#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wvb s ILE 10 N 0.00 -0.19 -0.19 -1.33 1.01 -1.26 -5.14 121.20 114.10 2wvb s ILE 10 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 2wvb s ILE 10 Cb 0.00 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.11 2wvb s ILE 10 CO 0.00 0.09 -0.15 -0.63 0.00 0.00 0.00 174.94 174.26 2wvb s ILE 11 N 1.77 2.53 0.16 2.92 1.09 -1.26 -5.11 121.20 123.31 2wvb s ILE 11 Ca -0.04 -0.78 -0.12 0.00 -1.10 0.00 0.00 60.65 58.60 2wvb s ILE 11 Cb -0.11 -2.10 -0.07 0.00 -1.06 0.00 0.00 42.46 39.12 2wvb s ILE 11 CO -0.08 0.50 0.53 0.00 -0.10 0.00 0.00 174.94 175.79 2wvb s ARG 12 N 1.27 3.89 0.07 2.79 3.03 -1.26 -5.09 118.95 123.65 2wvb s ARG 12 Ca 0.04 0.37 -0.10 0.00 2.03 0.00 0.00 55.73 58.07 2wvb s ARG 12 Cb -0.14 -2.86 0.01 0.00 -1.03 0.00 0.00 34.95 30.93 2wvb s ARG 12 CO -0.08 0.44 0.23 -0.59 -1.13 0.00 0.00 175.30 174.17 2wvb s PHE 13 N -1.56 0.06 0.03 5.89 -0.12 -1.26 -5.16 117.98 115.86 2wvb s PHE 13 Ca 0.40 -0.37 -0.16 0.00 -0.05 0.00 0.00 56.93 56.75 2wvb s PHE 13 Cb -0.14 -0.00 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 2wvb s PHE 13 CO 0.20 -0.52 0.46 -1.12 -0.05 0.00 0.00 175.22 174.19 2wvb s SER 14 N -2.52 6.88 -0.07 1.98 0.01 -1.26 -5.08 113.70 113.64 2wvb s SER 14 Ca 0.00 1.05 0.05 0.00 1.31 0.00 0.00 55.95 58.37 2wvb s SER 14 Cb 0.02 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.96 2wvb s SER 14 CO -0.08 0.30 -0.23 -0.69 0.41 0.00 0.00 173.24 172.95 2wvb s VAL 15 N -1.11 1.89 -0.09 3.43 1.01 -1.26 -5.13 120.40 119.14 2wvb s VAL 15 Ca 0.26 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2wvb s VAL 15 Cb -0.17 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2wvb s VAL 15 CO 0.15 0.53 0.07 -0.44 0.00 0.00 0.00 175.10 175.41 2wvb s SER 16 N 0.10 5.75 0.09 3.32 0.01 -1.26 -5.10 113.70 116.61 2wvb s SER 16 Ca -0.10 0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.17 2wvb s SER 16 Cb -0.15 -1.73 0.08 0.00 0.21 0.00 0.00 66.02 64.43 2wvb s SER 16 CO 0.05 0.38 0.93 -1.48 0.41 0.00 0.00 173.24 173.54 2wvb s LEU 17 N -1.03 -0.25 0.27 2.44 2.34 -1.26 -5.16 118.68 116.04 2wvb s LEU 17 Ca 0.15 -0.25 -0.29 0.00 0.06 0.00 0.00 54.13 53.80 2wvb s LEU 17 Cb -0.12 2.10 -0.09 0.00 -0.56 0.00 0.00 46.19 47.52 2wvb s LEU 17 CO 0.04 -0.79 1.14 0.00 -1.06 0.00 0.00 176.35 175.68 2wvb s GLN 18 N -3.22 4.59 0.24 1.48 -2.07 -1.26 -4.88 119.66 114.54 2wvb s GLN 18 Ca 0.09 1.87 -0.04 0.00 -1.82 0.00 0.00 55.36 55.46 2wvb s GLN 18 Cb -0.01 -3.18 0.45 0.00 -1.09 0.00 0.00 33.01 29.18 2wvb s GLN 18 CO -0.02 0.12 1.74 0.37 -1.32 0.00 0.00 175.29 176.19 2wvb h GLN 19 N 3.93 0.49 -0.16 9.60 5.75 -2.01 -0.16 115.11 132.55 2wvb h GLN 19 Ca -0.47 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.03 2wvb h GLN 19 Cb 1.21 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 2wvb h GLN 19 CO 0.68 0.32 -0.53 -0.91 -2.65 0.00 0.00 178.83 175.74 2wvb h ASN 20 N 0.50 -1.70 -0.63 -0.69 2.35 -2.01 0.16 115.58 113.57 2wvb h ASN 20 Ca 0.41 0.20 0.09 0.00 -0.55 0.00 0.00 56.30 56.45 2wvb h ASN 20 Cb 0.58 0.67 -0.07 0.00 0.05 0.00 0.00 38.32 39.55 2wvb h ASN 20 CO -0.37 -0.47 0.27 0.25 -1.65 0.00 0.00 177.43 175.46 2wvb h LEU 21 N -0.55 0.32 -1.49 1.61 5.85 -1.69 -2.17 115.31 117.17 2wvb h LEU 21 Ca 0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2wvb h LEU 21 Cb 0.66 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2wvb h LEU 21 CO -0.44 0.19 0.05 0.25 -0.34 0.00 0.00 178.44 178.15 2wvb h LEU 22 N 0.48 0.35 -0.78 2.25 5.85 -0.32 -2.50 115.31 120.64 2wvb h LEU 22 Ca 0.31 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 2wvb h LEU 22 Cb 0.34 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2wvb h LEU 22 CO -0.27 0.37 0.07 0.44 -0.34 0.00 0.00 178.44 178.71 2wvb h ASP 23 N 0.38 0.95 -0.38 1.25 3.32 -0.31 0.45 116.42 122.08 2wvb h ASP 23 Ca 0.09 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 2wvb h ASP 23 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2wvb h ASP 23 CO -0.00 0.97 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.09 2wvb h GLU 24 N 0.93 0.72 0.73 3.56 5.08 -1.47 -2.38 114.58 121.76 2wvb h GLU 24 Ca 0.18 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2wvb h GLU 24 Cb 0.44 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2wvb h GLU 24 CO 0.01 0.85 -0.35 1.25 -1.00 0.00 0.00 179.01 179.77 2wvb h LEU 25 N 0.53 -0.83 0.00 1.33 5.85 -1.04 -2.50 115.31 118.64 2wvb h LEU 25 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wvb h LEU 25 Cb 0.57 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2wvb h LEU 25 CO 0.03 -0.57 0.14 0.47 -0.34 0.00 0.00 178.44 178.17 2wvb n ASP 26 N -4.82 0.00 0.09 1.25 10.43 0.15 -1.31 116.55 122.35 2wvb n ASP 26 Ca -0.12 0.33 -0.03 0.00 2.57 0.00 0.00 54.79 57.55 2wvb n ASP 26 Cb 0.39 -0.33 -0.06 0.00 1.84 0.00 0.00 41.12 42.96 2wvb n ASP 26 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 2wvb h ASN 27 N 0.00 0.00 -0.59 -2.24 -0.73 -0.95 -3.34 115.58 107.73 2wvb h ASN 27 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2wvb h ASN 27 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 2wvb h ASN 27 CO 0.00 0.76 0.00 0.54 -0.37 0.00 0.00 177.43 178.36 2wvb n ARG 28 N -3.25 2.89 0.06 6.67 1.74 -0.43 -4.49 116.66 119.85 2wvb n ARG 28 Ca -0.01 -2.50 -0.09 0.00 -0.77 0.00 0.00 57.85 54.48 2wvb n ARG 28 Cb 0.85 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 2wvb n ARG 28 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wvb h ILE 29 N 3.50 0.67 0.00 0.55 2.04 -1.68 -1.18 117.51 121.41 2wvb h ILE 29 Ca 0.00 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2wvb h ILE 29 Cb 0.97 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2wvb h ILE 29 CO 0.03 0.18 -0.10 0.16 0.00 0.00 0.00 178.15 178.42 2wvb h ILE 30 N -0.94 0.61 0.04 -0.67 -2.65 -1.80 -0.54 117.51 111.56 2wvb h ILE 30 Ca -0.02 -0.42 -0.25 0.00 1.03 0.00 0.00 64.86 65.19 2wvb h ILE 30 Cb 0.48 1.27 0.01 0.00 -2.05 0.00 0.00 36.82 36.53 2wvb h ILE 30 CO 0.04 0.10 -1.05 0.11 0.03 0.00 0.00 178.15 177.38 2wvb h LYS 31 N 0.00 0.46 -0.23 0.16 1.57 -1.78 -3.30 116.57 113.45 2wvb h LYS 31 Ca -0.00 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2wvb h LYS 31 Cb 0.26 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2wvb h LYS 31 CO 0.01 1.20 0.00 0.09 -0.57 0.00 0.00 179.45 180.18 2wvb n ASN 32 N -3.73 1.31 0.00 0.86 3.02 -0.45 -4.85 115.26 111.42 2wvb n ASN 32 Ca -0.09 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 2wvb n ASN 32 Cb 0.89 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 2wvb n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wvb n GLY 33 N 0.93 0.73 3.89 7.41 0.00 -1.15 -5.04 105.19 111.95 2wvb n GLY 33 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2wvb n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wvb s TYR 34 N -2.70 3.52 -0.08 1.61 2.02 -0.26 -5.00 117.35 116.46 2wvb s TYR 34 Ca 0.00 0.94 0.16 0.00 -0.37 0.00 0.00 57.07 57.80 2wvb s TYR 34 Cb 0.00 -2.38 -0.24 0.00 -0.40 0.00 0.00 41.96 38.94 2wvb s TYR 34 CO 0.00 -0.20 0.25 -1.13 -1.57 0.00 0.00 175.55 172.90 2wvb n SER 35 N -1.79 1.06 -4.11 2.29 3.41 -1.26 -4.20 113.62 109.03 2wvb n SER 35 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.52 2wvb n SER 35 Cb 0.54 1.44 -0.11 0.00 -0.26 0.00 0.00 64.21 65.83 2wvb n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wvb s SER 36 N -4.37 0.89 0.42 4.04 1.04 -1.26 -5.05 113.70 109.41 2wvb s SER 36 Ca -0.07 -0.82 0.16 0.00 0.48 0.00 0.00 55.95 55.71 2wvb s SER 36 Cb 0.09 0.09 1.06 0.00 0.10 0.00 0.00 66.02 67.35 2wvb s SER 36 CO 0.69 -0.39 1.88 0.08 0.98 0.00 0.00 173.24 176.49 2wvb h ARG 37 N 3.62 0.41 -0.60 4.02 -0.00 -1.97 -2.91 114.38 116.96 2wvb h ARG 37 Ca -0.35 -0.02 0.11 0.00 -0.00 0.00 0.00 59.98 59.72 2wvb h ARG 37 Cb 1.18 -0.09 -0.12 0.00 -0.00 0.00 0.00 29.97 30.94 2wvb h ARG 37 CO 0.55 0.27 -0.27 0.77 -0.00 0.00 0.00 179.97 181.30 2wvb h SER 38 N 0.43 -0.94 0.37 0.08 0.02 -1.98 -2.99 113.55 108.54 2wvb h SER 38 Ca 0.43 0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.55 2wvb h SER 38 Cb 1.03 0.50 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 2wvb h SER 38 CO -0.16 -0.27 -0.22 -0.33 -1.14 0.00 0.00 176.83 174.71 2wvb h GLU 39 N -0.11 0.00 -0.26 3.45 5.08 -1.93 2.80 114.58 123.61 2wvb h GLU 39 Ca 0.26 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.44 2wvb h GLU 39 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2wvb h GLU 39 CO -0.67 0.22 -0.56 1.25 -1.00 0.00 0.00 179.01 178.26 2wvb h LEU 40 N 0.00 0.91 -0.22 1.33 5.85 -1.73 -2.82 115.31 118.63 2wvb h LEU 40 Ca -0.00 -0.49 -0.17 0.00 0.84 0.00 0.00 57.88 58.06 2wvb h LEU 40 Cb 0.47 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2wvb h LEU 40 CO 0.03 1.28 -0.51 0.58 -0.34 0.00 0.00 178.44 179.47 2wvb h VAL 41 N 0.62 1.30 -0.72 1.05 2.07 -0.15 -1.14 116.25 119.28 2wvb h VAL 41 Ca 0.01 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 65.88 2wvb h VAL 41 Cb 1.16 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.67 2wvb h VAL 41 CO 0.12 0.55 0.39 -0.09 0.02 0.00 0.00 177.57 178.56 2wvb h ARG 42 N 0.47 0.68 0.02 1.57 2.43 0.46 0.14 114.38 120.16 2wvb h ARG 42 Ca -0.00 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 2wvb h ARG 42 Cb 1.13 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2wvb h ARG 42 CO 0.11 0.45 -0.94 -0.44 -1.51 0.00 0.00 179.97 177.65 2wvb h ASP 43 N 0.70 0.25 -0.57 -3.80 3.32 -1.39 0.32 116.42 115.25 2wvb h ASP 43 Ca 0.33 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2wvb h ASP 43 Cb 0.26 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2wvb h ASP 43 CO -0.21 1.05 0.20 0.24 -1.72 0.00 0.00 179.24 178.80 2wvb h MET 44 N 0.09 0.86 -0.17 3.56 2.86 -0.87 -0.83 114.93 120.44 2wvb h MET 44 Ca -0.05 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 2wvb h MET 44 Cb 1.59 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 2wvb h MET 44 CO 0.14 0.76 0.08 0.82 1.06 0.00 0.00 176.91 179.77 2wvb h ILE 45 N 0.79 1.14 -0.21 -1.22 2.04 -0.44 -0.82 117.51 118.80 2wvb h ILE 45 Ca 0.19 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2wvb h ILE 45 Cb 0.24 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 2wvb h ILE 45 CO -0.01 0.13 -0.03 -0.09 0.00 0.00 0.00 178.15 178.16 2wvb h ARG 46 N 0.13 0.03 -0.68 2.37 2.43 -0.85 -1.03 114.38 116.79 2wvb h ARG 46 Ca 0.06 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2wvb h ARG 46 Cb 0.14 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2wvb h ARG 46 CO -0.01 0.02 0.43 1.49 -1.51 0.00 0.00 179.97 180.39 2wvb h GLU 47 N 0.03 0.82 -0.31 0.20 4.81 -0.90 -1.36 114.58 117.86 2wvb h GLU 47 Ca 0.10 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 2wvb h GLU 47 Cb 0.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2wvb h GLU 47 CO -0.19 0.54 -0.49 -0.22 -0.73 0.00 0.00 179.01 177.92 2wvb h LYS 48 N 0.84 0.85 -0.31 1.92 1.63 -0.84 -1.88 116.57 118.78 2wvb h LYS 48 Ca 0.27 -0.51 -0.11 0.00 -0.85 0.00 0.00 60.65 59.45 2wvb h LYS 48 Cb 0.00 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2wvb h LYS 48 CO -0.10 1.14 -0.26 -0.07 -3.45 0.00 0.00 179.45 176.72 2wvb h LEU 49 N 0.67 0.63 -0.40 5.20 3.38 -0.99 -0.73 115.31 123.07 2wvb h LEU 49 Ca 0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2wvb h LEU 49 Cb 1.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2wvb h LEU 49 CO 0.11 0.87 0.07 0.58 0.09 0.00 0.00 178.44 180.16 2wvb h VAL 50 N 0.54 1.24 -0.52 1.22 2.07 -1.17 -1.55 116.25 118.08 2wvb h VAL 50 Ca 0.07 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2wvb h VAL 50 Cb 0.73 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2wvb h VAL 50 CO 0.06 0.29 0.30 -0.33 0.02 0.00 0.00 177.57 177.91 2wvb h GLU 51 N 0.51 0.58 -0.80 1.57 5.08 -1.08 -1.00 114.58 119.44 2wvb h GLU 51 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wvb h GLU 51 Cb 0.35 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2wvb h GLU 51 CO 0.01 0.38 0.51 -0.44 -1.00 0.00 0.00 179.01 178.47 2wvb h ASP 52 N 0.60 0.93 -0.64 1.42 3.32 -1.05 -1.64 116.42 119.37 2wvb h ASP 52 Ca 0.22 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 2wvb h ASP 52 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2wvb h ASP 52 CO -0.11 0.70 0.11 -1.13 -1.72 0.00 0.00 179.24 177.08 2wvb h ASN 53 N 1.09 1.01 0.76 6.45 -0.73 -0.83 -2.54 115.58 120.79 2wvb h ASN 53 Ca 0.29 -0.26 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 2wvb h ASN 53 Cb -0.09 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.23 2wvb h ASN 53 CO -0.06 1.02 -0.18 -0.50 -0.37 0.00 0.00 177.43 177.33 2wvb h TRP 54 N 0.97 0.00 0.00 0.67 4.06 -0.85 -2.90 115.95 117.90 2wvb h TRP 54 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 2wvb h TRP 54 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 2wvb h TRP 54 CO 0.03 0.18 0.00 0.00 -3.56 0.00 0.00 178.44 175.09 2wvb n ALA 55 N -2.23 2.21 -2.71 1.49 0.00 -0.65 -4.82 120.51 113.81 2wvb n ALA 55 Ca -0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 2wvb n ALA 55 Cb 0.37 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 2wvb n ALA 55 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wvb s GLU 56 N -3.01 2.14 0.00 0.00 -1.05 -1.10 -5.01 118.70 110.67 2wvb s GLU 56 Ca 0.13 -2.31 0.00 0.00 -0.15 0.00 0.00 54.97 52.64 2wvb s GLU 56 Cb 0.17 -1.58 0.00 0.00 -0.44 0.00 0.00 34.13 32.28 2wvb s GLU 56 CO 0.49 -0.28 0.00 -0.40 0.95 0.00 0.00 175.26 176.02 2wvb n ASP 57 N -1.20 0.00 -4.27 0.83 5.75 -1.26 -4.86 116.55 111.53 2wvb n ASP 57 Ca -0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.20 2wvb n ASP 57 Cb 0.67 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.68 2wvb n ASP 57 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2wvb s ASN 58 N 0.00 5.89 0.05 -1.12 0.02 -1.26 -4.80 114.94 113.72 2wvb s ASN 58 Ca 0.00 -1.73 0.27 0.00 -1.02 0.00 0.00 52.86 50.38 2wvb s ASN 58 Cb 0.00 -2.09 1.11 0.00 0.02 0.00 0.00 41.25 40.29 2wvb s ASN 58 CO 0.00 -0.71 1.86 -0.81 0.02 0.00 0.00 177.10 177.46 2wvb n PRO 59 N 5.05 0.06 -0.01 -0.60 -0.04 -1.26 -3.54 135.00 134.65 2wvb n PRO 59 Ca -0.11 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 2wvb n PRO 59 Cb 0.41 -1.57 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 2wvb n PRO 59 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wvb n ASN 60 N -1.67 0.09 -4.78 3.54 3.02 -1.26 -4.97 115.26 109.24 2wvb n ASN 60 Ca 0.06 0.04 -0.36 0.00 -0.03 0.00 0.00 54.58 54.29 2wvb n ASN 60 Cb 0.35 1.72 -0.01 0.00 -0.61 0.00 0.00 39.78 41.22 2wvb n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wvb s ASP 61 N -4.72 6.14 0.00 6.41 -1.08 -1.23 -4.95 116.67 117.23 2wvb s ASP 61 Ca -0.07 2.15 0.18 0.00 -0.52 0.00 0.00 52.55 54.28 2wvb s ASP 61 Cb 0.13 -2.58 0.29 0.00 -1.46 0.00 0.00 42.92 39.29 2wvb s ASP 61 CO 0.89 -0.93 1.11 -0.62 0.52 0.00 0.00 175.17 176.14 2wvb n GLU 62 N -0.79 0.00 0.00 4.34 -0.58 -1.26 -3.64 120.64 118.72 2wvb n GLU 62 Ca 0.09 -1.68 0.11 0.00 -0.42 0.00 0.00 57.16 55.26 2wvb n GLU 62 Cb 0.50 -0.16 0.01 0.00 -0.57 0.00 0.00 31.44 31.22 2wvb n GLU 62 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2wvb n SER 63 N 0.34 1.26 -4.77 1.62 2.88 -1.22 -2.97 113.62 110.76 2wvb n SER 63 Ca 0.04 -1.05 -0.41 0.00 -1.33 0.00 0.00 58.87 56.12 2wvb n SER 63 Cb 1.00 0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 65.11 2wvb n SER 63 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wvb s LYS 64 N -2.79 4.16 -0.00 -1.46 -0.14 -0.52 -4.75 119.74 114.24 2wvb s LYS 64 Ca 0.13 2.36 0.05 0.00 -1.36 0.00 0.00 55.97 57.15 2wvb s LYS 64 Cb 0.17 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 2wvb s LYS 64 CO 0.72 -0.41 -0.16 0.42 -0.76 0.00 0.00 175.35 175.17 2wvb s ILE 65 N -1.15 2.97 0.23 2.17 1.01 -1.26 -1.26 121.20 123.90 2wvb s ILE 65 Ca 0.52 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 2wvb s ILE 65 Cb -0.42 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 39.85 2wvb s ILE 65 CO 0.57 0.46 0.56 0.00 0.00 0.00 0.00 174.94 176.52 2wvb s ALA 66 N -0.84 -0.82 -0.10 9.38 0.00 -0.60 -2.68 121.76 126.11 2wvb s ALA 66 Ca 0.14 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.69 2wvb s ALA 66 Cb -0.11 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.94 2wvb s ALA 66 CO 0.03 -0.88 -0.16 0.08 0.00 0.00 0.00 175.76 174.83 2wvb s VAL 67 N -3.93 1.51 -0.23 0.00 1.01 -0.45 -0.90 120.40 117.41 2wvb s VAL 67 Ca 0.13 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2wvb s VAL 67 Cb -0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2wvb s VAL 67 CO 0.03 0.44 0.13 -0.22 0.00 0.00 0.00 175.10 175.48 2wvb s LEU 68 N 0.79 3.92 -0.20 3.92 2.96 -0.25 0.23 118.68 130.06 2wvb s LEU 68 Ca -0.11 0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2wvb s LEU 68 Cb -0.16 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2wvb s LEU 68 CO 0.02 0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.46 2wvb s VAL 69 N 1.08 4.44 -0.03 1.68 1.01 0.06 -0.81 120.40 127.83 2wvb s VAL 69 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2wvb s VAL 69 Cb -0.14 -3.02 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 2wvb s VAL 69 CO 0.04 0.42 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2wvb s VAL 70 N 0.87 1.16 -0.16 2.92 1.01 -0.57 -0.95 120.40 124.70 2wvb s VAL 70 Ca 0.03 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2wvb s VAL 70 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2wvb s VAL 70 CO 0.02 0.34 -0.17 -0.63 0.00 0.00 0.00 175.10 174.66 2wvb s ILE 71 N -0.07 2.43 0.11 2.22 1.01 -0.14 -0.80 121.20 125.97 2wvb s ILE 71 Ca -0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 2wvb s ILE 71 Cb -0.09 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 2wvb s ILE 71 CO 0.01 0.52 0.17 -0.72 0.00 0.00 0.00 174.94 174.92 2wvb s TYR 72 N 0.94 0.37 -0.60 3.97 -0.85 -0.59 -0.12 117.35 120.47 2wvb s TYR 72 Ca -0.03 -0.79 -0.22 0.00 -0.52 0.00 0.00 57.07 55.51 2wvb s TYR 72 Cb -0.15 -0.16 0.07 0.00 0.38 0.00 0.00 41.96 42.10 2wvb s TYR 72 CO -0.03 -0.57 0.86 0.34 -1.52 0.00 0.00 175.55 174.62 2wvb s ASP 73 N -2.93 6.21 0.00 -0.18 -1.08 0.00 -1.10 116.67 117.60 2wvb s ASP 73 Ca 0.12 -0.96 0.27 0.00 -0.52 0.00 0.00 52.55 51.46 2wvb s ASP 73 Cb 0.05 -2.38 1.30 0.00 -1.46 0.00 0.00 42.92 40.43 2wvb s ASP 73 CO -0.06 -1.25 1.90 0.00 0.52 0.00 0.00 175.17 176.28 2wvb n HIS 74 N 7.15 0.00 0.14 -5.34 1.44 -0.20 -2.26 115.22 116.15 2wvb n HIS 74 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 2wvb n HIS 74 Cb 0.45 -0.35 0.15 0.00 0.12 0.00 0.00 29.99 30.36 2wvb n HIS 74 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2wvb h HIS 75 N 0.00 0.00 -2.44 -1.40 -0.00 -1.91 -3.45 115.15 105.95 2wvb h HIS 75 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.83 2wvb h HIS 75 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2wvb h HIS 75 CO 0.00 0.60 1.19 -1.14 -0.00 0.00 0.00 177.93 178.58 2wvb s GLN 76 N -3.34 4.15 0.38 5.26 0.74 -0.96 -4.91 119.66 120.99 2wvb s GLN 76 Ca 0.00 2.50 -0.28 0.00 0.05 0.00 0.00 55.36 57.63 2wvb s GLN 76 Cb 0.11 -4.11 -0.11 0.00 1.10 0.00 0.00 33.01 30.00 2wvb s GLN 76 CO 0.75 -0.93 1.49 0.54 -0.55 0.00 0.00 175.29 176.59 2wvb n ARG 77 N 7.43 2.66 -0.05 1.67 5.12 -1.26 -2.39 116.66 129.84 2wvb n ARG 77 Ca 0.19 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 57.05 2wvb n ARG 77 Cb 0.42 -2.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 2wvb n ARG 77 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wvb n GLU 78 N 0.41 0.00 0.04 5.56 4.71 -1.26 -4.84 120.64 125.25 2wvb n GLU 78 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.04 2wvb n GLU 78 Cb 0.39 -2.43 -0.09 0.00 -1.01 0.00 0.00 31.44 28.31 2wvb n GLU 78 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2wvb h LEU 79 N 0.00 -0.06 -0.40 -4.62 5.85 -1.81 0.58 115.31 114.85 2wvb h LEU 79 Ca 0.00 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2wvb h LEU 79 Cb 0.00 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2wvb h LEU 79 CO 0.00 0.21 0.01 -1.13 -0.34 0.00 0.00 178.44 177.19 2wvb h ASN 80 N -0.34 -0.14 -0.54 1.25 -0.73 -1.89 -0.24 115.58 112.96 2wvb h ASN 80 Ca -0.01 0.09 -0.08 0.00 1.87 0.00 0.00 56.30 58.17 2wvb h ASN 80 Cb 0.30 0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 2wvb h ASN 80 CO 0.01 -0.03 0.02 -0.61 -0.37 0.00 0.00 177.43 176.45 2wvb h GLN 81 N 0.12 0.98 -0.73 6.67 5.75 -1.91 -2.05 115.11 123.94 2wvb h GLN 81 Ca 0.20 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2wvb h GLN 81 Cb 0.27 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 2wvb h GLN 81 CO -0.32 0.95 0.48 -0.09 -2.65 0.00 0.00 178.83 177.20 2wvb h ARG 82 N 0.90 0.93 -0.51 1.69 2.43 0.81 0.23 114.38 120.86 2wvb h ARG 82 Ca 0.17 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2wvb h ARG 82 Cb 0.49 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2wvb h ARG 82 CO 0.02 0.62 0.00 0.52 -1.51 0.00 0.00 179.97 179.62 2wvb h MET 83 N 0.96 0.86 -0.16 0.20 2.86 -0.81 -0.74 114.93 118.09 2wvb h MET 83 Ca 0.28 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2wvb h MET 83 Cb -0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2wvb h MET 83 CO -0.08 0.86 0.04 0.82 1.06 0.00 0.00 176.91 179.61 2wvb h ILE 84 N 0.80 1.20 -0.55 -1.22 2.04 -0.71 -1.09 117.51 117.98 2wvb h ILE 84 Ca 0.15 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.42 2wvb h ILE 84 Cb 0.48 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 2wvb h ILE 84 CO 0.02 0.19 0.28 0.44 0.00 0.00 0.00 178.15 179.09 2wvb h ASP 85 N 0.07 0.41 -0.42 1.72 3.32 -0.35 0.22 116.42 121.39 2wvb h ASP 85 Ca 0.05 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2wvb h ASP 85 Cb 0.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2wvb h ASP 85 CO 0.00 0.27 0.24 0.40 -1.72 0.00 0.00 179.24 178.44 2wvb h ILE 86 N 0.54 1.04 -0.19 0.35 2.04 -1.03 -1.25 117.51 119.01 2wvb h ILE 86 Ca 0.25 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.95 2wvb h ILE 86 Cb 0.16 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2wvb h ILE 86 CO -0.17 0.09 0.10 -0.61 0.00 0.00 0.00 178.15 177.56 2wvb h GLN 87 N 0.49 0.21 -0.84 2.37 -0.00 -0.56 -1.78 115.11 115.01 2wvb h GLN 87 Ca 0.17 -0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.89 2wvb h GLN 87 Cb 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 27.48 27.39 2wvb h GLN 87 CO -0.08 0.14 0.55 0.45 0.00 0.00 0.00 178.83 179.88 2wvb h HIS 88 N 0.21 0.90 -0.00 3.99 3.86 -0.12 -1.89 115.15 122.10 2wvb h HIS 88 Ca 0.07 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2wvb h HIS 88 Cb 0.00 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.18 2wvb h HIS 88 CO -0.08 0.45 -0.20 0.00 0.86 0.00 0.00 177.93 178.95 2wvb n ALA 89 N -2.42 2.81 0.19 2.45 0.00 -0.52 -3.94 120.51 119.09 2wvb n ALA 89 Ca 0.13 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.46 2wvb n ALA 89 Cb 0.26 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.54 2wvb n ALA 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wvb h SER 90 N 0.00 0.00 0.00 0.00 4.64 -0.47 -3.47 113.55 114.25 2wvb h SER 90 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wvb h SER 90 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2wvb h SER 90 CO 0.00 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 2wvb n GLY 91 N 1.05 1.78 3.82 -0.77 0.00 -1.25 -4.77 105.19 105.05 2wvb n GLY 91 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2wvb n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wvb s THR 92 N -2.87 3.70 -0.20 2.61 -4.23 -1.26 -4.90 115.64 108.49 2wvb s THR 92 Ca 0.00 0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 61.05 2wvb s THR 92 Cb 0.00 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.52 2wvb s THR 92 CO 0.00 -0.72 -0.11 -2.28 -0.54 0.00 0.00 174.62 170.97 2wvb s HIS 93 N -3.11 2.88 -0.22 3.99 2.46 0.51 -4.92 115.29 116.88 2wvb s HIS 93 Ca 0.59 -1.18 -0.26 0.00 0.47 0.00 0.00 55.06 54.68 2wvb s HIS 93 Cb -0.14 -2.01 -0.00 0.00 -0.13 0.00 0.00 32.58 30.29 2wvb s HIS 93 CO 0.54 -0.62 0.87 0.08 -2.47 0.00 0.00 174.74 173.14 2wvb s VAL 94 N 1.32 4.82 -0.00 0.89 1.01 -1.26 -0.97 120.40 126.20 2wvb s VAL 94 Ca 0.04 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2wvb s VAL 94 Cb -0.14 -4.16 -0.26 0.00 0.00 0.00 0.00 36.38 31.83 2wvb s VAL 94 CO -0.06 -0.07 0.82 -0.07 0.00 0.00 0.00 175.10 175.72 2wvb h LEU 95 N 9.05 0.25 -7.00 3.92 3.38 -1.01 -3.49 115.31 120.41 2wvb h LEU 95 Ca -0.24 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.42 2wvb h LEU 95 Cb 1.09 -0.08 -0.25 0.00 0.09 0.00 0.00 40.66 41.51 2wvb h LEU 95 CO 0.89 1.33 0.48 0.00 0.09 0.00 0.00 178.44 181.22 2wvb s THR 97 N -0.16 1.04 -0.04 0.00 2.01 -1.26 -0.61 115.64 116.63 2wvb s THR 97 Ca 0.02 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.65 2wvb s THR 97 Cb -0.04 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 2wvb s THR 97 CO -0.04 0.33 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.13 2wvb s THR 98 N 0.70 2.48 -0.01 -0.82 2.01 -0.39 -4.97 115.64 114.63 2wvb s THR 98 Ca -0.14 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 60.94 2wvb s THR 98 Cb -0.16 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 2wvb s THR 98 CO 0.03 0.58 -0.08 0.00 -0.69 0.00 0.00 174.62 174.47 2wvb s ALA 99 N -0.59 0.63 0.05 7.40 0.00 -1.26 -0.25 121.76 127.73 2wvb s ALA 99 Ca 0.09 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2wvb s ALA 99 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2wvb s ALA 99 CO 0.00 0.15 -0.10 0.96 0.00 0.00 0.00 175.76 176.77 2wvb s ILE 100 N -0.15 0.75 0.06 0.00 -5.25 -0.05 -5.00 121.20 111.57 2wvb s ILE 100 Ca 0.02 -1.06 -0.27 0.00 -0.99 0.00 0.00 60.65 58.36 2wvb s ILE 100 Cb -0.03 -0.76 -0.06 0.00 2.95 0.00 0.00 42.46 44.56 2wvb s ILE 100 CO -0.00 -0.25 0.83 0.00 -1.79 0.00 0.00 174.94 173.73 2wvb s ALA 101 N -1.18 3.33 -0.19 2.27 0.00 -1.26 -0.60 121.76 124.12 2wvb s ALA 101 Ca -0.05 0.37 0.13 0.00 0.00 0.00 0.00 51.96 52.41 2wvb s ALA 101 Cb -0.09 -3.08 -0.23 0.00 0.00 0.00 0.00 23.12 19.71 2wvb s ALA 101 CO 0.01 0.04 0.08 -1.33 0.00 0.00 0.00 175.76 174.56 2wvb n MET 102 N 2.81 0.68 -0.83 0.00 2.81 -0.51 -4.90 117.12 117.17 2wvb n MET 102 Ca -0.01 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2wvb n MET 102 Cb 0.50 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 2wvb n MET 102 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2wvb n ASP 103 N -2.93 0.00 -0.33 7.83 5.75 -1.10 -5.01 116.55 120.77 2wvb n ASP 103 Ca -0.34 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2wvb n ASP 103 Cb 1.10 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 41.37 2wvb n ASP 103 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2wvb h GLU 104 N 0.00 1.17 0.00 0.11 -0.00 -2.03 -3.29 114.58 110.54 2wvb h GLU 104 Ca 0.00 -0.07 -0.33 0.00 -0.00 0.00 0.00 59.36 58.96 2wvb h GLU 104 Cb 0.00 -0.26 -0.06 0.00 -0.00 0.00 0.00 28.75 28.42 2wvb h GLU 104 CO 0.00 0.78 -2.26 -2.39 -0.00 0.00 0.00 179.01 175.14 2wvb n HIS 105 N -4.42 0.00 -3.53 2.06 -0.00 -1.26 -4.92 115.22 103.16 2wvb n HIS 105 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.47 2wvb n HIS 105 Cb 0.06 -0.88 -0.06 0.00 -0.00 0.00 0.00 29.99 29.11 2wvb n HIS 105 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2wvb s ASN 106 N -5.61 6.57 0.15 4.39 0.02 -1.24 -1.03 114.94 118.19 2wvb s ASN 106 Ca -0.18 0.67 0.09 0.00 -1.02 0.00 0.00 52.86 52.42 2wvb s ASN 106 Cb 0.06 -2.21 -0.04 0.00 0.02 0.00 0.00 41.25 39.09 2wvb s ASN 106 CO 0.65 0.17 -0.15 -0.44 0.02 0.00 0.00 177.10 177.35 2wvb s SER 107 N -0.06 4.01 -0.13 -1.22 0.01 -0.26 -1.42 113.70 114.63 2wvb s SER 107 Ca 0.20 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 2wvb s SER 107 Cb -0.14 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 2wvb s SER 107 CO 0.07 0.14 -0.04 -0.22 0.41 0.00 0.00 173.24 173.61 2wvb s LEU 108 N -2.47 3.27 0.05 2.44 0.20 0.23 -1.54 118.68 120.86 2wvb s LEU 108 Ca 0.21 -0.09 0.07 0.00 0.69 0.00 0.00 54.13 55.02 2wvb s LEU 108 Cb -0.10 -1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 2wvb s LEU 108 CO 0.12 0.22 -0.20 -1.83 -0.29 0.00 0.00 176.35 174.37 2wvb s GLU 109 N 0.06 1.30 -0.17 1.98 -1.05 0.02 -0.87 118.70 119.98 2wvb s GLU 109 Ca -0.00 -0.94 -0.02 0.00 -0.15 0.00 0.00 54.97 53.85 2wvb s GLU 109 Cb -0.13 -1.42 -0.02 0.00 -0.44 0.00 0.00 34.13 32.12 2wvb s GLU 109 CO 0.03 0.36 -0.08 0.95 0.95 0.00 0.00 175.26 177.47 2wvb s THR 110 N -0.85 3.38 -0.24 1.83 -4.23 0.65 -1.51 115.64 114.68 2wvb s THR 110 Ca 0.07 -0.52 -0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2wvb s THR 110 Cb -0.09 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.31 2wvb s THR 110 CO 0.02 0.48 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.86 2wvb s ILE 111 N 0.71 2.57 -0.15 2.99 1.01 0.01 -1.26 121.20 127.07 2wvb s ILE 111 Ca -0.04 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.23 2wvb s ILE 111 Cb -0.15 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2wvb s ILE 111 CO 0.02 0.19 0.63 -0.63 0.00 0.00 0.00 174.94 175.15 2wvb s ILE 112 N 1.26 5.04 0.06 2.92 1.01 0.22 -1.08 121.20 130.63 2wvb s ILE 112 Ca -0.01 1.23 0.07 0.00 0.00 0.00 0.00 60.65 61.94 2wvb s ILE 112 Cb -0.17 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2wvb s ILE 112 CO -0.06 0.17 -0.20 -0.76 0.00 0.00 0.00 174.94 174.09 2wvb s LEU 113 N 1.48 2.20 0.00 2.97 1.43 -0.08 -0.30 118.68 126.38 2wvb s LEU 113 Ca 0.31 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2wvb s LEU 113 Cb -0.16 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 2wvb s LEU 113 CO 0.12 0.12 -0.09 -1.58 0.23 0.00 0.00 176.35 175.15 2wvb s GLN 114 N -1.36 0.68 0.00 1.70 0.74 -0.14 -1.55 119.66 119.73 2wvb s GLN 114 Ca 0.06 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.07 2wvb s GLN 114 Cb -0.09 -0.64 0.00 0.00 1.10 0.00 0.00 33.01 33.38 2wvb s GLN 114 CO 0.02 0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 2wvb n GLY 115 N 2.60 -1.12 3.93 2.59 0.00 -0.39 -0.36 105.19 112.44 2wvb n GLY 115 Ca -0.15 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.45 2wvb n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wvb s ASN 116 N -4.00 6.30 0.28 1.61 2.20 -1.24 -1.43 114.94 118.66 2wvb s ASN 116 Ca 0.00 0.57 -0.02 0.00 -0.94 0.00 0.00 52.86 52.47 2wvb s ASN 116 Cb 0.00 -2.09 0.42 0.00 -2.00 0.00 0.00 41.25 37.58 2wvb s ASN 116 CO 0.00 -0.35 1.93 0.77 -2.94 0.00 0.00 177.10 176.51 2wvb h SER 117 N 0.71 1.00 0.48 3.54 4.64 -1.84 -1.63 113.55 120.44 2wvb h SER 117 Ca -0.49 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2wvb h SER 117 Cb 1.21 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 2wvb h SER 117 CO 0.62 0.69 -0.38 -0.26 -0.87 0.00 0.00 176.83 176.62 2wvb h PHE 118 N 1.16 -1.04 -0.71 4.77 0.04 -1.89 -1.10 116.94 118.17 2wvb h PHE 118 Ca 0.36 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.19 2wvb h PHE 118 Cb 0.01 0.39 -0.06 0.00 2.20 0.00 0.00 35.95 38.49 2wvb h PHE 118 CO -0.00 -0.55 0.41 0.93 -0.60 0.00 0.00 178.31 178.49 2wvb h GLU 119 N -0.85 0.73 -0.14 1.51 5.08 -1.73 -1.21 114.58 117.96 2wvb h GLU 119 Ca -0.05 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2wvb h GLU 119 Cb 0.73 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wvb h GLU 119 CO -0.01 0.48 -0.05 0.82 -1.00 0.00 0.00 179.01 179.25 2wvb h ILE 120 N 0.75 1.30 -0.54 3.13 2.04 -1.25 -1.58 117.51 121.36 2wvb h ILE 120 Ca 0.31 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2wvb h ILE 120 Cb 0.18 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2wvb h ILE 120 CO -0.18 0.30 0.20 -0.61 0.00 0.00 0.00 178.15 177.86 2wvb h GLN 121 N -0.04 0.78 -0.34 2.37 5.75 -1.07 -2.09 115.11 120.48 2wvb h GLN 121 Ca 0.03 -0.12 -0.14 0.00 -0.15 0.00 0.00 58.65 58.26 2wvb h GLN 121 Cb 0.49 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2wvb h GLN 121 CO 0.02 0.66 -0.37 -0.09 -2.65 0.00 0.00 178.83 176.40 2wvb h ARG 122 N 0.77 0.79 -0.52 1.69 2.43 -1.14 -1.26 114.38 117.14 2wvb h ARG 122 Ca 0.18 -0.40 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2wvb h ARG 122 Cb 0.18 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2wvb h ARG 122 CO -0.01 1.03 0.27 1.25 -1.51 0.00 0.00 179.97 180.99 2wvb h LEU 123 N 0.65 0.40 -0.28 3.80 5.85 -0.90 0.78 115.31 125.61 2wvb h LEU 123 Ca 0.06 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wvb h LEU 123 Cb 0.92 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2wvb h LEU 123 CO 0.08 0.28 0.17 -0.61 -0.34 0.00 0.00 178.44 178.02 2wvb h GLN 124 N 0.53 0.37 -0.60 1.25 -0.00 -1.09 -1.33 115.11 114.24 2wvb h GLN 124 Ca 0.22 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 2wvb h GLN 124 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 2wvb h GLN 124 CO -0.15 0.29 0.32 -0.07 0.00 0.00 0.00 178.83 179.23 2wvb h LEU 125 N 0.35 0.76 -0.26 -2.39 3.38 -0.80 -0.63 115.31 115.72 2wvb h LEU 125 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2wvb h LEU 125 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2wvb h LEU 125 CO -0.02 0.64 -0.05 -0.33 0.09 0.00 0.00 178.44 178.77 2wvb h GLU 126 N 0.82 0.49 -0.64 1.13 5.08 -0.70 -2.72 114.58 118.04 2wvb h GLU 126 Ca 0.21 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2wvb h GLU 126 Cb 0.06 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2wvb h GLU 126 CO -0.03 0.70 0.16 0.82 -1.00 0.00 0.00 179.01 179.65 2wvb h ILE 127 N 0.24 1.26 0.00 3.13 2.04 -1.18 -2.57 117.51 120.42 2wvb h ILE 127 Ca 0.07 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2wvb h ILE 127 Cb 0.51 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2wvb h ILE 127 CO 0.02 0.35 0.00 1.23 0.00 0.00 0.00 178.15 179.76 2wvb h GLY 128 N 0.95 0.00 0.30 5.37 0.00 -1.01 -2.38 103.07 106.31 2wvb h GLY 128 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2wvb h GLY 128 CO 0.00 0.00 -0.34 0.61 0.00 0.00 0.00 176.54 176.81 2wvb n GLY 129 N -0.76 -0.70 3.75 4.60 0.00 -0.97 -4.91 105.19 106.19 2wvb n GLY 129 Ca -0.02 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2wvb n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wvb s LEU 130 N -2.61 4.62 0.23 0.99 1.43 -0.90 -5.00 118.68 117.44 2wvb s LEU 130 Ca 0.21 1.96 -0.31 0.00 -1.03 0.00 0.00 54.13 54.96 2wvb s LEU 130 Cb 0.19 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.69 2wvb s LEU 130 CO 0.57 0.10 1.63 -0.60 0.23 0.00 0.00 176.35 178.28 2wvb s ARG 131 N -1.05 4.15 0.00 1.70 3.00 -1.26 -1.91 118.95 123.57 2wvb s ARG 131 Ca 0.42 2.52 0.00 0.00 -1.00 0.00 0.00 55.73 57.68 2wvb s ARG 131 Cb -0.26 -3.08 0.00 0.00 0.00 0.00 0.00 34.95 31.61 2wvb s ARG 131 CO 0.33 -0.66 0.00 0.41 0.00 0.00 0.00 175.30 175.37 2wvb n GLY 132 N 3.28 0.45 3.59 8.12 0.00 -1.26 -4.96 105.19 114.40 2wvb n GLY 132 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2wvb n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wvb s VAL 133 N -2.15 4.99 -0.36 1.61 1.01 -0.80 -0.82 120.40 123.88 2wvb s VAL 133 Ca 0.00 0.69 0.23 0.00 0.00 0.00 0.00 61.98 62.89 2wvb s VAL 133 Cb 0.00 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 2wvb s VAL 133 CO 0.00 -0.11 1.00 0.29 0.00 0.00 0.00 175.10 176.28 2wvb n LYS 134 N 5.76 0.48 -3.64 2.72 4.01 0.83 -4.87 118.16 123.44 2wvb n LYS 134 Ca -0.03 0.04 -0.05 0.00 -0.51 0.00 0.00 58.31 57.76 2wvb n LYS 134 Cb 0.49 -1.70 -0.07 0.00 -0.51 0.00 0.00 35.03 33.24 2wvb n LYS 134 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2wvb s PHE 135 N -3.31 -0.73 -0.24 2.13 5.36 -1.13 -4.94 117.98 115.11 2wvb s PHE 135 Ca 0.00 1.50 -0.03 0.00 -0.96 0.00 0.00 56.93 57.44 2wvb s PHE 135 Cb 0.12 0.44 0.12 0.00 -0.34 0.00 0.00 43.02 43.36 2wvb s PHE 135 CO 0.80 -0.36 0.31 0.00 -1.46 0.00 0.00 175.22 174.51 2wvb s ALA 136 N 1.27 -0.69 -0.02 11.12 0.00 -1.25 -0.97 121.76 131.22 2wvb s ALA 136 Ca -0.08 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.33 2wvb s ALA 136 Cb -0.04 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2wvb s ALA 136 CO -0.15 -1.35 -0.08 0.21 0.00 0.00 0.00 175.76 174.39 2wvb s LYS 137 N 2.43 0.78 -0.15 0.00 2.20 -0.12 -4.90 119.74 119.98 2wvb s LYS 137 Ca 0.10 -0.27 -0.08 0.00 -0.36 0.00 0.00 55.97 55.36 2wvb s LYS 137 Cb -0.15 -0.74 -0.04 0.00 -1.51 0.00 0.00 37.83 35.38 2wvb s LYS 137 CO -0.18 0.12 0.13 -1.17 -0.36 0.00 0.00 175.35 173.89 2wvb s LEU 138 N 0.06 4.29 -0.29 5.43 2.96 -1.26 -0.77 118.68 129.11 2wvb s LEU 138 Ca -0.01 0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 54.18 2wvb s LEU 138 Cb -0.06 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2wvb s LEU 138 CO 0.00 0.33 0.15 -0.89 -1.32 0.00 0.00 176.35 174.62 2wvb s THR 139 N -0.53 4.77 0.01 3.68 2.01 0.14 -4.97 115.64 120.74 2wvb s THR 139 Ca 0.12 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 2wvb s THR 139 Cb -0.12 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2wvb s THR 139 CO 0.02 0.16 0.21 -0.54 -0.69 0.00 0.00 174.62 173.78 2wvb s LYS 140 N 1.66 3.47 0.08 4.92 1.02 -1.26 -1.34 119.74 128.29 2wvb s LYS 140 Ca 0.06 -0.29 0.06 0.00 0.02 0.00 0.00 55.97 55.82 2wvb s LYS 140 Cb -0.16 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 2wvb s LYS 140 CO 0.07 0.65 -0.16 0.00 -0.92 0.00 0.00 175.35 175.00 2wvb s ALA 141 N -1.36 1.35 0.05 5.17 0.00 -1.09 -5.01 121.76 120.86 2wvb s ALA 141 Ca 0.29 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.24 2wvb s ALA 141 Cb -0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2wvb s ALA 141 CO 0.20 0.21 -0.20 -1.12 0.00 0.00 0.00 175.76 174.85 2wvb s SER 142 N -1.83 2.41 0.56 0.00 0.01 -1.26 -4.39 113.70 109.20 2wvb s SER 142 Ca 0.01 -0.53 0.25 0.00 1.31 0.00 0.00 55.95 56.99 2wvb s SER 142 Cb -0.10 -0.19 1.56 0.00 0.21 0.00 0.00 66.02 67.51 2wvb s SER 142 CO 0.03 0.14 2.14 0.77 0.41 0.00 0.00 173.24 176.73 2wvb h SER 143 N 4.79 0.00 0.48 2.44 4.64 -1.98 0.96 113.55 124.88 2wvb h SER 143 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2wvb h SER 143 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2wvb h SER 143 CO 0.43 0.00 -0.02 2.19 -0.87 0.00 0.00 176.83 178.57 2wvb h PHE 144 N 0.00 0.00 0.00 4.77 -5.15 -1.96 0.40 116.94 115.00 2wvb h PHE 144 Ca 0.06 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.75 2wvb h PHE 144 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.47 2wvb h PHE 144 CO 0.00 0.02 -0.42 0.93 -2.00 0.00 0.00 178.31 176.83 2wvb h GLU 145 N 0.00 0.00 0.00 6.09 5.08 -1.23 -3.39 114.58 121.13 2wvb h GLU 145 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wvb h GLU 145 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2wvb h GLU 145 CO 0.00 0.42 0.00 2.48 -1.00 0.00 0.00 179.01 180.92 2wvb n TYR 146 N -3.37 0.00 1.20 4.33 0.18 -0.70 -5.08 117.16 113.72 2wvb n TYR 146 Ca 0.01 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.92 2wvb n TYR 146 Cb 0.61 0.00 0.27 0.00 -0.38 0.00 0.00 39.34 39.84 2wvb n TYR 146 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87