#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s GLU 2 N 0.00 0.32 -0.10 2.12 -1.05 -1.26 -4.62 118.70 114.11 2wrl s GLU 2 Ca 0.00 0.55 -0.10 0.00 -0.15 0.00 0.00 54.97 55.26 2wrl s GLU 2 Cb 0.00 0.07 -0.05 0.00 -0.44 0.00 0.00 34.13 33.71 2wrl s GLU 2 CO 0.00 -0.07 0.24 0.00 0.95 0.00 0.00 175.26 176.38 2wrl s ALA 3 N 1.26 3.78 0.59 -0.84 0.00 -1.26 -4.97 121.76 120.31 2wrl s ALA 3 Ca -0.09 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2wrl s ALA 3 Cb -0.03 -2.16 0.08 0.00 0.00 0.00 0.00 23.12 21.00 2wrl s ALA 3 CO -0.14 0.48 0.81 0.21 0.00 0.00 0.00 175.76 177.12 2wrl s LYS 4 N -0.75 2.25 0.00 0.00 2.20 -1.26 -2.25 119.74 119.93 2wrl s LYS 4 Ca 0.17 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.43 2wrl s LYS 4 Cb -0.13 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 2wrl s LYS 4 CO 0.06 -0.90 0.00 0.00 -0.36 0.00 0.00 175.35 174.15 2wrl n ALA 5 N -2.34 0.00 -0.27 3.13 0.00 -0.28 -4.50 120.51 116.24 2wrl n ALA 5 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2wrl n ALA 5 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2wrl n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wrl n ILE 6 N 0.00 -0.73 -3.74 0.00 5.41 -1.22 -4.86 119.36 114.22 2wrl n ILE 6 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.47 2wrl n ILE 6 Cb 0.00 -0.91 -0.12 0.00 -0.71 0.00 0.00 39.64 37.90 2wrl n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wrl s ALA 7 N 0.00 2.91 1.01 -1.39 0.00 0.15 -4.96 121.76 119.48 2wrl s ALA 7 Ca 0.00 -3.25 -0.12 0.00 0.00 0.00 0.00 51.96 48.59 2wrl s ALA 7 Cb 0.00 -1.98 0.19 0.00 0.00 0.00 0.00 23.12 21.34 2wrl s ALA 7 CO 0.00 -2.06 1.08 1.03 0.00 0.00 0.00 175.76 175.81 2wrl s ARG 8 N -0.71 0.36 -0.65 0.00 0.52 -1.26 -1.97 118.95 115.24 2wrl s ARG 8 Ca 0.25 0.75 -0.15 0.00 -0.52 0.00 0.00 55.73 56.07 2wrl s ARG 8 Cb -0.07 -1.71 0.02 0.00 0.52 0.00 0.00 34.95 33.71 2wrl s ARG 8 CO -0.14 -2.84 0.60 0.66 0.02 0.00 0.00 175.30 173.60 2wrl n TYR 9 N -4.29 -2.17 -0.00 -0.53 4.02 -0.86 -4.87 117.16 108.46 2wrl n TYR 9 Ca 0.06 0.90 -0.22 0.00 -0.01 0.00 0.00 57.90 58.63 2wrl n TYR 9 Cb 0.56 -2.24 -0.14 0.00 -0.02 0.00 0.00 39.34 37.50 2wrl n TYR 9 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2wrl h VAL 10 N 0.63 0.89 -2.46 -0.72 2.07 -0.31 -3.47 116.25 112.88 2wrl h VAL 10 Ca -0.59 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 64.57 2wrl h VAL 10 Cb 1.35 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 2wrl h VAL 10 CO 0.30 0.71 0.00 -1.14 0.02 0.00 0.00 177.57 177.47 2wrl n ARG 11 N -3.85 0.00 -3.55 1.57 0.00 -1.26 -4.90 116.66 104.67 2wrl n ARG 11 Ca -0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.43 2wrl n ARG 11 Cb 0.92 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.82 2wrl n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wrl s ILE 12 N -2.86 0.00 0.43 5.15 2.07 -1.25 -4.97 121.20 119.77 2wrl s ILE 12 Ca 0.00 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.99 2wrl s ILE 12 Cb 0.00 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.51 2wrl s ILE 12 CO 0.00 0.00 1.26 -0.55 -1.91 0.00 0.00 174.94 173.74 2wrl s SER 13 N -1.13 6.18 0.01 4.50 0.15 -1.26 -3.39 113.70 118.76 2wrl s SER 13 Ca -0.06 2.54 -0.03 0.00 0.70 0.00 0.00 55.95 59.10 2wrl s SER 13 Cb -0.00 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2wrl s SER 13 CO 0.05 -0.93 1.05 -0.65 1.20 0.00 0.00 173.24 173.97 2wrl h PRO 14 N 2.39 -0.10 -1.22 5.44 0.11 -1.94 -2.62 132.00 134.06 2wrl h PRO 14 Ca -0.50 0.01 0.38 0.00 0.11 0.00 0.00 66.00 66.00 2wrl h PRO 14 Cb 1.25 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.27 2wrl h PRO 14 CO 0.61 -0.07 0.78 0.00 -0.21 0.00 0.00 178.00 179.12 2wrl h ARG 15 N -0.11 0.17 0.24 1.05 3.08 -1.95 0.16 114.38 117.03 2wrl h ARG 15 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2wrl h ARG 15 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2wrl h ARG 15 CO 0.01 0.11 -0.11 0.87 -1.07 0.00 0.00 179.97 179.78 2wrl h LYS 16 N 0.18 -0.31 0.08 0.04 1.57 -1.91 -3.29 116.57 112.93 2wrl h LYS 16 Ca 0.75 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.55 2wrl h LYS 16 Cb 2.24 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.62 2wrl h LYS 16 CO -0.39 -0.16 -0.04 0.28 -0.57 0.00 0.00 179.45 178.57 2wrl h VAL 17 N -0.38 1.13 -1.58 0.50 2.07 -0.36 -3.17 116.25 114.46 2wrl h VAL 17 Ca -0.03 -0.83 0.46 0.00 0.82 0.00 0.00 66.70 67.12 2wrl h VAL 17 Cb 0.29 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 2wrl h VAL 17 CO 0.05 0.20 1.22 0.54 0.02 0.00 0.00 177.57 179.61 2wrl n ARG 18 N -4.96 0.00 -0.35 1.57 1.74 -0.48 0.41 116.66 114.58 2wrl n ARG 18 Ca -0.08 0.94 -0.01 0.00 -0.77 0.00 0.00 57.85 57.93 2wrl n ARG 18 Cb 0.22 -2.21 0.13 0.00 -1.02 0.00 0.00 32.46 29.58 2wrl n ARG 18 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wrl h LEU 19 N 0.00 1.04 0.00 0.55 4.07 -1.61 -1.86 115.31 117.50 2wrl h LEU 19 Ca 0.75 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.64 2wrl h LEU 19 Cb 3.19 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 44.68 2wrl h LEU 19 CO -0.01 0.72 -0.36 -0.37 -1.08 0.00 0.00 178.44 177.35 2wrl h VAL 20 N 1.22 1.40 0.00 1.22 -1.51 -0.27 -3.15 116.25 115.16 2wrl h VAL 20 Ca 0.38 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.66 2wrl h VAL 20 Cb -0.01 2.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 2wrl h VAL 20 CO -0.12 0.47 0.42 0.58 -1.23 0.00 0.00 177.57 177.70 2wrl h VAL 21 N -1.00 0.00 0.00 7.19 2.07 -1.48 2.15 116.25 125.18 2wrl h VAL 21 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2wrl h VAL 21 Cb 1.01 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2wrl h VAL 21 CO -0.06 0.00 -1.93 0.47 0.02 0.00 0.00 177.57 176.08 2wrl n ASP 22 N -2.13 0.41 0.00 0.57 10.43 -0.70 -3.66 116.55 121.46 2wrl n ASP 22 Ca -0.01 0.00 0.13 0.00 2.57 0.00 0.00 54.79 57.48 2wrl n ASP 22 Cb 0.44 1.90 0.59 0.00 1.84 0.00 0.00 41.12 45.88 2wrl n ASP 22 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2wrl n LEU 23 N -2.21 0.00 -0.00 0.64 7.94 0.72 -3.78 117.00 120.32 2wrl n LEU 23 Ca -0.04 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 2wrl n LEU 23 Cb 0.54 -0.43 -0.01 0.00 0.53 0.00 0.00 43.42 44.05 2wrl n LEU 23 CO 0.42 -0.05 -0.41 2.30 -1.11 0.00 0.00 177.39 178.54 2wrl n ILE 24 N -1.43 0.00 -1.43 1.96 -5.35 -1.02 -5.03 119.36 107.06 2wrl n ILE 24 Ca 0.08 -0.10 -0.48 0.00 -0.27 0.00 0.00 62.75 61.98 2wrl n ILE 24 Cb 0.27 0.58 -0.11 0.00 -1.74 0.00 0.00 39.64 38.64 2wrl n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2wrl n ARG 25 N -1.43 0.35 -0.98 6.28 0.63 -1.24 -2.61 116.66 117.65 2wrl n ARG 25 Ca -0.00 0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 2wrl n ARG 25 Cb 0.02 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 30.99 2wrl n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wrl n GLY 26 N 6.72 0.54 2.98 5.14 0.00 -0.37 -5.04 105.19 115.16 2wrl n GLY 26 Ca 0.54 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2wrl n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 27 N -1.51 0.28 0.32 1.61 1.02 -1.07 -4.87 119.74 115.51 2wrl s LYS 27 Ca 0.00 -0.45 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 2wrl s LYS 27 Cb 0.00 0.10 -0.14 0.00 -0.52 0.00 0.00 37.83 37.28 2wrl s LYS 27 CO 0.00 -0.05 0.84 -1.13 -0.92 0.00 0.00 175.35 174.09 2wrl n SER 28 N 1.88 0.46 0.21 2.83 3.41 -1.26 -1.67 113.62 119.48 2wrl n SER 28 Ca -0.21 1.09 0.12 0.00 -0.26 0.00 0.00 58.87 59.61 2wrl n SER 28 Cb 0.56 -1.21 0.64 0.00 -0.26 0.00 0.00 64.21 63.93 2wrl n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wrl h LEU 29 N 1.52 0.00 0.15 1.04 5.85 -1.48 -0.98 115.31 121.42 2wrl h LEU 29 Ca -0.39 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2wrl h LEU 29 Cb 1.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2wrl h LEU 29 CO 0.57 0.00 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.52 2wrl h GLU 30 N 0.00 -0.20 -0.66 1.25 4.81 -1.85 -3.17 114.58 114.76 2wrl h GLU 30 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 2wrl h GLU 30 Cb 0.28 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.58 2wrl h GLU 30 CO 0.00 -0.13 -0.19 0.93 -0.73 0.00 0.00 179.01 178.89 2wrl h GLU 31 N -0.34 -0.02 -0.41 1.92 5.08 -1.54 -2.51 114.58 116.75 2wrl h GLU 31 Ca -0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2wrl h GLU 31 Cb 0.16 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2wrl h GLU 31 CO 0.03 -0.02 -0.25 0.00 -1.00 0.00 0.00 179.01 177.78 2wrl h ALA 32 N 1.58 -0.24 -1.05 3.43 0.00 -1.42 0.11 119.26 121.67 2wrl h ALA 32 Ca 0.31 0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.55 2wrl h ALA 32 Cb 0.50 1.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 2wrl h ALA 32 CO -0.69 -0.42 0.71 0.00 0.00 0.00 0.00 179.25 178.85 2wrl h ARG 33 N -0.01 0.25 0.01 0.00 3.08 -1.42 0.25 114.38 116.54 2wrl h ARG 33 Ca 0.07 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 2wrl h ARG 33 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2wrl h ARG 33 CO -0.39 0.16 -0.88 -0.91 -1.07 0.00 0.00 179.97 176.88 2wrl h ASN 34 N 0.25 0.17 0.16 7.04 4.21 -0.81 0.31 115.58 126.91 2wrl h ASN 34 Ca 0.56 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.92 2wrl h ASN 34 Cb 1.70 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.85 2wrl h ASN 34 CO -0.19 0.96 -0.08 0.40 -1.29 0.00 0.00 177.43 177.24 2wrl h ILE 35 N 0.07 0.00 -0.07 2.81 1.08 0.15 -2.48 117.51 119.07 2wrl h ILE 35 Ca -0.03 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2wrl h ILE 35 Cb 1.52 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2wrl h ILE 35 CO 0.13 0.00 0.17 -0.07 -0.69 0.00 0.00 178.15 177.69 2wrl h LEU 36 N -0.32 0.00 0.74 1.44 3.38 -1.15 -1.91 115.31 117.49 2wrl h LEU 36 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2wrl h LEU 36 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 2wrl h LEU 36 CO 0.04 0.00 -0.36 -0.09 0.09 0.00 0.00 178.44 178.12 2wrl h ARG 37 N 0.00 -0.96 -2.41 1.13 9.65 -0.24 -3.35 114.38 118.20 2wrl h ARG 37 Ca 0.03 0.07 -0.68 0.00 -1.10 0.00 0.00 59.98 58.30 2wrl h ARG 37 Cb 0.37 0.22 -0.37 0.00 -1.39 0.00 0.00 29.97 28.81 2wrl h ARG 37 CO -0.00 -0.62 -0.06 0.66 2.80 0.00 0.00 179.97 182.74 2wrl n TYR 38 N -5.49 3.24 -4.01 2.20 4.01 -0.73 -5.01 117.16 111.38 2wrl n TYR 38 Ca -0.14 -3.54 -0.25 0.00 -0.16 0.00 0.00 57.90 53.81 2wrl n TYR 38 Cb 0.41 -0.80 -0.17 0.00 -0.31 0.00 0.00 39.34 38.47 2wrl n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wrl s THR 39 N -3.06 0.83 -1.27 -0.72 2.01 -1.15 -4.93 115.64 107.34 2wrl s THR 39 Ca 0.39 -0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.00 2wrl s THR 39 Cb 0.15 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2wrl s THR 39 CO -0.01 0.32 1.79 0.20 -0.69 0.00 0.00 174.62 176.23 2wrl s ASN 40 N 1.51 6.37 -0.29 3.53 -0.87 -1.26 -4.79 114.94 119.14 2wrl s ASN 40 Ca -0.00 -2.24 -0.16 0.00 -1.57 0.00 0.00 52.86 48.89 2wrl s ASN 40 Cb -0.13 -2.58 0.12 0.00 -0.02 0.00 0.00 41.25 38.63 2wrl s ASN 40 CO -0.05 -1.66 0.85 -0.54 -2.57 0.00 0.00 177.10 173.13 2wrl s LYS 41 N 4.81 0.52 0.00 -0.60 -0.14 -1.26 -4.98 119.74 118.09 2wrl s LYS 41 Ca 0.58 0.92 0.00 0.00 -1.36 0.00 0.00 55.97 56.11 2wrl s LYS 41 Cb 0.03 0.14 0.00 0.00 -1.68 0.00 0.00 37.83 36.31 2wrl s LYS 41 CO 0.09 -0.11 0.99 -2.13 -0.76 0.00 0.00 175.35 173.43 2wrl n ARG 42 N 4.05 0.00 0.01 1.68 0.63 -1.26 -1.43 116.66 120.34 2wrl n ARG 42 Ca -0.19 0.49 -0.18 0.00 -0.92 0.00 0.00 57.85 57.05 2wrl n ARG 42 Cb 0.58 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.88 2wrl n ARG 42 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2wrl h GLY 43 N 0.00 0.60 0.00 5.14 0.00 -1.94 -3.37 103.07 103.51 2wrl h GLY 43 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.32 2wrl h GLY 43 CO 0.00 0.90 0.00 0.00 0.00 0.00 0.00 176.54 177.44 2wrl n ALA 44 N -2.60 -0.01 -0.13 3.60 0.00 -0.51 -0.65 120.51 120.20 2wrl n ALA 44 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 2wrl n ALA 44 Cb 0.73 0.41 -0.03 0.00 0.00 0.00 0.00 19.45 20.56 2wrl n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wrl n TYR 45 N -2.37 -0.14 -0.15 0.00 9.36 -1.26 0.16 117.16 122.76 2wrl n TYR 45 Ca 0.00 0.39 -0.06 0.00 3.32 0.00 0.00 57.90 61.55 2wrl n TYR 45 Cb 0.00 -0.45 0.03 0.00 -0.63 0.00 0.00 39.34 38.29 2wrl n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2wrl h PHE 46 N 0.00 0.49 0.00 2.98 0.04 -1.50 0.60 116.94 119.54 2wrl h PHE 46 Ca 0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2wrl h PHE 46 Cb 0.13 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2wrl h PHE 46 CO -0.42 0.27 0.00 0.28 -0.60 0.00 0.00 178.31 177.84 2wrl n VAL 47 N -4.85 0.89 -0.08 -0.55 0.31 0.43 -1.56 118.33 112.92 2wrl n VAL 47 Ca 0.03 0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 64.41 2wrl n VAL 47 Cb 0.09 -1.19 -0.12 0.00 -0.91 0.00 0.00 33.84 31.71 2wrl n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrl n ALA 48 N -1.73 0.92 -0.09 3.52 0.00 0.97 -2.78 120.51 121.32 2wrl n ALA 48 Ca 0.02 -0.65 0.12 0.00 0.00 0.00 0.00 53.44 52.93 2wrl n ALA 48 Cb 0.20 -0.47 0.50 0.00 0.00 0.00 0.00 19.45 19.68 2wrl n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wrl h LYS 49 N -0.59 0.40 0.16 0.00 3.64 -0.74 0.63 116.57 120.06 2wrl h LYS 49 Ca -0.44 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 58.62 2wrl h LYS 49 Cb 1.62 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.37 2wrl h LYS 49 CO -0.14 0.26 -1.31 -0.24 -2.27 0.00 0.00 179.45 175.75 2wrl h VAL 50 N 0.41 1.43 -0.52 2.00 3.04 -1.43 -3.25 116.25 117.93 2wrl h VAL 50 Ca 0.29 -2.97 -0.03 0.00 -1.01 0.00 0.00 66.70 62.98 2wrl h VAL 50 Cb 0.59 2.96 -0.03 0.00 -2.01 0.00 0.00 31.29 32.80 2wrl h VAL 50 CO -0.08 0.87 0.20 0.25 -1.01 0.00 0.00 177.57 177.80 2wrl h LEU 51 N 0.09 0.68 -0.37 3.16 7.12 -0.77 -2.74 115.31 122.48 2wrl h LEU 51 Ca -0.17 -0.08 -0.18 0.00 0.13 0.00 0.00 57.88 57.58 2wrl h LEU 51 Cb 2.02 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.96 2wrl h LEU 51 CO 0.22 0.62 -0.82 -0.33 -0.13 0.00 0.00 178.44 178.00 2wrl h GLU 52 N 0.74 0.11 0.00 1.25 3.07 -1.21 -1.00 114.58 117.53 2wrl h GLU 52 Ca 0.18 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2wrl h GLU 52 Cb 0.16 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2wrl h GLU 52 CO -0.02 0.86 0.00 0.45 -1.40 0.00 0.00 179.01 178.91 2wrl n SER 53 N -3.65 0.71 0.02 1.42 2.88 -1.10 -0.42 113.62 113.48 2wrl n SER 53 Ca -0.02 0.67 0.07 0.00 -1.33 0.00 0.00 58.87 58.25 2wrl n SER 53 Cb 0.77 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 63.31 2wrl n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wrl n ALA 54 N -1.79 2.40 -0.01 -1.46 0.00 -0.90 -3.32 120.51 115.44 2wrl n ALA 54 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 2wrl n ALA 54 Cb 0.24 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 2wrl n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl h ALA 55 N 1.77 0.70 0.62 0.00 0.00 -0.55 -3.26 119.26 118.54 2wrl h ALA 55 Ca -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 54.91 53.41 2wrl h ALA 55 Cb 1.26 0.39 0.01 0.00 0.00 0.00 0.00 17.79 19.45 2wrl h ALA 55 CO 0.01 1.53 -0.30 0.00 0.00 0.00 0.00 179.25 180.49 2wrl h ALA 56 N 0.98 -0.84 0.00 0.00 0.00 -0.90 -2.91 119.26 115.60 2wrl h ALA 56 Ca -0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wrl h ALA 56 Cb 1.98 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2wrl h ALA 56 CO 0.09 -0.80 0.01 0.09 0.00 0.00 0.00 179.25 178.64 2wrl n ASN 57 N -5.34 0.00 -0.09 0.00 5.03 -1.21 -2.01 115.26 111.64 2wrl n ASN 57 Ca -0.11 0.15 -0.15 0.00 0.87 0.00 0.00 54.58 55.34 2wrl n ASN 57 Cb 0.34 -0.15 -0.06 0.00 -1.02 0.00 0.00 39.78 38.89 2wrl n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wrl n ALA 58 N -1.12 0.74 -0.09 5.41 0.00 -1.12 -2.91 120.51 121.41 2wrl n ALA 58 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 53.44 52.76 2wrl n ALA 58 Cb 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 19.45 19.34 2wrl n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrl n VAL 59 N -4.48 1.96 0.01 0.00 0.31 -0.85 0.95 118.33 116.22 2wrl n VAL 59 Ca -0.23 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.32 2wrl n VAL 59 Cb 0.53 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 2wrl n VAL 59 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wrl n ASN 60 N 0.46 -0.07 0.08 4.52 2.85 -0.90 -4.70 115.26 117.49 2wrl n ASN 60 Ca 0.16 0.03 -0.10 0.00 -0.11 0.00 0.00 54.58 54.56 2wrl n ASN 60 Cb 0.68 0.23 -0.05 0.00 1.24 0.00 0.00 39.78 41.88 2wrl n ASN 60 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 2wrl h ASN 61 N 0.00 0.25 -0.01 1.20 -0.26 -1.71 -3.32 115.58 111.73 2wrl h ASN 61 Ca 0.00 -0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.51 2wrl h ASN 61 Cb 0.00 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 2wrl h ASN 61 CO 0.00 1.08 0.00 1.41 -1.06 0.00 0.00 177.43 178.86 2wrl n HIS 62 N -3.58 0.02 -0.07 1.19 8.25 -1.20 -5.05 115.22 114.77 2wrl n HIS 62 Ca -0.04 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 2wrl n HIS 62 Cb 0.87 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2wrl n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wrl n ASP 63 N -0.23 -0.16 -0.02 0.41 5.75 0.27 -4.91 116.55 117.66 2wrl n ASP 63 Ca 0.01 0.02 0.01 0.00 -0.01 0.00 0.00 54.79 54.82 2wrl n ASP 63 Cb 0.16 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.22 2wrl n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wrl n MET 64 N 1.13 2.16 -1.72 0.11 2.81 -0.82 -4.92 117.12 115.86 2wrl n MET 64 Ca 0.00 -1.39 -0.01 0.00 -1.81 0.00 0.00 57.70 54.49 2wrl n MET 64 Cb 0.00 -0.93 -0.01 0.00 -0.71 0.00 0.00 33.22 31.57 2wrl n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wrl n LEU 65 N -0.47 -3.68 -0.05 4.03 7.94 -1.26 -4.72 117.00 118.78 2wrl n LEU 65 Ca 0.01 0.99 -0.08 0.00 -1.11 0.00 0.00 56.01 55.83 2wrl n LEU 65 Cb 0.35 -1.87 -0.02 0.00 0.53 0.00 0.00 43.42 42.41 2wrl n LEU 65 CO 0.00 -1.34 0.70 -0.08 -1.11 0.00 0.00 177.39 175.56 2wrl h GLU 66 N 1.60 -0.23 -0.27 1.96 4.81 -1.96 -2.57 114.58 117.92 2wrl h GLU 66 Ca -0.11 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2wrl h GLU 66 Cb 0.25 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2wrl h GLU 66 CO 0.00 -0.15 0.78 -0.44 -0.73 0.00 0.00 179.01 178.47 2wrl h ASP 67 N -0.24 0.00 -0.85 1.04 3.32 -2.02 0.16 116.42 117.84 2wrl h ASP 67 Ca 0.14 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.64 2wrl h ASP 67 Cb 0.45 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.71 2wrl h ASP 67 CO -0.39 0.00 0.37 0.54 -1.72 0.00 0.00 179.24 178.04 2wrl n ARG 68 N -2.94 2.65 -4.22 3.56 1.74 -0.97 -4.96 116.66 111.52 2wrl n ARG 68 Ca 0.05 -3.39 -0.33 0.00 -0.77 0.00 0.00 57.85 53.41 2wrl n ARG 68 Cb 0.88 -2.19 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 2wrl n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wrl s LEU 69 N -3.60 3.68 -0.00 0.55 1.43 0.57 -1.68 118.68 119.64 2wrl s LEU 69 Ca 0.58 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.51 2wrl s LEU 69 Cb 0.47 -2.07 0.06 0.00 0.03 0.00 0.00 46.19 44.68 2wrl s LEU 69 CO 0.02 0.30 0.56 -0.72 0.23 0.00 0.00 176.35 176.74 2wrl s TYR 70 N -1.09 -0.50 -0.49 0.29 -0.85 -0.98 -1.18 117.35 112.56 2wrl s TYR 70 Ca 0.19 0.73 -0.28 0.00 -0.52 0.00 0.00 57.07 57.20 2wrl s TYR 70 Cb -0.12 0.34 -0.00 0.00 0.38 0.00 0.00 41.96 42.56 2wrl s TYR 70 CO 0.10 -0.59 1.58 0.08 -1.52 0.00 0.00 175.55 175.19 2wrl s VAL 71 N -1.73 3.67 0.00 -3.49 1.01 -0.67 -1.57 120.40 117.62 2wrl s VAL 71 Ca -0.09 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2wrl s VAL 71 Cb -0.01 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2wrl s VAL 71 CO 0.04 -0.87 0.70 1.17 0.00 0.00 0.00 175.10 176.15 2wrl n LYS 72 N 8.58 0.00 -4.02 2.72 4.81 0.15 -1.24 118.16 129.16 2wrl n LYS 72 Ca 0.17 0.33 -0.11 0.00 -0.87 0.00 0.00 58.31 57.82 2wrl n LYS 72 Cb 0.49 -1.25 -0.12 0.00 0.02 0.00 0.00 35.03 34.17 2wrl n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wrl s ALA 73 N -2.76 0.34 0.05 3.14 0.00 -0.99 -4.14 121.76 117.40 2wrl s ALA 73 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 2wrl s ALA 73 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2wrl s ALA 73 CO 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 175.76 175.65 2wrl s ALA 74 N -1.27 0.55 0.00 0.00 0.00 -1.26 -2.57 121.76 117.20 2wrl s ALA 74 Ca -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2wrl s ALA 74 Cb -0.09 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2wrl s ALA 74 CO -0.00 -0.35 0.00 2.48 0.00 0.00 0.00 175.76 177.89 2wrl n TYR 75 N 0.14 0.00 -3.66 0.00 4.11 -1.15 -5.02 117.16 111.57 2wrl n TYR 75 Ca -0.14 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.50 2wrl n TYR 75 Cb 0.61 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.78 2wrl n TYR 75 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2wrl s VAL 76 N -2.00 0.14 0.31 -3.48 0.11 -1.26 -2.02 120.40 112.20 2wrl s VAL 76 Ca 0.00 -0.28 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 2wrl s VAL 76 Cb 0.00 -0.72 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 2wrl s VAL 76 CO 0.00 -0.23 0.82 -1.81 -3.33 0.00 0.00 175.10 170.55 2wrl s ASP 77 N 2.04 7.00 0.38 3.54 1.01 -1.08 -4.89 116.67 124.67 2wrl s ASP 77 Ca 0.01 1.51 -0.23 0.00 0.71 0.00 0.00 52.55 54.55 2wrl s ASP 77 Cb -0.16 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 2wrl s ASP 77 CO -0.08 -0.14 0.94 -0.70 0.21 0.00 0.00 175.17 175.40 2wrl s GLU 78 N -2.54 4.39 0.51 8.23 2.12 -1.26 -1.30 118.70 128.84 2wrl s GLU 78 Ca 0.52 1.21 0.07 0.00 0.36 0.00 0.00 54.97 57.12 2wrl s GLU 78 Cb -0.13 -2.47 0.03 0.00 0.26 0.00 0.00 34.13 31.81 2wrl s GLU 78 CO 0.19 0.12 0.48 0.20 -0.54 0.00 0.00 175.26 175.71 2wrl s GLY 79 N -1.92 2.15 -0.18 -1.50 0.00 -0.50 -4.79 107.32 100.58 2wrl s GLY 79 Ca 0.56 -1.66 -0.37 0.00 0.00 0.00 0.00 44.72 43.25 2wrl s GLY 79 CO 0.18 -1.80 1.81 -1.55 0.00 0.00 0.00 173.10 171.73 2wrl n PRO 80 N -1.80 1.67 -2.57 2.90 -0.04 -1.26 -4.16 135.00 129.73 2wrl n PRO 80 Ca 0.04 0.61 -0.35 0.00 -0.04 0.00 0.00 63.50 63.76 2wrl n PRO 80 Cb 0.63 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 2wrl n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrl s ALA 81 N 3.75 2.99 -0.29 0.55 0.00 -1.26 -4.55 121.76 122.94 2wrl s ALA 81 Ca 0.95 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 53.39 2wrl s ALA 81 Cb -0.88 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2wrl s ALA 81 CO 0.58 -0.22 0.37 -0.51 0.00 0.00 0.00 175.76 175.99 2wrl s LEU 82 N -3.06 4.14 0.31 0.00 1.02 -0.18 -4.92 118.68 115.99 2wrl s LEU 82 Ca 0.62 0.14 -0.27 0.00 0.02 0.00 0.00 54.13 54.65 2wrl s LEU 82 Cb -0.18 -2.41 -0.09 0.00 0.02 0.00 0.00 46.19 43.53 2wrl s LEU 82 CO 0.23 -0.23 0.99 -0.54 0.02 0.00 0.00 176.35 176.82 2wrl s LYS 83 N 2.07 4.58 -0.01 1.70 -0.14 -1.26 0.09 119.74 126.77 2wrl s LYS 83 Ca 0.14 1.49 -0.15 0.00 -1.36 0.00 0.00 55.97 56.09 2wrl s LYS 83 Cb -0.16 -2.94 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 2wrl s LYS 83 CO 0.11 0.24 0.32 1.03 -0.76 0.00 0.00 175.35 176.29 2wrl s ARG 84 N -1.82 0.69 -0.06 1.68 1.81 -0.78 -4.90 118.95 115.56 2wrl s ARG 84 Ca 0.48 -0.22 -0.12 0.00 -1.72 0.00 0.00 55.73 54.15 2wrl s ARG 84 Cb -0.23 0.31 -0.05 0.00 -0.45 0.00 0.00 34.95 34.52 2wrl s ARG 84 CO 0.30 -0.19 0.31 0.08 -0.68 0.00 0.00 175.30 175.11 2wrl s VAL 85 N -1.46 5.22 -0.22 3.52 1.01 -1.26 0.17 120.40 127.38 2wrl s VAL 85 Ca -0.13 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.47 2wrl s VAL 85 Cb -0.05 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.77 2wrl s VAL 85 CO 0.04 0.56 -0.13 -0.22 0.00 0.00 0.00 175.10 175.34 2wrl s LEU 86 N -0.78 2.73 -0.20 3.92 2.96 0.40 -4.87 118.68 122.85 2wrl s LEU 86 Ca 0.20 -1.05 -0.29 0.00 -0.22 0.00 0.00 54.13 52.77 2wrl s LEU 86 Cb -0.15 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2wrl s LEU 86 CO 0.09 -0.13 1.64 -2.84 -1.32 0.00 0.00 176.35 173.78 2wrl s PRO 87 N 1.25 3.82 0.45 0.98 0.02 -1.26 -0.78 135.00 139.49 2wrl s PRO 87 Ca -0.03 1.74 0.04 0.00 0.02 0.00 0.00 61.00 62.76 2wrl s PRO 87 Cb -0.17 -4.04 0.01 0.00 0.02 0.00 0.00 34.50 30.32 2wrl s PRO 87 CO -0.08 -1.26 0.64 1.03 -0.33 0.00 0.00 177.00 177.00 2wrl s ARG 88 N 4.64 2.85 0.51 5.54 3.00 -1.26 -4.87 118.95 129.36 2wrl s ARG 88 Ca 0.72 -0.86 -0.22 0.00 0.00 0.00 0.00 55.73 55.37 2wrl s ARG 88 Cb -0.26 -2.63 -0.06 0.00 0.00 0.00 0.00 34.95 32.00 2wrl s ARG 88 CO 0.29 -0.35 1.27 0.00 0.00 0.00 0.00 175.30 176.51 2wrl s ALA 89 N -2.50 2.87 -1.12 2.13 0.00 -1.26 -3.11 121.76 118.77 2wrl s ALA 89 Ca 0.52 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 2wrl s ALA 89 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wrl s ALA 89 CO 0.36 -1.06 0.24 0.54 0.00 0.00 0.00 175.76 175.84 2wrl n ARG 90 N -0.82 -2.43 -3.59 0.00 1.74 -1.26 -3.55 116.66 106.76 2wrl n ARG 90 Ca 0.09 0.65 -0.21 0.00 -0.77 0.00 0.00 57.85 57.61 2wrl n ARG 90 Cb 0.46 -4.92 0.05 0.00 -1.02 0.00 0.00 32.46 27.04 2wrl n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 91 N -1.17 -0.49 0.12 -0.13 0.00 -1.18 -4.96 105.19 97.37 2wrl n GLY 91 Ca -0.12 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2wrl n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wrl n ARG 92 N -4.10 0.62 -2.39 1.61 0.63 -1.22 -4.97 116.66 106.83 2wrl n ARG 92 Ca -0.25 0.48 -0.02 0.00 -0.92 0.00 0.00 57.85 57.15 2wrl n ARG 92 Cb 0.66 -1.73 -0.02 0.00 0.45 0.00 0.00 32.46 31.82 2wrl n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrl n ALA 93 N -3.32 -3.47 -2.88 5.13 0.00 -1.25 -4.87 120.51 109.84 2wrl n ALA 93 Ca -0.33 1.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.89 2wrl n ALA 93 Cb 0.79 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 2wrl n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wrl s ASP 94 N -0.91 6.26 -0.30 0.00 -0.00 0.04 -4.86 116.67 116.90 2wrl s ASP 94 Ca -0.11 0.35 -0.11 0.00 -0.00 0.00 0.00 52.55 52.68 2wrl s ASP 94 Cb 0.01 -1.96 -0.04 0.00 -0.00 0.00 0.00 42.92 40.93 2wrl s ASP 94 CO 0.61 0.31 0.20 0.27 -0.00 0.00 0.00 175.17 176.56 2wrl s ILE 95 N -1.22 5.24 -0.20 0.77 -4.36 -1.26 0.15 121.20 120.32 2wrl s ILE 95 Ca 0.23 0.02 -0.14 0.00 -0.26 0.00 0.00 60.65 60.50 2wrl s ILE 95 Cb -0.12 -3.56 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 2wrl s ILE 95 CO 0.14 0.17 0.32 -0.51 0.24 0.00 0.00 174.94 175.30 2wrl s ILE 96 N 1.74 5.26 -0.55 8.37 2.07 0.13 -4.88 121.20 133.32 2wrl s ILE 96 Ca 0.07 0.55 -0.23 0.00 -1.41 0.00 0.00 60.65 59.63 2wrl s ILE 96 Cb -0.16 -3.66 0.05 0.00 0.13 0.00 0.00 42.46 38.82 2wrl s ILE 96 CO 0.10 0.30 0.89 -0.54 -1.91 0.00 0.00 174.94 173.78 2wrl s LYS 97 N 1.11 3.27 -0.90 3.50 1.02 -1.26 -1.87 119.74 124.61 2wrl s LYS 97 Ca 0.16 -0.44 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 2wrl s LYS 97 Cb -0.14 -4.08 0.06 0.00 -0.52 0.00 0.00 37.83 33.15 2wrl s LYS 97 CO 0.06 -1.47 1.32 0.15 -0.92 0.00 0.00 175.35 174.49 2wrl s LYS 98 N 3.72 3.44 1.12 1.68 -0.14 0.11 -4.85 119.74 124.82 2wrl s LYS 98 Ca 0.27 -0.94 -0.17 0.00 -1.36 0.00 0.00 55.97 53.77 2wrl s LYS 98 Cb -0.14 -4.88 0.17 0.00 -1.68 0.00 0.00 37.83 31.30 2wrl s LYS 98 CO 0.17 -2.10 0.27 0.54 -0.76 0.00 0.00 175.35 173.46 2wrl n ARG 99 N 8.62 -2.33 -3.90 1.68 5.12 -1.26 -1.02 116.66 123.57 2wrl n ARG 99 Ca 0.21 -0.68 -0.08 0.00 -1.93 0.00 0.00 57.85 55.37 2wrl n ARG 99 Cb 0.50 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 2wrl n ARG 99 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2wrl s THR 100 N -2.16 0.00 0.16 0.55 -1.32 -1.24 -3.82 115.64 107.81 2wrl s THR 100 Ca 0.50 -1.13 -0.12 0.00 -1.21 0.00 0.00 61.69 59.72 2wrl s THR 100 Cb -0.10 -2.06 0.01 0.00 -1.51 0.00 0.00 72.50 68.84 2wrl s THR 100 CO 0.52 -0.00 0.36 -0.44 -2.21 0.00 0.00 174.62 172.84 2wrl s SER 101 N -2.95 -0.08 -0.34 8.08 0.01 -1.22 -1.41 113.70 115.80 2wrl s SER 101 Ca 0.15 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2wrl s SER 101 Cb -0.04 0.47 0.10 0.00 0.21 0.00 0.00 66.02 66.76 2wrl s SER 101 CO 0.08 -0.91 0.08 -1.00 0.41 0.00 0.00 173.24 171.90 2wrl s HIS 102 N -3.90 2.92 -0.26 2.43 3.76 -0.42 0.34 115.29 120.17 2wrl s HIS 102 Ca 0.11 -2.51 -0.22 0.00 -0.15 0.00 0.00 55.06 52.29 2wrl s HIS 102 Cb 0.02 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.26 2wrl s HIS 102 CO -0.04 -0.91 0.70 0.42 -0.85 0.00 0.00 174.74 174.05 2wrl s ILE 103 N 1.12 4.92 -0.06 0.60 1.01 -0.83 -2.62 121.20 125.34 2wrl s ILE 103 Ca 0.11 1.25 0.02 0.00 0.00 0.00 0.00 60.65 62.03 2wrl s ILE 103 Cb -0.19 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2wrl s ILE 103 CO -0.14 -0.03 -0.11 -0.89 0.00 0.00 0.00 174.94 173.77 2wrl s THR 104 N 2.64 3.37 0.02 2.92 2.01 -0.86 0.35 115.64 126.09 2wrl s THR 104 Ca 0.29 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2wrl s THR 104 Cb -0.15 -2.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2wrl s THR 104 CO 0.09 0.59 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 2wrl s VAL 105 N -0.70 0.43 -0.17 3.82 1.01 -1.26 -2.94 120.40 120.59 2wrl s VAL 105 Ca 0.11 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2wrl s VAL 105 Cb -0.11 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.88 2wrl s VAL 105 CO 0.01 -0.20 0.39 0.27 0.00 0.00 0.00 175.10 175.57 2wrl s ILE 106 N -0.89 -0.30 0.00 2.22 -4.36 -1.06 -1.13 121.20 115.69 2wrl s ILE 106 Ca -0.06 0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.47 2wrl s ILE 106 Cb -0.07 -0.60 0.00 0.00 1.25 0.00 0.00 42.46 43.04 2wrl s ILE 106 CO 0.00 0.06 0.00 0.18 0.24 0.00 0.00 174.94 175.42 2wrl n LEU 107 N 4.79 0.00 -3.82 0.37 7.99 -0.95 -0.67 117.00 124.70 2wrl n LEU 107 Ca -0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.80 2wrl n LEU 107 Cb 0.52 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.84 2wrl n LEU 107 CO 0.05 -0.37 0.78 -0.83 -1.51 0.00 0.00 177.39 175.51 2wrl s GLY 108 N -1.72 -0.03 0.79 -0.72 0.00 -0.61 -4.00 107.32 101.05 2wrl s GLY 108 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 44.72 44.50 2wrl s GLY 108 CO 0.00 1.28 1.11 -1.83 0.00 0.00 0.00 173.10 173.67 2wrl s GLU 109 N -2.61 1.56 0.00 2.90 1.03 -1.23 -2.33 118.70 118.03 2wrl s GLU 109 Ca 0.18 -0.52 0.00 0.00 0.03 0.00 0.00 54.97 54.66 2wrl s GLU 109 Cb -0.02 -2.10 0.00 0.00 -0.80 0.00 0.00 34.13 31.21 2wrl s GLU 109 CO 0.04 -1.68 0.00 1.63 -1.33 0.00 0.00 175.26 173.92 2wrl n LYS 110 N -3.18 3.60 -0.45 -4.83 4.76 -0.67 -4.81 118.16 112.58 2wrl n LYS 110 Ca 0.12 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.31 2wrl n LYS 110 Cb 0.60 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 34.00 2wrl n LYS 110 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wrl n HIS 111 N 0.00 -2.52 0.00 2.13 8.25 -1.26 -5.04 115.22 116.78 2wrl n HIS 111 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 2wrl n HIS 111 Cb 0.00 -1.44 0.00 0.00 1.12 0.00 0.00 29.99 29.67 2wrl n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 112 N 2.05 1.14 0.00 -1.41 0.00 -1.26 -5.18 105.19 100.53 2wrl n GLY 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2wrl n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90