15 118.68 120.08 2wvd s LEU 17 Ca 0.08 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 2wvd s LEU 17 Cb -0.13 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.66 2wvd s LEU 17 CO 0.03 -0.30 0.83 0.00 0.23 0.00 0.00 176.35 177.14 2wvd s GLN 18 N -3.73 2.49 0.11 1.70 1.03 -1.26 -4.99 119.66 115.02 2wvd s GLN 18 Ca 0.21 -0.61 -0.20 0.00 0.04 0.00 0.00 55.36 54.80 2wvd s GLN 18 Cb 0.02 -2.40 -0.08 0.00 0.03 0.00 0.00 33.01 30.57 2wvd s GLN 18 CO 0.04 -0.82 1.70 0.37 -2.54 0.00 0.00 175.29 174.05 2wvd h GLN 19 N -0.09 0.27 -0.39 9.60 5.75 -2.01 -2.77 115.11 125.47 2wvd h GLN 19 Ca -0.43 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 57.95 2wvd h GLN 19 Cb 1.30 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 2wvd h GLN 19 CO 0.55 0.26 -0.12 -2.95 -2.65 0.00 0.00 178.83 173.92 2wvd h ASN 20 N 0.21 0.69 -0.79 -0.69 -1.07 -1.98 0.35 115.58 112.31 2wvd h ASN 20 Ca 0.07 -0.20 -0.01 0.00 0.07 0.00 0.00 56.30 56.23 2wvd h ASN 20 Cb 0.07 -0.19 -0.04 0.00 -2.07 0.00 0.00 38.32 36.10 2wvd h ASN 20 CO -0.01 0.84 0.47 0.25 0.07 0.00 0.00 177.43 179.05 2wvd h LEU 21 N 0.64 0.95 -0.53 6.14 5.85 -1.96 0.23 115.31 126.62 2wvd h LEU 21 Ca 0.11 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2wvd h LEU 21 Cb 0.58 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2wvd h LEU 21 CO 0.04 0.74 0.16 0.25 -0.34 0.00 0.00 178.44 179.28 2wvd h LEU 22 N 1.08 0.79 -0.15 2.25 5.85 -1.05 -1.42 115.31 122.64 2wvd h LEU 22 Ca 0.28 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2wvd h LEU 22 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2wvd h LEU 22 CO -0.05 0.79 0.04 0.44 -0.34 0.00 0.00 178.44 179.32 2wvd h ASP 23 N 0.74 0.04 -0.75 1.25 5.19 0.04 0.15 116.42 123.08 2wvd h ASP 23 Ca 0.17 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 2wvd h ASP 23 Cb 0.29 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 2wvd h ASP 23 CO -0.00 0.05 0.46 -0.33 -3.12 0.00 0.00 179.24 176.30 2wvd h GLU 24 N 0.12 0.85 -0.40 3.56 4.39 -0.86 -0.29 114.58 121.96 2wvd h GLU 24 Ca 0.07 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2wvd h GLU 24 Cb 0.05 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2wvd h GLU 24 CO -0.08 0.57 -0.02 1.25 -1.16 0.00 0.00 179.01 179.57 2wvd h LEU 25 N 0.88 0.70 -0.70 1.33 5.85 -0.88 -2.04 115.31 120.45 2wvd h LEU 25 Ca 0.31 -0.32 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2wvd h LEU 25 Cb 0.07 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2wvd h LEU 25 CO -0.13 0.85 -0.61 0.44 -0.34 0.00 0.00 178.44 178.64 2wvd h ASP 26 N 0.53 0.15 -0.44 1.25 3.32 -0.75 -1.64 116.42 118.84 2wvd h ASP 26 Ca 0.11 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2wvd h ASP 26 Cb 0.50 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2wvd h ASP 26 CO 0.02 0.72 -0.04 -1.13 -1.72 0.00 0.00 179.24 177.10 2wvd h ASN 27 N 0.10 0.80 -0.34 6.45 -1.24 -0.98 -2.27 115.58 118.09 2wvd h ASN 27 Ca -0.01 -0.33 -0.12 0.00 0.71 0.00 0.00 56.30 56.55 2wvd h ASN 27 Cb 1.10 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 2wvd h ASN 27 CO 0.09 0.94 -0.23 -0.09 -1.29 0.00 0.00 177.43 176.84 2wvd h ARG 28 N 0.64 0.84 -0.43 6.67 9.65 -1.26 -1.98 114.38 128.51 2wvd h ARG 28 Ca 0.12 -0.35 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 2wvd h ARG 28 Cb 0.55 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 2wvd h ARG 28 CO 0.03 0.99 0.26 0.82 2.80 0.00 0.00 179.97 184.87 2wvd h ILE 29 N 0.72 1.07 -0.35 1.20 2.04 -1.22 -1.69 117.51 119.27 2wvd h ILE 29 Ca 0.10 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 2wvd h ILE 29 Cb 0.77 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2wvd h ILE 29 CO 0.06 0.10 -0.13 0.40 0.00 0.00 0.00 178.15 178.58 2wvd h ILE 30 N 0.53 1.28 -0.40 -0.67 2.04 -1.29 -1.22 117.51 117.78 2wvd h ILE 30 Ca 0.16 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 2wvd h ILE 30 Cb -0.02 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2wvd h ILE 30 CO -0.06 0.40 0.03 0.11 0.00 0.00 0.00 178.15 178.63 2wvd h LYS 31 N 0.50 0.68 -0.25 2.37 1.57 -1.30 -3.21 116.57 116.93 2wvd h LYS 31 Ca 0.08 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2wvd h LYS 31 Cb 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2wvd h LYS 31 CO 0.04 0.76 0.00 0.09 -0.57 0.00 0.00 179.45 179.77 2wvd n ASN 32 N -4.48 1.92 -0.88 0.86 4.13 -0.64 -4.91 115.26 111.26 2wvd n ASN 32 Ca -0.01 -1.82 -0.11 0.00 1.68 0.00 0.00 54.58 54.32 2wvd n ASN 32 Cb 0.27 -0.16 -0.05 0.00 -1.54 0.00 0.00 39.78 38.29 2wvd n ASN 32 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wvd n GLY 33 N 1.15 1.18 3.75 7.41 0.00 -0.99 -4.99 105.19 112.70 2wvd n GLY 33 Ca 0.15 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2wvd n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvd s TYR 34 N -2.42 2.34 -0.01 1.61 1.51 -0.50 -4.96 117.35 114.92 2wvd s TYR 34 Ca 0.00 1.53 0.10 0.00 -1.01 0.00 0.00 57.07 57.69 2wvd s TYR 34 Cb 0.00 -3.46 -0.23 0.00 -0.11 0.00 0.00 41.96 38.16 2wvd s TYR 34 CO 0.00 -2.26 0.78 0.66 -1.11 0.00 0.00 175.55 173.62 2wvd h SER 35 N 0.57 0.05 -5.07 2.29 4.64 -1.94 -3.44 113.55 110.65 2wvd h SER 35 Ca -0.50 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 60.77 2wvd h SER 35 Cb 1.29 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.30 2wvd h SER 35 CO 0.54 1.07 0.12 -0.94 -0.87 0.00 0.00 176.83 176.75 2wvd s SER 36 N -6.32 -0.23 0.22 4.97 1.04 -1.26 -5.03 113.70 107.10 2wvd s SER 36 Ca -0.05 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.68 2wvd s SER 36 Cb 0.08 0.68 0.20 0.00 0.10 0.00 0.00 66.02 67.08 2wvd s SER 36 CO 0.82 -1.26 1.64 0.03 0.98 0.00 0.00 173.24 175.45 2wvd h ARG 37 N 2.08 0.76 -0.62 4.02 3.08 -1.97 -3.03 114.38 118.71 2wvd h ARG 37 Ca -0.22 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.54 2wvd h ARG 37 Cb 1.25 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2wvd h ARG 37 CO 0.28 0.91 0.41 1.03 -1.07 0.00 0.00 179.97 181.53 2wvd h SER 38 N 0.67 0.70 -0.15 7.04 0.87 -1.99 -1.90 113.55 118.79 2wvd h SER 38 Ca 0.10 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2wvd h SER 38 Cb 0.71 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2wvd h SER 38 CO 0.05 0.50 0.01 -0.08 -0.53 0.00 0.00 176.83 176.79 2wvd h GLU 39 N 0.83 0.25 -0.29 2.24 4.81 -1.95 -1.68 114.58 118.79 2wvd h GLU 39 Ca 0.23 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2wvd h GLU 39 Cb -0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2wvd h GLU 39 CO -0.06 0.46 0.07 1.25 -0.73 0.00 0.00 179.01 180.01 2wvd h LEU 40 N 0.01 0.43 -0.51 1.64 5.85 -1.40 -1.25 115.31 120.08 2wvd h LEU 40 Ca 0.04 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 2wvd h LEU 40 Cb 0.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2wvd h LEU 40 CO 0.01 0.54 0.30 0.58 -0.34 0.00 0.00 178.44 179.53 2wvd h VAL 41 N 0.30 1.16 -0.64 1.05 2.07 -1.39 0.53 116.25 119.31 2wvd h VAL 41 Ca 0.09 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.33 2wvd h VAL 41 Cb 0.28 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2wvd h VAL 41 CO -0.00 0.16 0.30 -0.09 0.02 0.00 0.00 177.57 177.96 2wvd h ARG 42 N 0.68 0.51 -0.04 1.57 2.43 -1.12 0.23 114.38 118.64 2wvd h ARG 42 Ca 0.18 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2wvd h ARG 42 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2wvd h ARG 42 CO -0.03 0.34 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.79 2wvd h ASP 43 N 0.53 0.13 -0.06 -3.80 3.32 -0.74 -1.58 116.42 114.23 2wvd h ASP 43 Ca 0.31 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 57.09 2wvd h ASP 43 Cb 0.32 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2wvd h ASP 43 CO -0.26 0.64 -0.72 0.24 -1.72 0.00 0.00 179.24 177.43 2wvd h MET 44 N 0.09 0.69 0.25 3.56 2.86 0.13 -2.55 114.93 119.96 2wvd h MET 44 Ca -0.00 -0.54 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 2wvd h MET 44 Cb 0.98 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2wvd h MET 44 CO 0.08 1.15 -0.12 0.82 1.06 0.00 0.00 176.91 179.90 2wvd h ILE 45 N 0.49 0.81 -0.20 -1.22 2.04 -0.47 -1.83 117.51 117.14 2wvd h ILE 45 Ca -0.03 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.43 2wvd h ILE 45 Cb 1.32 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2wvd h ILE 45 CO 0.14 0.10 0.16 -0.09 0.00 0.00 0.00 178.15 178.46 2wvd h ARG 46 N -0.57 0.00 0.11 2.37 2.43 -1.34 -0.87 114.38 116.52 2wvd h ARG 46 Ca -0.03 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2wvd h ARG 46 Cb 0.42 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2wvd h ARG 46 CO 0.06 0.00 -0.89 1.49 -1.51 0.00 0.00 179.97 179.11 2wvd h GLU 47 N 0.00 0.24 -0.05 0.20 4.81 -1.36 -3.10 114.58 115.31 2wvd h GLU 47 Ca 0.09 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 2wvd h GLU 47 Cb 0.40 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2wvd h GLU 47 CO -0.00 1.19 -0.31 0.87 -0.73 0.00 0.00 179.01 180.03 2wvd h LYS 48 N -0.46 0.10 -0.43 1.92 1.79 -1.04 -1.70 116.57 116.75 2wvd h LYS 48 Ca -0.18 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.18 2wvd h LYS 48 Cb 1.58 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 2wvd h LYS 48 CO 0.09 0.41 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.76 2wvd h LEU 49 N 0.09 0.79 -0.36 2.94 3.38 -1.27 -2.90 115.31 117.98 2wvd h LEU 49 Ca 0.01 -0.33 -0.19 0.00 0.09 0.00 0.00 57.88 57.46 2wvd h LEU 49 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wvd h LEU 49 CO 0.04 0.93 -0.65 0.58 0.09 0.00 0.00 178.44 179.43 2wvd h VAL 50 N 0.63 1.32 0.00 1.22 2.07 -1.41 -3.25 116.25 116.82 2wvd h VAL 50 Ca 0.12 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2wvd h VAL 50 Cb 0.56 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2wvd h VAL 50 CO 0.03 0.60 -0.09 -1.84 0.02 0.00 0.00 177.57 176.29 2wvd n GLU 51 N -3.93 0.01 -2.11 1.57 0.28 -0.66 -4.57 120.64 111.23 2wvd n GLU 51 Ca -0.05 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.57 2wvd n GLU 51 Cb 0.67 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 32.01 2wvd n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2wvd s ASP 52 N -3.03 5.39 -0.25 -1.84 1.11 -1.10 -4.95 116.67 112.00 2wvd s ASP 52 Ca 0.13 0.23 -0.00 0.00 0.18 0.00 0.00 52.55 53.10 2wvd s ASP 52 Cb 0.19 -2.53 0.04 0.00 1.07 0.00 0.00 42.92 41.68 2wvd s ASP 52 CO 0.56 -2.31 -0.09 0.20 1.18 0.00 0.00 175.17 174.71 2wvd s ASN 53 N 7.53 4.21 0.00 0.27 -0.87 -1.26 -5.03 114.94 119.78 2wvd s ASN 53 Ca 0.63 -1.01 0.00 0.00 -1.57 0.00 0.00 52.86 50.91 2wvd s ASN 53 Cb -0.12 -1.61 0.00 0.00 -0.02 0.00 0.00 41.25 39.50 2wvd s ASN 53 CO 0.20 -0.14 0.00 0.79 -2.57 0.00 0.00 177.10 175.38 2wvd n TRP 54 N 4.59 0.00 -1.50 2.20 5.03 -1.26 -4.67 117.44 121.83 2wvd n TRP 54 Ca -0.16 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.37 2wvd n TRP 54 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.74 2wvd n TRP 54 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 2wvd n ASN 60 N 0.00 -8.18 -3.48 -0.99 0.23 -1.26 -5.14 115.26 96.43 2wvd n ASN 60 Ca 0.00 1.25 -0.40 0.00 -0.53 0.00 0.00 54.58 54.90 2wvd n ASN 60 Cb 0.00 -4.53 -0.01 0.00 -2.08 0.00 0.00 39.78 33.16 2wvd n ASN 60 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2wvd n ASP 61 N -1.10 7.78 -4.86 0.53 8.00 -1.26 -4.78 116.55 120.86 2wvd n ASP 61 Ca 0.00 -2.97 -0.36 0.00 0.71 0.00 0.00 54.79 52.17 2wvd n ASP 61 Cb 0.06 -1.44 -0.06 0.00 -0.02 0.00 0.00 41.12 39.66 2wvd n ASP 61 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wvd s GLU 62 N 0.06 3.79 0.40 -1.24 8.01 -1.26 -4.97 118.70 123.49 2wvd s GLU 62 Ca 0.57 0.23 -0.24 0.00 0.01 0.00 0.00 54.97 55.53 2wvd s GLU 62 Cb 0.17 -3.07 -0.09 0.00 -4.31 0.00 0.00 34.13 26.83 2wvd s GLU 62 CO -0.08 0.61 1.09 -1.12 0.01 0.00 0.00 175.26 175.78 2wvd s SER 63 N -1.53 6.66 0.31 -0.19 0.01 -1.26 -4.35 113.70 113.36 2wvd s SER 63 Ca 0.29 2.15 0.03 0.00 1.31 0.00 0.00 55.95 59.73 2wvd s SER 63 Cb -0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 2wvd s SER 63 CO 0.16 -0.57 0.12 -0.54 0.41 0.00 0.00 173.24 172.83 2wvd s LYS 64 N -2.42 1.60 0.02 12.44 1.02 0.44 -2.19 119.74 130.67 2wvd s LYS 64 Ca 0.58 -1.91 0.07 0.00 0.02 0.00 0.00 55.97 54.73 2wvd s LYS 64 Cb -0.25 -0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 2wvd s LYS 64 CO 0.32 -0.38 -0.21 -1.50 -0.92 0.00 0.00 175.35 172.65 2wvd s ILE 65 N -3.55 2.53 0.27 2.17 2.07 -0.25 -1.45 121.20 123.00 2wvd s ILE 65 Ca 0.35 -1.18 -0.13 0.00 -1.41 0.00 0.00 60.65 58.28 2wvd s ILE 65 Cb 0.06 -2.01 0.00 0.00 0.13 0.00 0.00 42.46 40.64 2wvd s ILE 65 CO 0.16 0.41 0.53 0.00 -1.91 0.00 0.00 174.94 174.13 2wvd s ALA 66 N -0.82 -0.26 -0.07 1.50 0.00 -0.25 -2.83 121.76 119.04 2wvd s ALA 66 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.21 2wvd s ALA 66 Cb -0.10 1.02 0.02 0.00 0.00 0.00 0.00 23.12 24.06 2wvd s ALA 66 CO 0.03 -0.88 -0.09 0.08 0.00 0.00 0.00 175.76 174.90 2wvd s VAL 67 N -3.74 0.90 -0.22 0.00 1.01 -0.03 -1.96 120.40 116.37 2wvd s VAL 67 Ca 0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2wvd s VAL 67 Cb -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2wvd s VAL 67 CO 0.10 0.31 -0.02 -0.22 0.00 0.00 0.00 175.10 175.28 2wvd s LEU 68 N 0.94 3.02 -0.23 3.92 2.96 -0.06 0.17 118.68 129.40 2wvd s LEU 68 Ca -0.10 -0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 2wvd s LEU 68 Cb -0.15 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2wvd s LEU 68 CO 0.01 -0.01 0.10 -0.69 -1.32 0.00 0.00 176.35 174.43 2wvd s VAL 69 N 1.46 4.70 -0.02 1.68 1.01 -0.05 -0.80 120.40 128.37 2wvd s VAL 69 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2wvd s VAL 69 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2wvd s VAL 69 CO -0.01 0.36 -0.25 -0.69 0.00 0.00 0.00 175.10 174.50 2wvd s VAL 70 N 1.25 2.12 -0.09 2.92 1.01 0.62 -1.05 120.40 127.18 2wvd s VAL 70 Ca 0.05 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2wvd s VAL 70 Cb -0.14 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2wvd s VAL 70 CO 0.04 0.58 -0.15 -0.63 0.00 0.00 0.00 175.10 174.94 2wvd s ILE 71 N -0.59 1.43 0.19 2.22 1.01 -0.17 -0.12 121.20 125.17 2wvd s ILE 71 Ca 0.09 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.00 2wvd s ILE 71 Cb -0.10 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2wvd s ILE 71 CO -0.01 0.42 0.39 -0.72 0.00 0.00 0.00 174.94 175.02 2wvd s TYR 72 N 0.84 0.23 -0.36 3.97 -0.85 -0.77 -0.46 117.35 119.95 2wvd s TYR 72 Ca -0.10 -0.59 -0.26 0.00 -0.52 0.00 0.00 57.07 55.60 2wvd s TYR 72 Cb -0.15 0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.32 2wvd s TYR 72 CO 0.01 -0.82 0.93 0.34 -1.52 0.00 0.00 175.55 174.49 2wvd s ASP 73 N -2.95 6.70 0.10 -0.18 -1.08 -0.59 -0.73 116.67 117.94 2wvd s ASP 73 Ca 0.15 0.62 -0.19 0.00 -0.52 0.00 0.00 52.55 52.62 2wvd s ASP 73 Cb 0.01 -2.47 -0.06 0.00 -1.46 0.00 0.00 42.92 38.94 2wvd s ASP 73 CO 0.00 -0.84 1.64 1.12 0.52 0.00 0.00 175.17 177.61 2wvd h HIS 74 N 8.42 0.39 -0.23 -5.34 2.07 -1.88 -2.98 115.15 115.59 2wvd h HIS 74 Ca -0.23 -0.03 -0.71 0.00 -2.85 0.00 0.00 60.37 56.55 2wvd h HIS 74 Cb 1.08 -0.12 -0.05 0.00 2.57 0.00 0.00 27.41 30.89 2wvd h HIS 74 CO 0.83 0.41 3.03 -2.39 -3.07 0.00 0.00 177.93 176.74 2wvd n HIS 75 N -4.77 3.31 -5.25 6.12 -0.00 -1.26 -4.85 115.22 108.52 2wvd n HIS 75 Ca -0.03 -2.96 -0.31 0.00 -0.00 0.00 0.00 57.72 54.42 2wvd n HIS 75 Cb 0.13 -2.45 -0.16 0.00 -0.00 0.00 0.00 29.99 27.52 2wvd n HIS 75 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 2wvd s GLN 76 N 2.57 2.20 -0.18 -1.40 2.00 -1.13 -5.09 119.66 118.63 2wvd s GLN 76 Ca 0.48 -0.90 -0.29 0.00 -2.00 0.00 0.00 55.36 52.66 2wvd s GLN 76 Cb 0.14 -2.10 -0.04 0.00 0.80 0.00 0.00 33.01 31.81 2wvd s GLN 76 CO -0.07 0.55 1.78 -0.98 -0.50 0.00 0.00 175.29 176.07 2wvd s ARG 77 N -0.59 3.72 -1.48 1.67 1.70 -1.26 -3.27 118.95 119.44 2wvd s ARG 77 Ca 0.09 1.86 -0.11 0.00 -0.47 0.00 0.00 55.73 57.10 2wvd s ARG 77 Cb -0.10 -4.12 0.07 0.00 -0.57 0.00 0.00 34.95 30.23 2wvd s ARG 77 CO -0.00 -1.40 0.84 0.39 -1.08 0.00 0.00 175.30 174.05 2wvd n GLU 78 N 7.85 -5.17 0.03 3.89 1.02 -1.26 -4.89 120.64 122.11 2wvd n GLU 78 Ca 0.21 0.64 -0.20 0.00 -0.02 0.00 0.00 57.16 57.79 2wvd n GLU 78 Cb 0.45 -5.50 -0.11 0.00 -0.02 0.00 0.00 31.44 26.26 2wvd n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2wvd h LEU 79 N -1.80 0.80 -0.29 -4.62 5.85 -1.92 -2.76 115.31 110.58 2wvd h LEU 79 Ca -0.54 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.43 2wvd h LEU 79 Cb 1.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2wvd h LEU 79 CO 0.62 1.45 0.19 -1.13 -0.34 0.00 0.00 178.44 179.23 2wvd h ASN 80 N 0.24 0.32 -0.78 1.25 -1.24 -1.90 0.86 115.58 114.33 2wvd h ASN 80 Ca -0.12 -0.01 0.08 0.00 0.71 0.00 0.00 56.30 56.97 2wvd h ASN 80 Cb 1.60 -0.08 -0.07 0.00 0.73 0.00 0.00 38.32 40.51 2wvd h ASN 80 CO 0.18 0.23 0.44 -0.61 -1.29 0.00 0.00 177.43 176.39 2wvd h GLN 81 N 0.39 0.75 -0.48 6.67 5.75 -1.97 0.12 115.11 126.33 2wvd h GLN 81 Ca 0.11 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 2wvd h GLN 81 Cb -0.04 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 2wvd h GLN 81 CO -0.03 0.50 0.25 0.00 -2.65 0.00 0.00 178.83 176.90 2wvd h ARG 82 N 0.77 0.48 -0.51 1.69 2.47 -0.99 0.91 114.38 119.20 2wvd h ARG 82 Ca 0.36 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.93 2wvd h ARG 82 Cb 0.29 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 2wvd h ARG 82 CO -0.22 0.32 -0.16 0.52 0.56 0.00 0.00 179.97 180.99 2wvd h MET 83 N 0.50 1.01 -0.15 0.04 2.86 -0.14 -2.59 114.93 116.46 2wvd h MET 83 Ca 0.21 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2wvd h MET 83 Cb 0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2wvd h MET 83 CO -0.14 1.08 0.09 0.82 1.06 0.00 0.00 176.91 179.82 2wvd h ILE 84 N 0.88 1.08 -0.87 -1.22 2.04 -0.39 -2.07 117.51 116.96 2wvd h ILE 84 Ca 0.13 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.87 2wvd h ILE 84 Cb 0.73 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2wvd h ILE 84 CO 0.06 0.07 0.56 0.44 0.00 0.00 0.00 178.15 179.28 2wvd h ASP 85 N 0.16 0.79 -0.18 1.72 3.32 -0.79 -1.13 116.42 120.31 2wvd h ASP 85 Ca 0.05 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 2wvd h ASP 85 Cb 0.04 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2wvd h ASP 85 CO -0.01 0.47 -0.21 0.40 -1.72 0.00 0.00 179.24 178.17 2wvd h ILE 86 N 0.88 1.34 0.00 0.35 2.04 -1.11 -2.83 117.51 118.17 2wvd h ILE 86 Ca 0.39 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2wvd h ILE 86 Cb 0.37 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2wvd h ILE 86 CO -0.16 0.42 -0.02 0.06 0.00 0.00 0.00 178.15 178.46 2wvd h GLN 87 N 0.11 0.00 -0.11 2.37 -0.00 -1.20 -1.87 115.11 114.41 2wvd h GLN 87 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.51 2wvd h GLN 87 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.24 2wvd h GLN 87 CO 0.05 0.02 -0.63 0.45 -0.00 0.00 0.00 178.83 178.72 2wvd h HIS 88 N 0.00 0.53 -0.01 0.06 3.86 -1.19 -2.99 115.15 115.42 2wvd h HIS 88 Ca -0.00 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2wvd h HIS 88 Cb 0.89 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.27 2wvd h HIS 88 CO 0.00 0.93 -0.23 0.00 0.86 0.00 0.00 177.93 179.49 2wvd n ALA 89 N -2.50 3.01 0.08 2.45 0.00 -1.07 -4.24 120.51 118.23 2wvd n ALA 89 Ca -0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.00 2wvd n ALA 89 Cb 0.64 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 19.03 2wvd n ALA 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wvd h SER 90 N 0.93 0.28 0.00 0.00 4.64 -1.18 -3.47 113.55 114.75 2wvd h SER 90 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2wvd h SER 90 Cb 0.47 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wvd h SER 90 CO 0.00 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 2wvd n GLY 91 N 0.23 0.99 3.88 -0.77 0.00 -1.26 -4.77 105.19 103.49 2wvd n GLY 91 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2wvd n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvd s THR 92 N -2.69 4.76 -0.20 2.61 -4.23 -1.26 -4.88 115.64 109.75 2wvd s THR 92 Ca 0.00 0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 61.15 2wvd s THR 92 Cb 0.00 -3.78 -0.00 0.00 1.34 0.00 0.00 72.50 70.06 2wvd s THR 92 CO 0.00 -0.70 -0.10 -2.28 -0.54 0.00 0.00 174.62 171.01 2wvd s HIS 93 N -2.59 2.89 0.08 3.99 2.46 0.72 -4.92 115.29 117.92 2wvd s HIS 93 Ca 0.52 -1.09 -0.29 0.00 0.47 0.00 0.00 55.06 54.68 2wvd s HIS 93 Cb -0.10 -2.02 -0.05 0.00 -0.13 0.00 0.00 32.58 30.27 2wvd s HIS 93 CO 0.37 -0.57 0.92 0.08 -2.47 0.00 0.00 174.74 173.07 2wvd s VAL 94 N 1.27 4.60 -0.20 0.89 1.01 -1.26 -0.94 120.40 125.78 2wvd s VAL 94 Ca 0.03 1.97 -0.02 0.00 0.00 0.00 0.00 61.98 63.96 2wvd s VAL 94 Cb -0.14 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.84 2wvd s VAL 94 CO -0.05 0.31 -0.20 0.18 0.00 0.00 0.00 175.10 175.34 2wvd n LEU 95 N 2.94 2.57 -3.58 3.92 4.77 0.91 -4.98 117.00 123.55 2wvd n LEU 95 Ca 0.02 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 2wvd n LEU 95 Cb 0.50 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 2wvd n LEU 95 CO 0.50 0.72 0.35 -0.55 -1.33 0.00 0.00 177.39 177.08 2wvd s SER 96 N -6.19 -0.56 -0.01 -1.43 0.15 -1.10 -5.00 113.70 99.55 2wvd s SER 96 Ca -0.27 0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 2wvd s SER 96 Cb 0.08 0.55 -0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2wvd s SER 96 CO 0.43 -0.55 0.04 0.42 1.20 0.00 0.00 173.24 174.78 2wvd s THR 97 N -1.11 0.03 -0.02 6.45 -4.23 -1.26 -0.83 115.64 114.67 2wvd s THR 97 Ca -0.11 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 2wvd s THR 97 Cb -0.01 -0.14 -0.01 0.00 1.34 0.00 0.00 72.50 73.68 2wvd s THR 97 CO 0.08 -0.14 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.99 2wvd s THR 98 N -0.41 1.16 -0.25 3.99 2.01 -0.74 -4.99 115.64 116.41 2wvd s THR 98 Ca -0.05 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 2wvd s THR 98 Cb -0.03 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.53 2wvd s THR 98 CO -0.00 0.33 -0.07 -1.00 -0.69 0.00 0.00 174.62 173.20 2wvd s HIS 99 N -0.21 3.08 -0.22 4.92 3.76 -1.26 -1.98 115.29 123.39 2wvd s HIS 99 Ca 0.03 -1.64 -0.09 0.00 -0.15 0.00 0.00 55.06 53.21 2wvd s HIS 99 Cb -0.07 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 2wvd s HIS 99 CO 0.00 -0.75 0.11 0.42 -0.85 0.00 0.00 174.74 173.68 2wvd s ILE 100 N 1.30 5.04 -0.98 0.60 -1.09 0.85 -4.96 121.20 121.96 2wvd s ILE 100 Ca -0.01 0.06 -0.20 0.00 -2.23 0.00 0.00 60.65 58.28 2wvd s ILE 100 Cb -0.17 -3.32 0.11 0.00 -1.58 0.00 0.00 42.46 37.50 2wvd s ILE 100 CO -0.05 0.39 1.25 -2.28 -1.23 0.00 0.00 174.94 173.02 2wvd s HIS 101 N 0.86 2.97 0.18 3.97 5.65 -1.26 -0.05 115.29 127.62 2wvd s HIS 101 Ca 0.06 -1.29 -0.08 0.00 0.25 0.00 0.00 55.06 54.00 2wvd s HIS 101 Cb -0.13 -4.41 0.08 0.00 -1.18 0.00 0.00 32.58 26.94 2wvd s HIS 101 CO 0.03 -1.61 1.58 0.52 -0.65 0.00 0.00 174.74 174.61 2wvd h MET 102 N 8.97 0.91 0.00 2.88 0.00 -1.70 -3.48 114.93 122.51 2wvd h MET 102 Ca 0.18 -0.38 -0.20 0.00 0.00 0.00 0.00 59.70 59.31 2wvd h MET 102 Cb 1.01 -0.03 -0.05 0.00 0.00 0.00 0.00 31.60 32.53 2wvd h MET 102 CO 1.21 1.04 -0.10 -3.47 0.00 0.00 0.00 176.91 175.59 2wvd n ASP 103 N -4.11 -0.99 0.11 1.22 4.64 -0.91 -4.97 116.55 111.54 2wvd n ASP 103 Ca 0.00 -2.35 -0.04 0.00 -1.38 0.00 0.00 54.79 51.02 2wvd n ASP 103 Cb 0.45 1.85 0.13 0.00 -1.04 0.00 0.00 41.12 42.51 2wvd n ASP 103 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2wvd h GLU 104 N 0.00 0.14 -0.02 -0.67 4.81 -2.02 -3.31 114.58 113.51 2wvd h GLU 104 Ca -0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2wvd h GLU 104 Cb 0.85 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2wvd h GLU 104 CO 0.27 0.72 0.00 0.72 -0.73 0.00 0.00 179.01 179.98 2wvd n HIS 105 N -3.83 0.02 -4.36 0.92 8.25 -1.26 -4.83 115.22 110.13 2wvd n HIS 105 Ca -0.02 -0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.07 2wvd n HIS 105 Cb 0.63 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.57 2wvd n HIS 105 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2wvd s ASN 106 N -0.48 3.18 -0.13 0.41 0.01 -1.25 -3.63 114.94 113.05 2wvd s ASN 106 Ca 0.06 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.60 2wvd s ASN 106 Cb 0.04 -1.48 -0.01 0.00 0.41 0.00 0.00 41.25 40.22 2wvd s ASN 106 CO 0.06 0.04 -0.15 0.00 -1.51 0.00 0.00 177.10 175.54 2wvd s LEU 108 N 0.49 4.27 -0.07 0.00 2.96 0.92 -1.85 118.68 125.40 2wvd s LEU 108 Ca -0.11 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2wvd s LEU 108 Cb -0.16 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.19 2wvd s LEU 108 CO 0.05 0.14 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.42 2wvd s GLU 109 N 0.24 1.45 -0.18 1.98 2.12 0.83 -0.10 118.70 125.05 2wvd s GLU 109 Ca 0.17 -0.29 -0.09 0.00 0.36 0.00 0.00 54.97 55.12 2wvd s GLU 109 Cb -0.13 -1.32 -0.05 0.00 0.26 0.00 0.00 34.13 32.89 2wvd s GLU 109 CO 0.04 -0.08 0.12 0.95 -0.54 0.00 0.00 175.26 175.75 2wvd s THR 110 N 1.02 5.30 -0.15 -1.70 -4.23 -0.84 -0.27 115.64 114.77 2wvd s THR 110 Ca -0.08 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2wvd s THR 110 Cb -0.15 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.34 2wvd s THR 110 CO -0.00 0.49 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.84 2wvd s ILE 111 N 0.00 1.35 -0.22 2.99 1.01 0.02 -1.79 121.20 124.56 2wvd s ILE 111 Ca 0.09 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 2wvd s ILE 111 Cb -0.11 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2wvd s ILE 111 CO -0.00 0.32 0.50 -0.63 0.00 0.00 0.00 174.94 175.13 2wvd s ILE 112 N 1.56 5.11 0.05 2.92 1.01 -0.01 -0.88 121.20 130.97 2wvd s ILE 112 Ca 0.03 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 61.55 2wvd s ILE 112 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2wvd s ILE 112 CO -0.09 0.16 -0.01 -1.48 0.00 0.00 0.00 174.94 173.52 2wvd s LEU 113 N 1.78 2.39 0.07 2.97 0.05 -0.83 -0.06 118.68 125.05 2wvd s LEU 113 Ca 0.22 -0.98 0.04 0.00 0.05 0.00 0.00 54.13 53.47 2wvd s LEU 113 Cb -0.15 0.27 -0.03 0.00 -2.05 0.00 0.00 46.19 44.23 2wvd s LEU 113 CO 0.09 -0.61 -0.12 0.00 -0.55 0.00 0.00 176.35 175.16 2wvd s GLN 114 N -3.92 0.77 0.00 1.48 1.03 -0.11 -1.09 119.66 117.82 2wvd s GLN 114 Ca 0.07 -0.97 0.00 0.00 0.04 0.00 0.00 55.36 54.50 2wvd s GLN 114 Cb 0.08 -0.66 0.00 0.00 0.03 0.00 0.00 33.01 32.46 2wvd s GLN 114 CO -0.10 0.13 0.00 0.41 -2.54 0.00 0.00 175.29 173.19 2wvd n GLY 115 N 1.14 -1.38 3.92 2.60 0.00 -0.53 -0.20 105.19 110.74 2wvd n GLY 115 Ca -0.20 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.53 2wvd n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvd s ASN 116 N -3.65 4.79 0.22 1.61 2.20 -1.26 0.17 114.94 119.02 2wvd s ASN 116 Ca 0.00 0.52 -0.08 0.00 -0.94 0.00 0.00 52.86 52.36 2wvd s ASN 116 Cb 0.00 -1.15 0.36 0.00 -2.00 0.00 0.00 41.25 38.46 2wvd s ASN 116 CO 0.00 -1.63 1.70 0.28 -2.94 0.00 0.00 177.10 174.51 2wvd h SER 117 N -0.66 0.05 -0.26 3.54 0.02 -1.87 -2.58 113.55 111.79 2wvd h SER 117 Ca -0.45 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2wvd h SER 117 Cb 1.32 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2wvd h SER 117 CO 0.61 0.01 0.05 0.15 -1.14 0.00 0.00 176.83 176.52 2wvd h PHE 118 N 0.29 0.46 -0.60 3.45 3.57 -1.95 -1.44 116.94 120.72 2wvd h PHE 118 Ca 0.36 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 2wvd h PHE 118 Cb 0.55 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2wvd h PHE 118 CO -0.24 0.53 0.07 0.93 -2.23 0.00 0.00 178.31 177.37 2wvd h GLU 119 N 0.25 1.01 -0.32 1.11 5.08 -1.82 -0.40 114.58 119.49 2wvd h GLU 119 Ca 0.08 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 2wvd h GLU 119 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2wvd h GLU 119 CO 0.00 0.97 -0.01 0.82 -1.00 0.00 0.00 179.01 179.79 2wvd h ILE 120 N 0.91 1.26 -0.69 3.13 2.04 -1.40 0.55 117.51 123.32 2wvd h ILE 120 Ca 0.18 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 2wvd h ILE 120 Cb 0.47 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2wvd h ILE 120 CO 0.02 0.32 0.24 -0.61 0.00 0.00 0.00 178.15 178.11 2wvd h GLN 121 N 0.36 1.06 -0.56 2.37 5.75 -1.19 -2.79 115.11 120.12 2wvd h GLN 121 Ca 0.09 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 2wvd h GLN 121 Cb 0.45 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 2wvd h GLN 121 CO 0.02 0.90 -0.08 -0.09 -2.65 0.00 0.00 178.83 176.93 2wvd h ARG 122 N 1.00 1.02 -0.90 1.69 9.65 -0.86 -2.11 114.38 123.88 2wvd h ARG 122 Ca 0.23 -0.36 0.04 0.00 -1.10 0.00 0.00 59.98 58.78 2wvd h ARG 122 Cb 0.27 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 2wvd h ARG 122 CO -0.01 1.05 0.58 1.25 2.80 0.00 0.00 179.97 185.64 2wvd h LEU 123 N 0.92 0.96 -0.54 3.80 5.85 -0.78 -1.89 115.31 123.63 2wvd h LEU 123 Ca 0.15 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2wvd h LEU 123 Cb 0.64 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2wvd h LEU 123 CO 0.04 0.66 0.08 -0.61 -0.34 0.00 0.00 178.44 178.27 2wvd h GLN 124 N 1.12 0.90 -0.47 1.25 -0.00 -1.22 -1.94 115.11 114.76 2wvd h GLN 124 Ca 0.36 -0.24 0.01 0.00 -0.00 0.00 0.00 58.65 58.78 2wvd h GLN 124 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.37 2wvd h GLN 124 CO -0.12 0.88 0.30 1.25 0.00 0.00 0.00 178.83 181.14 2wvd h LEU 125 N 0.79 0.52 0.03 -2.39 5.85 -0.87 -0.67 115.31 118.56 2wvd h LEU 125 Ca 0.16 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.60 2wvd h LEU 125 Cb 0.42 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.34 2wvd h LEU 125 CO 0.01 0.37 -1.12 -0.33 -0.34 0.00 0.00 178.44 177.04 2wvd h GLU 126 N 0.62 0.64 -0.26 1.25 5.08 -1.31 -3.01 114.58 117.60 2wvd h GLU 126 Ca 0.18 -0.76 -0.09 0.00 -1.00 0.00 0.00 59.36 57.69 2wvd h GLU 126 Cb -0.05 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2wvd h GLU 126 CO -0.05 1.33 -0.21 0.82 -1.00 0.00 0.00 179.01 179.90 2wvd h ILE 127 N 0.33 1.25 -0.00 3.13 1.08 -1.33 -2.92 117.51 119.05 2wvd h ILE 127 Ca -0.15 -1.18 -0.06 0.00 -0.39 0.00 0.00 64.86 63.08 2wvd h ILE 127 Cb 1.78 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 2wvd h ILE 127 CO 0.21 0.38 -0.30 1.23 -0.69 0.00 0.00 178.15 178.98 2wvd h GLY 128 N 0.98 0.01 -0.55 5.37 0.00 -1.08 -3.15 103.07 104.66 2wvd h GLY 128 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2wvd h GLY 128 CO 0.04 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.17 2wvd n GLY 129 N -0.67 0.04 3.77 4.60 0.00 -1.10 -4.84 105.19 106.98 2wvd n GLY 129 Ca -0.02 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2wvd n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wvd s LEU 130 N -2.05 4.31 0.01 0.99 1.43 -1.19 -4.99 118.68 117.19 2wvd s LEU 130 Ca 0.36 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.30 2wvd s LEU 130 Cb 0.21 -3.94 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 2wvd s LEU 130 CO 0.35 -0.36 1.47 -0.60 0.23 0.00 0.00 176.35 177.44 2wvd s ARG 131 N -2.05 4.25 0.00 1.70 3.52 -1.26 -2.32 118.95 122.79 2wvd s ARG 131 Ca 0.52 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 2wvd s ARG 131 Cb -0.27 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 2wvd s ARG 131 CO 0.34 -0.63 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 2wvd n GLY 132 N 3.76 2.13 3.64 8.12 0.00 -1.26 -4.99 105.19 116.58 2wvd n GLY 132 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2wvd n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvd s VAL 133 N -2.34 5.13 -0.55 1.61 1.01 -0.98 -1.55 120.40 122.73 2wvd s VAL 133 Ca 0.00 0.80 0.10 0.00 0.00 0.00 0.00 61.98 62.88 2wvd s VAL 133 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 2wvd s VAL 133 CO 0.00 0.16 0.46 0.29 0.00 0.00 0.00 175.10 176.01 2wvd n LYS 134 N 5.10 3.44 -3.64 2.72 5.02 0.39 -4.83 118.16 126.37 2wvd n LYS 134 Ca -0.06 -0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 2wvd n LYS 134 Cb 0.50 -0.99 -0.07 0.00 -0.02 0.00 0.00 35.03 34.45 2wvd n LYS 134 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2wvd s PHE 135 N -1.85 -0.80 -0.43 2.13 2.19 -1.11 -4.96 117.98 113.15 2wvd s PHE 135 Ca 0.05 1.78 0.06 0.00 0.33 0.00 0.00 56.93 59.15 2wvd s PHE 135 Cb 0.08 0.41 0.17 0.00 -1.31 0.00 0.00 43.02 42.37 2wvd s PHE 135 CO 0.38 -0.39 0.56 0.00 1.83 0.00 0.00 175.22 177.60 2wvd s ALA 136 N 0.83 -1.41 -0.15 11.12 0.00 -1.25 -1.00 121.76 129.90 2wvd s ALA 136 Ca -0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 2wvd s ALA 136 Cb -0.05 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2wvd s ALA 136 CO -0.08 -2.18 0.05 0.21 0.00 0.00 0.00 175.76 173.76 2wvd s LYS 137 N 1.31 3.69 -0.19 0.00 2.20 -0.22 -4.90 119.74 121.63 2wvd s LYS 137 Ca 0.21 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 2wvd s LYS 137 Cb -0.06 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 2wvd s LYS 137 CO -0.06 0.43 0.15 -1.17 -0.36 0.00 0.00 175.35 174.34 2wvd s LEU 138 N -0.09 4.23 -0.32 5.43 2.96 -1.26 -0.87 118.68 128.77 2wvd s LEU 138 Ca 0.06 0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 2wvd s LEU 138 Cb -0.12 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.49 2wvd s LEU 138 CO 0.01 0.20 0.06 -0.89 -1.32 0.00 0.00 176.35 174.41 2wvd s THR 139 N 0.21 3.51 -0.19 3.68 2.01 0.13 -4.98 115.64 120.02 2wvd s THR 139 Ca 0.10 -1.16 -0.26 0.00 0.31 0.00 0.00 61.69 60.67 2wvd s THR 139 Cb -0.11 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 2wvd s THR 139 CO -0.01 -0.11 0.90 -0.54 -0.69 0.00 0.00 174.62 174.17 2wvd s LYS 140 N 1.36 4.28 -0.05 4.92 1.02 -1.26 -0.85 119.74 129.17 2wvd s LYS 140 Ca -0.02 1.12 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 2wvd s LYS 140 Cb -0.19 -3.60 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2wvd s LYS 140 CO 0.01 -0.43 -0.11 0.00 -0.92 0.00 0.00 175.35 173.91 2wvd n ALA 141 N 5.58 0.72 -3.65 5.17 0.00 -1.13 -4.93 120.51 122.27 2wvd n ALA 141 Ca 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 2wvd n ALA 141 Cb 0.48 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 2wvd n ALA 141 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wvd s SER 142 N -4.78 -0.16 0.37 0.00 0.15 -1.13 -5.03 113.70 103.11 2wvd s SER 142 Ca -0.09 -0.19 -0.28 0.00 0.70 0.00 0.00 55.95 56.09 2wvd s SER 142 Cb 0.01 0.31 -0.11 0.00 -1.71 0.00 0.00 66.02 64.53 2wvd s SER 142 CO 0.13 -0.56 1.44 -0.44 1.20 0.00 0.00 173.24 175.01 2wvd s SER 143 N -2.78 6.40 -0.23 5.45 0.01 -1.26 -1.09 113.70 120.20 2wvd s SER 143 Ca 0.11 2.95 -0.19 0.00 1.31 0.00 0.00 55.95 60.13 2wvd s SER 143 Cb 0.01 -2.66 0.06 0.00 0.21 0.00 0.00 66.02 63.64 2wvd s SER 143 CO -0.03 -0.82 0.59 0.12 0.41 0.00 0.00 173.24 173.52 2wvd s PHE 144 N -1.14 -0.71 -1.54 2.43 2.19 -0.93 -4.75 117.98 113.53 2wvd s PHE 144 Ca 0.53 1.65 0.12 0.00 0.33 0.00 0.00 56.93 59.56 2wvd s PHE 144 Cb -0.45 0.29 0.10 0.00 -1.31 0.00 0.00 43.02 41.65 2wvd s PHE 144 CO 0.60 -0.35 0.89 -0.85 1.83 0.00 0.00 175.22 177.34