#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn s GLU 2 N 0.00 0.63 -0.11 2.12 -1.05 -1.26 -4.38 118.70 114.65 2wdn s GLU 2 Ca 0.00 0.74 -0.03 0.00 -0.15 0.00 0.00 54.97 55.54 2wdn s GLU 2 Cb 0.00 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2wdn s GLU 2 CO 0.00 -0.08 -0.00 0.00 0.95 0.00 0.00 175.26 176.13 2wdn s ALA 3 N 0.28 3.22 0.13 -0.84 0.00 -0.73 -4.95 121.76 118.87 2wdn s ALA 3 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.18 2wdn s ALA 3 Cb -0.04 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2wdn s ALA 3 CO 0.01 0.47 0.22 0.21 0.00 0.00 0.00 175.76 176.66 2wdn s LYS 4 N -0.49 3.28 0.00 0.00 2.20 -1.26 -0.63 119.74 122.83 2wdn s LYS 4 Ca 0.08 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2wdn s LYS 4 Cb -0.12 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2wdn s LYS 4 CO 0.02 0.54 0.00 0.00 -0.36 0.00 0.00 175.35 175.55 2wdn n ALA 5 N -0.22 0.00 0.00 3.13 0.00 0.22 -4.69 120.51 118.95 2wdn n ALA 5 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2wdn n ALA 5 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wdn n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wdn n ILE 6 N 0.00 0.00 -3.96 0.00 5.41 -1.23 -4.79 119.36 114.79 2wdn n ILE 6 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 2wdn n ILE 6 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 2wdn n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdn s ALA 7 N 0.00 2.41 0.85 -1.39 0.00 0.54 -4.98 121.76 119.19 2wdn s ALA 7 Ca 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.83 2wdn s ALA 7 Cb 0.00 -1.73 0.12 0.00 0.00 0.00 0.00 23.12 21.51 2wdn s ALA 7 CO 0.00 -1.49 1.21 1.03 0.00 0.00 0.00 175.76 176.51 2wdn s ARG 8 N 1.16 1.57 -1.46 0.00 0.52 -1.26 -2.03 118.95 117.44 2wdn s ARG 8 Ca 0.04 -0.09 -0.19 0.00 -0.52 0.00 0.00 55.73 54.97 2wdn s ARG 8 Cb -0.19 -1.94 0.19 0.00 0.52 0.00 0.00 34.95 33.53 2wdn s ARG 8 CO -0.10 -1.82 0.46 0.66 0.02 0.00 0.00 175.30 174.52 2wdn n TYR 9 N -3.42 -1.22 -0.07 -0.53 0.53 -1.19 -4.89 117.16 106.36 2wdn n TYR 9 Ca 0.10 0.53 -0.04 0.00 -1.02 0.00 0.00 57.90 57.48 2wdn n TYR 9 Cb 0.60 -1.60 -0.03 0.00 -1.03 0.00 0.00 39.34 37.28 2wdn n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2wdn h VAL 10 N -0.67 0.00 -0.61 -0.72 2.07 -1.17 -3.46 116.25 111.69 2wdn h VAL 10 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2wdn h VAL 10 Cb 1.24 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2wdn h VAL 10 CO 0.70 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 177.15 2wdn n ARG 11 N -3.56 0.00 -3.58 1.57 0.00 -1.26 -4.85 116.66 104.97 2wdn n ARG 11 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 2wdn n ARG 11 Cb 0.09 -0.39 -0.06 0.00 0.00 0.00 0.00 32.46 32.10 2wdn n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wdn s ILE 12 N -2.03 0.00 0.28 5.15 2.07 -1.23 -4.95 121.20 120.49 2wdn s ILE 12 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 2wdn s ILE 12 Cb 0.00 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.49 2wdn s ILE 12 CO 0.00 0.00 1.35 -0.55 -1.91 0.00 0.00 174.94 173.83 2wdn s SER 13 N -0.42 6.75 0.08 4.50 0.15 -1.26 -2.99 113.70 120.50 2wdn s SER 13 Ca -0.04 2.64 -0.32 0.00 0.70 0.00 0.00 55.95 58.93 2wdn s SER 13 Cb -0.03 -2.63 -0.17 0.00 -1.71 0.00 0.00 66.02 61.48 2wdn s SER 13 CO 0.04 -0.59 1.63 -0.65 1.20 0.00 0.00 173.24 174.86 2wdn h PRO 14 N 4.28 -0.77 -1.50 5.44 0.11 -1.92 -2.20 132.00 135.43 2wdn h PRO 14 Ca -0.47 0.05 0.47 0.00 0.11 0.00 0.00 66.00 66.16 2wdn h PRO 14 Cb 1.22 0.18 -0.11 0.00 0.11 0.00 0.00 31.00 32.40 2wdn h PRO 14 CO 0.72 -0.52 1.02 -0.09 -0.21 0.00 0.00 178.00 178.92 2wdn h ARG 15 N -0.80 0.05 0.10 1.05 2.43 -1.94 -0.94 114.38 114.33 2wdn h ARG 15 Ca -0.06 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wdn h ARG 15 Cb 0.65 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2wdn h ARG 15 CO 0.07 0.03 -0.05 0.87 -1.51 0.00 0.00 179.97 179.39 2wdn h LYS 16 N 0.05 -0.13 -0.51 0.20 1.79 -1.78 -3.34 116.57 112.85 2wdn h LYS 16 Ca 0.83 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 59.45 2wdn h LYS 16 Cb 2.90 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 33.55 2wdn h LYS 16 CO -0.27 -0.09 0.36 -0.39 -1.08 0.00 0.00 179.45 177.99 2wdn h VAL 17 N -0.20 0.77 -0.98 0.50 -1.51 -1.08 -2.04 116.25 111.71 2wdn h VAL 17 Ca -0.01 -0.02 0.18 0.00 -1.23 0.00 0.00 66.70 65.61 2wdn h VAL 17 Cb 0.10 0.70 -0.10 0.00 -2.13 0.00 0.00 31.29 29.86 2wdn h VAL 17 CO 0.02 0.01 0.59 0.03 -1.23 0.00 0.00 177.57 176.99 2wdn h ARG 18 N 0.06 0.74 0.00 5.19 3.08 -1.42 0.38 114.38 122.42 2wdn h ARG 18 Ca 0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2wdn h ARG 18 Cb 0.89 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2wdn h ARG 18 CO -0.02 0.49 0.07 -0.07 -1.07 0.00 0.00 179.97 179.38 2wdn h LEU 19 N 0.76 0.00 0.00 3.04 4.07 -1.51 0.50 115.31 122.18 2wdn h LEU 19 Ca 0.56 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 58.09 2wdn h LEU 19 Cb 0.83 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.51 2wdn h LEU 19 CO -0.37 0.00 -2.50 0.52 -1.08 0.00 0.00 178.44 175.00 2wdn n VAL 20 N -2.50 1.49 0.03 1.22 0.31 0.12 -3.85 118.33 115.15 2wdn n VAL 20 Ca -0.02 -0.47 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 2wdn n VAL 20 Cb 0.12 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 2wdn n VAL 20 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2wdn h VAL 21 N -0.50 0.79 -0.14 2.52 2.07 -0.30 0.23 116.25 120.91 2wdn h VAL 21 Ca -0.64 0.00 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2wdn h VAL 21 Cb 1.75 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2wdn h VAL 21 CO -0.26 0.00 0.32 0.44 0.02 0.00 0.00 177.57 178.09 2wdn h ASP 22 N -0.12 0.00 1.30 0.57 3.45 -0.23 -0.01 116.42 121.37 2wdn h ASP 22 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2wdn h ASP 22 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 2wdn h ASP 22 CO -0.11 0.00 0.00 -0.11 -1.57 0.00 0.00 179.24 177.45 2wdn n LEU 23 N -3.28 0.57 0.00 1.55 7.94 0.79 -3.85 117.00 120.72 2wdn n LEU 23 Ca 0.01 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 2wdn n LEU 23 Cb 0.41 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.98 2wdn n LEU 23 CO 0.20 -0.15 0.22 2.30 -1.11 0.00 0.00 177.39 178.85 2wdn n ILE 24 N -2.04 0.17 -1.95 1.96 -5.35 -0.07 -4.98 119.36 107.11 2wdn n ILE 24 Ca 0.06 -0.37 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 2wdn n ILE 24 Cb 0.39 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.48 2wdn n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wdn s ARG 25 N -0.17 4.22 0.00 6.28 3.52 -0.90 -2.35 118.95 129.55 2wdn s ARG 25 Ca 0.00 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 2wdn s ARG 25 Cb 0.00 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 2wdn s ARG 25 CO 0.00 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.36 2wdn n GLY 26 N 3.03 2.82 3.88 8.12 0.00 -0.67 -5.03 105.19 117.35 2wdn n GLY 26 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2wdn n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdn s LYS 27 N -0.23 3.33 0.22 1.61 1.02 -0.99 -4.64 119.74 120.06 2wdn s LYS 27 Ca 0.00 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.20 2wdn s LYS 27 Cb 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 2wdn s LYS 27 CO 0.00 -0.65 1.16 -1.54 -0.92 0.00 0.00 175.35 173.40 2wdn s SER 28 N -4.23 7.15 0.28 2.83 1.04 -1.26 -0.60 113.70 118.91 2wdn s SER 28 Ca 0.54 2.26 -0.01 0.00 0.48 0.00 0.00 55.95 59.22 2wdn s SER 28 Cb -0.11 -2.62 0.64 0.00 0.10 0.00 0.00 66.02 64.03 2wdn s SER 28 CO 0.51 -0.29 1.62 0.25 0.98 0.00 0.00 173.24 176.31 2wdn h LEU 29 N 4.65 -0.25 -0.60 2.42 5.85 -1.82 0.75 115.31 126.31 2wdn h LEU 29 Ca -0.45 0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.56 2wdn h LEU 29 Cb 1.21 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 42.54 2wdn h LEU 29 CO 0.71 -0.22 0.29 -0.08 -0.34 0.00 0.00 178.44 178.80 2wdn h GLU 30 N 0.11 0.52 0.05 1.25 4.22 -1.87 -2.60 114.58 116.26 2wdn h GLU 30 Ca 0.52 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.93 2wdn h GLU 30 Cb 1.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2wdn h GLU 30 CO -0.74 0.34 -0.02 1.49 -2.18 0.00 0.00 179.01 177.90 2wdn h GLU 31 N 0.53 -0.06 -0.96 1.92 4.81 -0.15 -3.31 114.58 117.36 2wdn h GLU 31 Ca 0.28 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.83 2wdn h GLU 31 Cb 0.25 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 29.48 2wdn h GLU 31 CO -0.22 0.57 0.37 0.00 -0.73 0.00 0.00 179.01 179.00 2wdn h ALA 32 N -0.08 1.66 -0.31 2.92 0.00 0.04 0.35 119.26 123.84 2wdn h ALA 32 Ca -0.01 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2wdn h ALA 32 Cb 0.66 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2wdn h ALA 32 CO 0.01 -0.63 0.16 0.00 0.00 0.00 0.00 179.25 178.79 2wdn h ARG 33 N 0.16 0.32 -0.57 0.00 3.08 -1.55 -1.71 114.38 114.11 2wdn h ARG 33 Ca 0.68 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.71 2wdn h ARG 33 Cb 1.56 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.51 2wdn h ARG 33 CO -0.71 0.21 0.35 -0.91 -1.07 0.00 0.00 179.97 177.84 2wdn h ASN 34 N 0.33 0.67 0.51 7.04 -0.26 -0.42 0.10 115.58 123.56 2wdn h ASN 34 Ca 0.13 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.81 2wdn h ASN 34 Cb 0.04 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2wdn h ASN 34 CO -0.08 0.51 -0.24 0.40 -1.06 0.00 0.00 177.43 176.96 2wdn h ILE 35 N 0.78 0.00 -0.84 2.81 2.04 -0.65 -2.83 117.51 118.83 2wdn h ILE 35 Ca 0.21 -0.20 0.18 0.00 1.00 0.00 0.00 64.86 66.05 2wdn h ILE 35 Cb -0.04 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.93 2wdn h ILE 35 CO -0.04 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.40 2wdn h LEU 36 N -0.88 0.34 -1.21 1.44 3.38 -1.29 0.13 115.31 117.21 2wdn h LEU 36 Ca -0.07 0.13 0.34 0.00 0.09 0.00 0.00 57.88 58.37 2wdn h LEU 36 Cb 0.52 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.24 2wdn h LEU 36 CO 0.11 0.07 0.68 -0.09 0.09 0.00 0.00 178.44 179.30 2wdn h ARG 37 N 0.45 0.27 0.00 1.13 9.65 -0.70 -2.34 114.38 122.84 2wdn h ARG 37 Ca 0.49 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.35 2wdn h ARG 37 Cb 0.83 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 2wdn h ARG 37 CO -0.46 0.18 -0.02 0.66 2.80 0.00 0.00 179.97 183.12 2wdn n TYR 38 N -4.84 0.00 -3.10 2.20 4.01 0.27 -5.00 117.16 110.69 2wdn n TYR 38 Ca 0.32 -0.66 -0.40 0.00 -0.16 0.00 0.00 57.90 57.00 2wdn n TYR 38 Cb 1.09 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.97 2wdn n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wdn s THR 39 N -1.68 5.00 -1.27 -0.72 2.01 -0.19 -4.99 115.64 113.80 2wdn s THR 39 Ca 0.13 1.20 -0.18 0.00 0.31 0.00 0.00 61.69 63.15 2wdn s THR 39 Cb 0.12 -3.95 0.08 0.00 0.01 0.00 0.00 72.50 68.76 2wdn s THR 39 CO 0.01 0.08 1.68 0.21 -0.69 0.00 0.00 174.62 175.91 2wdn s ASN 40 N 1.28 6.85 -0.23 3.53 3.84 -1.26 -4.80 114.94 124.14 2wdn s ASN 40 Ca 0.28 -2.46 -0.18 0.00 0.21 0.00 0.00 52.86 50.72 2wdn s ASN 40 Cb -0.16 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.06 2wdn s ASN 40 CO 0.10 -1.13 0.60 -0.54 -2.79 0.00 0.00 177.10 173.34 2wdn s LYS 41 N 3.89 0.66 0.38 0.43 -0.14 -1.26 -5.03 119.74 118.67 2wdn s LYS 41 Ca 0.52 0.96 0.13 0.00 -1.36 0.00 0.00 55.97 56.22 2wdn s LYS 41 Cb 0.03 0.22 0.96 0.00 -1.68 0.00 0.00 37.83 37.36 2wdn s LYS 41 CO 0.06 -0.12 1.83 -0.09 -0.76 0.00 0.00 175.35 176.27 2wdn h ARG 42 N 6.07 0.53 -0.55 1.68 2.43 -2.00 -1.84 114.38 120.69 2wdn h ARG 42 Ca -0.30 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.92 2wdn h ARG 42 Cb 1.19 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.55 2wdn h ARG 42 CO 0.16 0.35 0.17 0.78 -1.51 0.00 0.00 179.97 179.92 2wdn h GLY 43 N 0.54 0.73 -0.85 2.80 0.00 -1.94 -2.99 103.07 101.36 2wdn h GLY 43 Ca 0.51 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.85 2wdn h GLY 43 CO -0.24 -0.04 -0.45 0.00 0.00 0.00 0.00 176.54 175.81 2wdn n ALA 44 N -2.49 -0.41 -0.32 3.60 0.00 -0.69 -0.55 120.51 119.65 2wdn n ALA 44 Ca 0.07 0.77 0.12 0.00 0.00 0.00 0.00 53.44 54.40 2wdn n ALA 44 Cb 0.26 -0.20 0.26 0.00 0.00 0.00 0.00 19.45 19.76 2wdn n ALA 44 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2wdn h TYR 45 N 0.00 -0.01 -0.04 0.00 3.20 -1.69 0.78 116.97 119.21 2wdn h TYR 45 Ca 0.19 0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 2wdn h TYR 45 Cb 0.40 0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.83 2wdn h TYR 45 CO -0.84 -0.36 -0.33 0.74 -1.64 0.00 0.00 178.16 175.72 2wdn h PHE 46 N 0.05 0.42 -0.95 -3.82 0.04 -0.97 -1.74 116.94 109.98 2wdn h PHE 46 Ca 0.55 -0.20 0.06 0.00 2.80 0.00 0.00 57.97 61.18 2wdn h PHE 46 Cb 1.09 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 39.12 2wdn h PHE 46 CO -0.46 0.96 0.61 0.28 -0.60 0.00 0.00 178.31 179.10 2wdn h VAL 47 N -0.23 1.09 0.09 -0.55 2.07 0.11 -1.54 116.25 117.29 2wdn h VAL 47 Ca -0.03 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 2wdn h VAL 47 Cb 1.01 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2wdn h VAL 47 CO 0.07 0.20 -0.05 0.00 0.02 0.00 0.00 177.57 177.81 2wdn h ALA 48 N 1.48 -0.96 -0.31 1.67 0.00 0.52 -1.73 119.26 119.93 2wdn h ALA 48 Ca 0.40 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2wdn h ALA 48 Cb 0.15 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2wdn h ALA 48 CO -0.15 -0.95 -0.18 1.63 0.00 0.00 0.00 179.25 179.60 2wdn n LYS 49 N -2.44 -0.13 -0.17 0.00 4.76 -0.66 0.17 118.16 119.69 2wdn n LYS 49 Ca -0.02 0.67 -0.05 0.00 -2.87 0.00 0.00 58.31 56.04 2wdn n LYS 49 Cb 0.05 -0.99 0.04 0.00 -1.84 0.00 0.00 35.03 32.29 2wdn n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2wdn h VAL 50 N 0.00 1.02 -0.53 -0.18 3.04 -1.31 -1.80 116.25 116.49 2wdn h VAL 50 Ca 0.05 -0.20 -0.09 0.00 -1.01 0.00 0.00 66.70 65.45 2wdn h VAL 50 Cb 0.13 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 29.78 2wdn h VAL 50 CO -0.29 0.10 -0.01 0.25 -1.01 0.00 0.00 177.57 176.61 2wdn h LEU 51 N 0.58 0.92 -1.91 3.16 7.12 0.17 0.58 115.31 125.93 2wdn h LEU 51 Ca 0.21 -0.31 0.00 0.00 0.13 0.00 0.00 57.88 57.91 2wdn h LEU 51 Cb 0.06 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 39.94 2wdn h LEU 51 CO -0.11 1.01 0.00 -0.08 -0.13 0.00 0.00 178.44 179.13 2wdn h GLU 52 N 0.81 0.00 0.01 1.25 4.57 0.01 0.41 114.58 121.64 2wdn h GLU 52 Ca 0.15 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.98 2wdn h GLU 52 Cb 0.55 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 2wdn h GLU 52 CO 0.03 0.00 -2.18 0.45 -1.18 0.00 0.00 179.01 176.13 2wdn n SER 53 N -2.83 0.58 -0.27 1.04 2.88 -0.70 -3.15 113.62 111.17 2wdn n SER 53 Ca -0.01 0.12 -0.05 0.00 -1.33 0.00 0.00 58.87 57.60 2wdn n SER 53 Cb 0.16 0.44 0.09 0.00 -0.75 0.00 0.00 64.21 64.16 2wdn n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdn h ALA 54 N 0.84 1.08 0.48 -1.46 0.00 0.10 -2.43 119.26 117.87 2wdn h ALA 54 Ca -0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2wdn h ALA 54 Cb 2.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 2wdn h ALA 54 CO 0.03 0.65 -0.43 0.00 0.00 0.00 0.00 179.25 179.51 2wdn h ALA 55 N 1.20 -0.97 -0.84 0.00 0.00 -1.08 -0.39 119.26 117.19 2wdn h ALA 55 Ca 0.25 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.18 2wdn h ALA 55 Cb 0.23 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.46 2wdn h ALA 55 CO -0.02 -1.08 -0.10 0.00 0.00 0.00 0.00 179.25 178.05 2wdn h ALA 56 N -0.61 0.73 0.09 0.00 0.00 -1.43 0.06 119.26 118.09 2wdn h ALA 56 Ca -0.05 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2wdn h ALA 56 Cb 0.79 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2wdn h ALA 56 CO -0.04 -0.44 -0.04 -0.91 0.00 0.00 0.00 179.25 177.83 2wdn h ASN 57 N 0.03 -0.10 -0.99 0.00 -0.26 -1.01 0.19 115.58 113.45 2wdn h ASN 57 Ca 0.44 -0.16 0.25 0.00 -0.56 0.00 0.00 56.30 56.27 2wdn h ASN 57 Cb 0.75 0.03 -0.18 0.00 -1.06 0.00 0.00 38.32 37.85 2wdn h ASN 57 CO -0.81 0.11 -0.04 0.00 -1.06 0.00 0.00 177.43 175.62 2wdn h ALA 58 N 0.59 1.03 -3.00 -0.83 0.00 0.73 0.25 119.26 118.03 2wdn h ALA 58 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wdn h ALA 58 Cb 0.26 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wdn h ALA 58 CO 0.02 -0.52 0.00 0.28 0.00 0.00 0.00 179.25 179.03 2wdn n VAL 59 N -5.52 0.00 -0.39 0.00 0.31 -0.82 -2.41 118.33 109.50 2wdn n VAL 59 Ca 0.21 0.09 0.34 0.00 -0.01 0.00 0.00 64.34 64.97 2wdn n VAL 59 Cb 0.69 -0.18 0.57 0.00 -0.91 0.00 0.00 33.84 34.01 2wdn n VAL 59 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wdn n ASN 60 N -0.42 0.19 -0.00 4.52 2.85 0.63 -0.34 115.26 122.69 2wdn n ASN 60 Ca 0.00 1.20 0.03 0.00 -0.11 0.00 0.00 54.58 55.70 2wdn n ASN 60 Cb 0.00 -0.59 -0.04 0.00 1.24 0.00 0.00 39.78 40.39 2wdn n ASN 60 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2wdn n ASN 61 N -4.45 1.61 -0.39 1.20 5.03 0.84 -4.73 115.26 114.37 2wdn n ASN 61 Ca 0.34 -0.38 0.01 0.00 0.87 0.00 0.00 54.58 55.42 2wdn n ASN 61 Cb 1.31 1.10 0.02 0.00 -1.02 0.00 0.00 39.78 41.19 2wdn n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wdn n HIS 62 N -1.35 0.00 -1.11 3.10 8.25 -1.01 -5.02 115.22 118.08 2wdn n HIS 62 Ca 0.00 -0.14 -0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2wdn n HIS 62 Cb 0.11 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2wdn n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wdn n ASP 63 N -0.20 -1.44 0.00 0.41 5.75 0.53 -4.87 116.55 116.73 2wdn n ASP 63 Ca 0.02 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 2wdn n ASP 63 Cb 0.67 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 2wdn n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wdn n MET 64 N 0.65 3.17 -0.77 0.11 2.81 -1.09 -4.98 117.12 117.02 2wdn n MET 64 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2wdn n MET 64 Cb 0.11 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 2wdn n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wdn n LEU 65 N -1.92 -1.97 -0.16 4.03 0.00 -1.26 -4.59 117.00 111.13 2wdn n LEU 65 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.12 2wdn n LEU 65 Cb 0.45 -0.98 0.21 0.00 0.00 0.00 0.00 43.42 43.10 2wdn n LEU 65 CO 0.00 0.00 0.45 1.21 0.00 0.00 0.00 177.39 179.05 2wdn n GLU 66 N 0.05 -0.03 0.04 1.96 2.13 -1.26 -1.62 120.64 121.90 2wdn n GLU 66 Ca 0.00 0.71 -0.10 0.00 0.66 0.00 0.00 57.16 58.43 2wdn n GLU 66 Cb 0.00 -1.19 -0.04 0.00 0.27 0.00 0.00 31.44 30.48 2wdn n GLU 66 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2wdn h ASP 67 N 0.00 -0.51 0.58 4.31 3.32 -2.02 -2.78 116.42 119.31 2wdn h ASP 67 Ca 0.35 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.41 2wdn h ASP 67 Cb 0.84 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2wdn h ASP 67 CO -0.42 -0.23 -0.35 0.03 -1.72 0.00 0.00 179.24 176.54 2wdn h ARG 68 N -0.26 0.00 -6.62 3.56 2.47 -1.55 -3.47 114.38 108.51 2wdn h ARG 68 Ca 0.07 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.20 2wdn h ARG 68 Cb 0.35 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.82 2wdn h ARG 68 CO -0.19 0.35 -0.01 1.28 0.56 0.00 0.00 179.97 181.96 2wdn n LEU 69 N -3.77 2.19 -3.55 3.04 4.77 -1.05 0.71 117.00 119.34 2wdn n LEU 69 Ca -0.01 0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 56.80 2wdn n LEU 69 Cb 0.44 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 2wdn n LEU 69 CO 0.37 -2.01 0.76 -0.72 -1.33 0.00 0.00 177.39 174.47 2wdn s TYR 70 N -1.42 -0.33 -1.05 -1.77 -0.85 -0.51 -2.65 117.35 108.77 2wdn s TYR 70 Ca 0.67 0.39 -0.25 0.00 -0.52 0.00 0.00 57.07 57.35 2wdn s TYR 70 Cb -0.52 0.50 -0.15 0.00 0.38 0.00 0.00 41.96 42.17 2wdn s TYR 70 CO 0.54 -0.41 2.09 0.08 -1.52 0.00 0.00 175.55 176.33 2wdn s VAL 71 N -2.13 3.23 0.17 -3.49 1.01 0.23 -1.36 120.40 118.06 2wdn s VAL 71 Ca 0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.42 2wdn s VAL 71 Cb -0.01 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.39 2wdn s VAL 71 CO -0.04 -0.43 1.58 0.50 0.00 0.00 0.00 175.10 176.71 2wdn h LYS 72 N 11.16 -0.22 -3.04 2.72 1.63 -1.14 -1.78 116.57 125.90 2wdn h LYS 72 Ca 0.08 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 2wdn h LYS 72 Cb 0.98 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.59 2wdn h LYS 72 CO 1.10 -0.15 0.20 0.00 -3.45 0.00 0.00 179.45 177.15 2wdn s ALA 73 N -5.91 -1.25 -0.21 5.00 0.00 -0.94 -4.56 121.76 113.88 2wdn s ALA 73 Ca -0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.37 2wdn s ALA 73 Cb 0.14 0.87 0.14 0.00 0.00 0.00 0.00 23.12 24.27 2wdn s ALA 73 CO 0.67 -0.97 1.11 0.00 0.00 0.00 0.00 175.76 176.57 2wdn s ALA 74 N -3.89 -2.00 0.18 0.00 0.00 -1.26 -0.11 121.76 114.68 2wdn s ALA 74 Ca 0.09 1.70 -0.23 0.00 0.00 0.00 0.00 51.96 53.52 2wdn s ALA 74 Cb -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 23.12 22.06 2wdn s ALA 74 CO 0.03 -0.27 0.76 1.52 0.00 0.00 0.00 175.76 177.80 2wdn s TYR 75 N -0.78 -0.29 -0.24 0.00 -0.85 -0.50 -4.93 117.35 109.76 2wdn s TYR 75 Ca 0.02 -0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 56.54 2wdn s TYR 75 Cb -0.02 0.63 0.07 0.00 0.38 0.00 0.00 41.96 43.02 2wdn s TYR 75 CO -0.03 -0.95 -0.01 0.54 -1.52 0.00 0.00 175.55 173.58 2wdn s VAL 76 N -3.63 1.23 0.36 -3.49 0.11 -1.26 -0.87 120.40 112.85 2wdn s VAL 76 Ca 0.08 -1.12 -0.15 0.00 -2.93 0.00 0.00 61.98 57.85 2wdn s VAL 76 Cb -0.03 -1.63 -0.09 0.00 -1.53 0.00 0.00 36.38 33.11 2wdn s VAL 76 CO -0.02 -0.22 0.78 -1.81 -3.33 0.00 0.00 175.10 170.50 2wdn s ASP 77 N 1.52 6.75 0.03 3.54 1.01 -1.03 -4.82 116.67 123.67 2wdn s ASP 77 Ca -0.02 1.32 -0.26 0.00 0.71 0.00 0.00 52.55 54.30 2wdn s ASP 77 Cb -0.18 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 2wdn s ASP 77 CO -0.09 -0.27 0.82 -0.70 0.21 0.00 0.00 175.17 175.14 2wdn s GLU 78 N -3.19 4.53 0.49 8.23 2.12 -1.26 -0.30 118.70 129.32 2wdn s GLU 78 Ca 0.55 1.15 0.06 0.00 0.36 0.00 0.00 54.97 57.08 2wdn s GLU 78 Cb -0.10 -3.39 0.03 0.00 0.26 0.00 0.00 34.13 30.93 2wdn s GLU 78 CO 0.20 0.18 0.68 0.20 -0.54 0.00 0.00 175.26 175.98 2wdn s GLY 79 N 0.27 1.88 0.22 -1.50 0.00 -0.48 -4.88 107.32 102.83 2wdn s GLY 79 Ca 0.42 -1.62 -0.31 0.00 0.00 0.00 0.00 44.72 43.21 2wdn s GLY 79 CO 0.24 -1.35 1.50 2.56 0.00 0.00 0.00 173.10 176.04 2wdn s PRO 80 N -4.56 4.24 0.25 2.90 0.04 -1.26 -4.27 135.00 132.34 2wdn s PRO 80 Ca 0.57 2.34 -0.10 0.00 0.04 0.00 0.00 61.00 63.85 2wdn s PRO 80 Cb -0.09 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.25 2wdn s PRO 80 CO 0.36 -0.51 0.58 0.00 0.04 0.00 0.00 177.00 177.47 2wdn s ALA 81 N 0.44 3.54 0.01 8.56 0.00 -1.26 -4.57 121.76 128.48 2wdn s ALA 81 Ca 0.64 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 2wdn s ALA 81 Cb -0.43 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.17 2wdn s ALA 81 CO 0.39 0.45 0.67 -0.51 0.00 0.00 0.00 175.76 176.76 2wdn s LEU 82 N -2.95 4.43 -0.50 0.00 1.02 -0.19 -4.92 118.68 115.56 2wdn s LEU 82 Ca 0.48 1.28 -0.13 0.00 0.02 0.00 0.00 54.13 55.79 2wdn s LEU 82 Cb -0.11 -3.06 0.12 0.00 0.02 0.00 0.00 46.19 43.16 2wdn s LEU 82 CO 0.22 0.06 0.42 -0.54 0.02 0.00 0.00 176.35 176.53 2wdn s LYS 83 N -0.10 2.74 0.51 1.70 1.02 -1.26 -0.83 119.74 123.52 2wdn s LYS 83 Ca 0.34 -1.72 -0.01 0.00 0.02 0.00 0.00 55.97 54.60 2wdn s LYS 83 Cb -0.19 -4.11 0.01 0.00 -0.52 0.00 0.00 37.83 33.01 2wdn s LYS 83 CO 0.20 -1.25 0.76 1.03 -0.92 0.00 0.00 175.35 175.16 2wdn s ARG 84 N 1.49 2.92 -0.29 1.68 1.81 -0.56 -4.93 118.95 121.06 2wdn s ARG 84 Ca 0.04 -0.41 -0.00 0.00 -1.72 0.00 0.00 55.73 53.64 2wdn s ARG 84 Cb -0.28 -2.46 0.06 0.00 -0.45 0.00 0.00 34.95 31.81 2wdn s ARG 84 CO 0.01 -0.48 -0.02 0.08 -0.68 0.00 0.00 175.30 174.21 2wdn s VAL 85 N -2.72 2.77 -0.27 3.52 1.01 -1.26 -0.98 120.40 122.47 2wdn s VAL 85 Ca 0.52 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 2wdn s VAL 85 Cb -0.10 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2wdn s VAL 85 CO 0.40 -0.12 0.27 -0.22 0.00 0.00 0.00 175.10 175.43 2wdn s LEU 86 N 1.20 4.04 0.56 3.92 2.96 0.15 -4.93 118.68 126.58 2wdn s LEU 86 Ca -0.05 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 2wdn s LEU 86 Cb -0.20 -2.26 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 2wdn s LEU 86 CO -0.02 -0.10 1.02 -2.16 -1.32 0.00 0.00 176.35 173.77 2wdn s PRO 87 N 1.83 3.62 0.33 0.98 0.04 -1.26 0.98 135.00 141.52 2wdn s PRO 87 Ca 0.11 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.23 2wdn s PRO 87 Cb -0.16 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2wdn s PRO 87 CO 0.10 -0.55 0.20 1.03 0.04 0.00 0.00 177.00 177.82 2wdn s ARG 88 N -4.22 1.71 0.40 4.56 1.81 -1.26 -4.73 118.95 117.22 2wdn s ARG 88 Ca 0.60 -2.00 -0.27 0.00 -1.72 0.00 0.00 55.73 52.35 2wdn s ARG 88 Cb -0.13 -0.00 -0.10 0.00 -0.45 0.00 0.00 34.95 34.27 2wdn s ARG 88 CO 0.37 -0.54 1.44 0.00 -0.68 0.00 0.00 175.30 175.89 2wdn n ALA 89 N -0.65 2.11 -2.07 2.13 0.00 -1.26 -2.24 120.51 118.53 2wdn n ALA 89 Ca 0.02 0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 2wdn n ALA 89 Cb 0.64 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 2wdn n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdn n ARG 90 N 0.24 -1.04 -3.49 0.00 1.74 -1.26 -2.97 116.66 109.88 2wdn n ARG 90 Ca 0.03 0.72 -0.19 0.00 -0.77 0.00 0.00 57.85 57.64 2wdn n ARG 90 Cb 0.39 -4.93 0.09 0.00 -1.02 0.00 0.00 32.46 26.99 2wdn n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdn n GLY 91 N -1.08 -0.41 0.08 -0.13 0.00 -0.95 -4.95 105.19 97.75 2wdn n GLY 91 Ca -0.15 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2wdn n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wdn h ARG 92 N -2.13 0.10 -5.13 1.61 2.43 -1.40 -3.47 114.38 106.39 2wdn h ARG 92 Ca -0.58 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 2wdn h ARG 92 Cb 1.35 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.85 2wdn h ARG 92 CO 0.52 0.79 -1.29 0.00 -1.51 0.00 0.00 179.97 178.47 2wdn n ALA 93 N -2.48 -3.52 -2.36 2.80 0.00 -1.26 -4.82 120.51 108.86 2wdn n ALA 93 Ca -0.09 1.48 -0.21 0.00 0.00 0.00 0.00 53.44 54.62 2wdn n ALA 93 Cb 0.41 -2.93 -0.04 0.00 0.00 0.00 0.00 19.45 16.89 2wdn n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdn s ASP 94 N -1.10 5.12 -0.14 0.00 -0.00 0.27 -4.93 116.67 115.90 2wdn s ASP 94 Ca -0.15 -0.64 0.00 0.00 -0.00 0.00 0.00 52.55 51.76 2wdn s ASP 94 Cb 0.01 -0.75 -0.01 0.00 -0.00 0.00 0.00 42.92 42.17 2wdn s ASP 94 CO 0.76 -0.50 -0.14 0.27 -0.00 0.00 0.00 175.17 175.56 2wdn s ILE 95 N -2.40 2.86 -0.15 0.77 -4.36 -1.26 0.30 121.20 116.95 2wdn s ILE 95 Ca 0.44 -0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 60.01 2wdn s ILE 95 Cb -0.04 -2.20 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 2wdn s ILE 95 CO 0.27 0.52 0.20 -0.51 0.24 0.00 0.00 174.94 175.65 2wdn s ILE 96 N 0.61 5.38 -0.46 8.37 1.10 -0.15 -4.89 121.20 131.16 2wdn s ILE 96 Ca -0.08 0.35 -0.17 0.00 -0.51 0.00 0.00 60.65 60.23 2wdn s ILE 96 Cb -0.16 -3.52 0.04 0.00 0.15 0.00 0.00 42.46 38.98 2wdn s ILE 96 CO 0.03 0.48 0.49 -0.54 -2.11 0.00 0.00 174.94 173.29 2wdn s LYS 97 N -0.09 3.08 -0.81 3.50 1.02 -1.26 -1.49 119.74 123.69 2wdn s LYS 97 Ca 0.13 -0.92 -0.25 0.00 0.02 0.00 0.00 55.97 54.95 2wdn s LYS 97 Cb -0.12 -4.04 0.04 0.00 -0.52 0.00 0.00 37.83 33.19 2wdn s LYS 97 CO 0.02 -1.00 1.29 0.15 -0.92 0.00 0.00 175.35 174.89 2wdn s LYS 98 N 2.18 3.29 1.10 1.68 -0.14 -0.01 -4.94 119.74 122.90 2wdn s LYS 98 Ca 0.11 -0.55 -0.17 0.00 -1.36 0.00 0.00 55.97 54.01 2wdn s LYS 98 Cb -0.19 -4.49 0.24 0.00 -1.68 0.00 0.00 37.83 31.71 2wdn s LYS 98 CO 0.12 -2.12 1.14 1.03 -0.76 0.00 0.00 175.35 174.75 2wdn s ARG 99 N 5.32 -0.38 0.05 1.68 0.52 -1.26 -1.03 118.95 123.84 2wdn s ARG 99 Ca 0.36 0.04 -0.14 0.00 -0.52 0.00 0.00 55.73 55.47 2wdn s ARG 99 Cb -0.07 -1.69 0.02 0.00 0.52 0.00 0.00 34.95 33.74 2wdn s ARG 99 CO 0.08 -3.17 0.32 -0.08 0.02 0.00 0.00 175.30 172.47 2wdn s THR 100 N -3.15 0.08 0.40 0.02 -1.32 -1.24 -3.55 115.64 106.87 2wdn s THR 100 Ca 0.69 -0.65 0.06 0.00 -1.21 0.00 0.00 61.69 60.58 2wdn s THR 100 Cb -0.11 -0.95 -0.07 0.00 -1.51 0.00 0.00 72.50 69.86 2wdn s THR 100 CO 0.56 -0.36 0.02 -0.44 -2.21 0.00 0.00 174.62 172.19 2wdn s SER 101 N -2.07 3.54 -0.45 8.08 0.01 -1.16 -1.38 113.70 120.26 2wdn s SER 101 Ca -0.05 -1.40 0.05 0.00 1.31 0.00 0.00 55.95 55.86 2wdn s SER 101 Cb -0.01 -0.24 0.20 0.00 0.21 0.00 0.00 66.02 66.18 2wdn s SER 101 CO -0.03 -0.53 0.43 1.41 0.41 0.00 0.00 173.24 174.93 2wdn n HIS 102 N -0.93 -0.04 -2.12 2.43 8.25 0.58 -0.81 115.22 122.59 2wdn n HIS 102 Ca -0.06 -3.54 -0.43 0.00 -0.26 0.00 0.00 57.72 53.44 2wdn n HIS 102 Cb 0.67 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 2wdn n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wdn s ILE 103 N -0.61 3.61 -0.05 1.59 1.01 -0.86 -2.45 121.20 123.44 2wdn s ILE 103 Ca 0.33 0.61 0.01 0.00 0.00 0.00 0.00 60.65 61.60 2wdn s ILE 103 Cb 0.07 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 2wdn s ILE 103 CO -0.16 -0.55 -0.06 -0.89 0.00 0.00 0.00 174.94 173.28 2wdn s THR 104 N 6.48 3.74 0.01 2.92 2.01 -0.05 -0.34 115.64 130.41 2wdn s THR 104 Ca 0.73 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2wdn s THR 104 Cb -0.19 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 2wdn s THR 104 CO 0.33 0.55 0.00 -0.69 -0.69 0.00 0.00 174.62 174.13 2wdn s VAL 105 N -0.86 0.08 -0.02 3.82 1.01 -1.26 -1.41 120.40 121.77 2wdn s VAL 105 Ca 0.14 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 2wdn s VAL 105 Cb -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2wdn s VAL 105 CO 0.03 -0.38 0.03 0.27 0.00 0.00 0.00 175.10 175.05 2wdn s ILE 106 N -1.14 -0.03 0.22 2.22 -4.36 0.84 0.73 121.20 119.68 2wdn s ILE 106 Ca -0.13 0.12 0.07 0.00 -0.26 0.00 0.00 60.65 60.45 2wdn s ILE 106 Cb -0.08 -0.07 -0.04 0.00 1.25 0.00 0.00 42.46 43.53 2wdn s ILE 106 CO -0.00 0.05 0.16 -0.76 0.24 0.00 0.00 174.94 174.63 2wdn s LEU 107 N 0.60 3.77 0.23 0.37 1.02 0.19 -0.63 118.68 124.23 2wdn s LEU 107 Ca -0.05 -0.23 -0.08 0.00 0.02 0.00 0.00 54.13 53.79 2wdn s LEU 107 Cb -0.07 -2.33 -0.02 0.00 0.02 0.00 0.00 46.19 43.79 2wdn s LEU 107 CO -0.02 0.00 0.34 -0.83 0.02 0.00 0.00 176.35 175.86 2wdn s GLY 108 N -3.58 0.88 0.12 -3.19 0.00 -0.46 -1.77 107.32 99.31 2wdn s GLY 108 Ca 0.32 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 2wdn s GLY 108 CO 0.24 -0.93 0.33 -0.54 0.00 0.00 0.00 173.10 172.20 2wdn s GLU 109 N -4.07 3.58 0.00 2.90 2.02 -1.26 -1.42 118.70 120.45 2wdn s GLU 109 Ca 0.29 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2wdn s GLU 109 Cb 0.02 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2wdn s GLU 109 CO 0.10 0.51 0.00 1.17 0.02 0.00 0.00 175.26 177.05 2wdn n LYS 110 N 0.16 0.79 -0.09 1.61 3.00 0.22 -4.92 118.16 118.93 2wdn n LYS 110 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2wdn n LYS 110 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2wdn n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wdn n HIS 111 N -0.62 -1.91 0.00 5.64 1.44 -1.26 -5.05 115.22 113.46 2wdn n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2wdn n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2wdn n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wdn n GLY 112 N 5.00 -1.60 0.00 -1.39 0.00 -1.26 -5.10 105.19 100.84 2wdn n GLY 112 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2wdn n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60