#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgg s SER 2 N 0.00 -0.63 0.26 1.61 0.01 -1.26 -5.06 113.70 108.63 1wgg s SER 2 Ca 0.00 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1wgg s SER 2 Cb 0.00 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.34 1wgg s SER 2 CO 0.00 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.12 1wgg n SER 3 N 2.38 -0.86 0.00 2.44 2.88 -1.26 -5.15 113.62 114.05 1wgg n SER 3 Ca -0.15 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1wgg n SER 3 Cb 0.56 0.97 0.00 0.00 -0.75 0.00 0.00 64.21 64.99 1wgg n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgg n GLY 4 N 0.85 4.78 2.96 0.46 0.00 -1.26 -4.95 105.19 108.04 1wgg n GLY 4 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1wgg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgg n SER 5 N 0.00 -7.88 -2.90 1.61 7.64 -1.26 -4.22 113.62 106.61 1wgg n SER 5 Ca 0.00 0.22 -0.06 0.00 1.01 0.00 0.00 58.87 60.04 1wgg n SER 5 Cb 0.00 -5.36 0.03 0.00 -1.01 0.00 0.00 64.21 57.87 1wgg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgg n SER 6 N -1.08 -6.47 -4.16 6.43 7.64 -1.26 -4.46 113.62 110.26 1wgg n SER 6 Ca 0.06 -0.31 -0.31 0.00 1.01 0.00 0.00 58.87 59.31 1wgg n SER 6 Cb 0.48 -4.59 -0.17 0.00 -1.01 0.00 0.00 64.21 58.93 1wgg n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgg s GLY 7 N -3.07 1.25 0.20 0.23 0.00 -1.26 -1.80 107.32 102.87 1wgg s GLY 7 Ca 0.18 -0.93 0.09 0.00 0.00 0.00 0.00 44.72 44.06 1wgg s GLY 7 CO 0.63 -0.09 -0.05 -0.19 0.00 0.00 0.00 173.10 173.40 1wgg s TYR 8 N 0.65 2.70 -0.23 1.90 1.51 0.17 -4.98 117.35 119.06 1wgg s TYR 8 Ca -0.12 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.72 1wgg s TYR 8 Cb -0.16 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1wgg s TYR 8 CO 0.03 0.54 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.81 1wgg s SER 9 N -3.07 4.12 0.42 2.29 0.01 -1.26 -2.11 113.70 114.10 1wgg s SER 9 Ca 0.27 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.80 1wgg s SER 9 Cb -0.08 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 1wgg s SER 9 CO 0.17 -0.09 0.05 0.68 0.41 0.00 0.00 173.24 174.46 1wgg s VAL 10 N 1.34 1.23 -0.14 3.43 -7.23 -1.22 0.29 120.40 118.10 1wgg s VAL 10 Ca 0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1wgg s VAL 10 Cb -0.16 -2.55 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 1wgg s VAL 10 CO -0.06 0.00 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.67 1wgg s THR 11 N -3.02 2.49 -0.26 5.32 2.01 -1.16 -2.93 115.64 118.09 1wgg s THR 11 Ca 0.24 -0.84 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 1wgg s THR 11 Cb 0.05 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1wgg s THR 11 CO 0.12 0.53 0.63 -0.69 -0.69 0.00 0.00 174.62 174.52 1wgg s VAL 12 N 0.70 4.97 -0.27 3.82 1.01 -0.23 0.21 120.40 130.61 1wgg s VAL 12 Ca -0.08 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.94 1wgg s VAL 12 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1wgg s VAL 12 CO 0.01 -0.00 0.05 -0.54 0.00 0.00 0.00 175.10 174.62 1wgg s LYS 13 N 2.53 3.20 -0.41 2.72 1.02 0.24 -0.83 119.74 128.21 1wgg s LYS 13 Ca 0.26 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.51 1wgg s LYS 13 Cb -0.15 -3.27 0.12 0.00 -0.52 0.00 0.00 37.83 34.00 1wgg s LYS 13 CO 0.09 -0.36 0.16 -0.46 -0.92 0.00 0.00 175.35 173.86 1wgg s TRP 14 N 1.50 2.94 0.00 3.18 -0.00 -0.77 0.42 118.94 126.21 1wgg s TRP 14 Ca 0.03 -2.77 0.00 0.00 -0.00 0.00 0.00 56.10 53.37 1wgg s TRP 14 Cb -0.16 -2.52 0.00 0.00 -0.00 0.00 0.00 33.47 30.79 1wgg s TRP 14 CO 0.01 -0.84 0.00 0.41 -0.00 0.00 0.00 176.95 176.53 1wgg n GLY 15 N 3.84 1.94 0.37 5.86 0.00 -1.26 0.18 105.19 116.12 1wgg n GLY 15 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1wgg n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wgg h LYS 16 N 0.00 0.59 -7.00 1.61 3.64 -1.99 -3.41 116.57 110.02 1wgg h LYS 16 Ca 0.00 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.84 1wgg h LYS 16 Cb 0.00 -0.13 0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1wgg h LYS 16 CO 0.00 0.39 0.49 -1.21 -2.27 0.00 0.00 179.45 176.85 1wgg s GLU 17 N -5.59 3.76 0.00 1.90 0.41 0.47 -5.04 118.70 114.61 1wgg s GLU 17 Ca -0.09 1.79 0.02 0.00 -0.41 0.00 0.00 54.97 56.28 1wgg s GLU 17 Cb 0.21 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 30.13 1wgg s GLU 17 CO 0.78 -0.55 -0.06 0.21 -0.49 0.00 0.00 175.26 175.14 1wgg s LYS 18 N -2.67 0.50 -0.14 1.61 2.20 -1.26 -1.85 119.74 118.14 1wgg s LYS 18 Ca 0.63 -0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.92 1wgg s LYS 18 Cb -0.29 -0.46 0.05 0.00 -1.51 0.00 0.00 37.83 35.61 1wgg s LYS 18 CO 0.35 0.12 0.04 -0.06 -0.36 0.00 0.00 175.35 175.45 1wgg s PHE 19 N -0.30 0.60 -0.16 4.03 0.08 -0.01 -4.97 117.98 117.24 1wgg s PHE 19 Ca 0.01 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1wgg s PHE 19 Cb -0.03 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1wgg s PHE 19 CO -0.00 -0.46 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.27 1wgg s GLU 20 N 2.00 3.10 0.00 0.44 2.02 -1.26 -1.07 118.70 123.93 1wgg s GLU 20 Ca 0.02 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1wgg s GLU 20 Cb -0.15 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1wgg s GLU 20 CO -0.07 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1wgg n GLY 21 N 4.31 0.65 3.78 -1.39 0.00 -1.26 -5.05 105.19 106.23 1wgg n GLY 21 Ca -0.20 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1wgg n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgg s VAL 22 N -1.01 5.33 0.03 1.61 1.01 -1.15 -5.05 120.40 121.18 1wgg s VAL 22 Ca 0.00 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 1wgg s VAL 22 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1wgg s VAL 22 CO 0.00 0.52 0.88 -1.61 0.00 0.00 0.00 175.10 174.89 1wgg s GLU 23 N -0.26 4.56 -0.03 2.72 2.02 -1.26 -3.42 118.70 123.04 1wgg s GLU 23 Ca 0.11 1.26 -0.02 0.00 0.02 0.00 0.00 54.97 56.33 1wgg s GLU 23 Cb -0.12 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.72 1wgg s GLU 23 CO 0.01 0.12 0.07 -1.17 0.02 0.00 0.00 175.26 174.31 1wgg s LEU 24 N 0.43 1.55 0.04 1.80 2.96 -0.89 -4.94 118.68 119.63 1wgg s LEU 24 Ca 0.45 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1wgg s LEU 24 Cb -0.21 0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 1wgg s LEU 24 CO 0.26 -0.05 -0.15 0.21 -1.32 0.00 0.00 176.35 175.30 1wgg s ASN 25 N 0.29 1.73 -0.21 3.68 2.47 -1.26 0.44 114.94 122.08 1wgg s ASN 25 Ca -0.02 -0.47 0.10 0.00 0.42 0.00 0.00 52.86 52.89 1wgg s ASN 25 Cb -0.03 -0.11 -0.22 0.00 -1.45 0.00 0.00 41.25 39.44 1wgg s ASN 25 CO -0.01 0.04 -0.00 0.35 -3.72 0.00 0.00 177.10 173.76 1wgg n THR 26 N 1.87 1.47 -0.51 -5.21 -2.24 -0.75 -4.26 114.28 104.65 1wgg n THR 26 Ca -0.18 -0.72 0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1wgg n THR 26 Cb 0.55 -0.96 0.72 0.00 -2.10 0.00 0.00 70.33 68.53 1wgg n THR 26 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1wgg h ASP 27 N 0.00 0.13 -5.72 3.42 3.58 -1.78 -3.39 116.42 112.65 1wgg h ASP 27 Ca -0.54 0.06 -0.37 0.00 0.42 0.00 0.00 57.03 56.60 1wgg h ASP 27 Cb 2.08 0.05 0.01 0.00 1.72 0.00 0.00 39.33 43.19 1wgg h ASP 27 CO -0.01 -0.07 -0.09 -0.62 -2.88 0.00 0.00 179.24 175.57 1wgg n GLU 28 N -4.33 0.76 -1.54 0.28 -0.58 -1.26 -5.12 120.64 108.85 1wgg n GLU 28 Ca 0.37 -2.36 -0.29 0.00 -0.42 0.00 0.00 57.16 54.46 1wgg n GLU 28 Cb 1.57 -0.06 0.14 0.00 -0.57 0.00 0.00 31.44 32.53 1wgg n GLU 28 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wgg s PRO 29 N -3.86 0.97 0.24 3.49 0.04 -1.26 -4.82 135.00 129.80 1wgg s PRO 29 Ca 0.39 0.22 0.11 0.00 0.04 0.00 0.00 61.00 61.76 1wgg s PRO 29 Cb -0.03 -1.83 0.22 0.00 0.04 0.00 0.00 34.50 32.90 1wgg s PRO 29 CO 0.25 -2.30 1.52 -1.00 0.04 0.00 0.00 177.00 175.51 1wgg h PRO 30 N -1.57 0.00 -0.72 0.56 0.13 -1.85 -3.25 132.00 125.30 1wgg h PRO 30 Ca -0.50 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.79 1wgg h PRO 30 Cb 1.32 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 1wgg h PRO 30 CO 0.59 0.69 0.10 0.52 -0.23 0.00 0.00 178.00 179.67 1wgg h MET 31 N 0.00 0.19 -0.53 0.86 2.86 -1.84 0.64 114.93 117.11 1wgg h MET 31 Ca -0.01 -0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.73 1wgg h MET 31 Cb 1.28 -0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.79 1wgg h MET 31 CO 0.09 0.12 -0.21 0.28 1.06 0.00 0.00 176.91 178.25 1wgg h VAL 32 N 0.19 0.34 -0.17 -2.22 2.07 -1.94 1.27 116.25 115.79 1wgg h VAL 32 Ca 0.40 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.97 1wgg h VAL 32 Cb 0.69 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1wgg h VAL 32 CO -0.56 0.00 0.17 0.15 0.02 0.00 0.00 177.57 177.35 1wgg h PHE 33 N -0.08 0.00 0.10 1.57 3.57 -1.06 0.43 116.94 121.46 1wgg h PHE 33 Ca 0.25 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.44 1wgg h PHE 33 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1wgg h PHE 33 CO -0.51 0.00 -1.57 0.87 -2.23 0.00 0.00 178.31 174.87 1wgg h LYS 34 N 0.00 0.20 0.00 1.11 1.79 0.14 -2.89 116.57 116.92 1wgg h LYS 34 Ca 0.08 -0.35 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 1wgg h LYS 34 Cb 0.42 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1wgg h LYS 34 CO -0.00 1.03 -0.06 0.00 -1.08 0.00 0.00 179.45 179.34 1wgg h ALA 35 N 0.55 1.42 0.00 3.86 0.00 0.32 -2.33 119.26 123.08 1wgg h ALA 35 Ca -0.25 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1wgg h ALA 35 Cb 2.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1wgg h ALA 35 CO 0.14 0.08 -0.40 0.37 0.00 0.00 0.00 179.25 179.45 1wgg h GLN 36 N 0.00 0.00 -0.86 0.00 4.15 -1.31 -3.29 115.11 113.80 1wgg h GLN 36 Ca -0.00 -0.01 0.25 0.00 0.77 0.00 0.00 58.65 59.66 1wgg h GLN 36 Cb 0.17 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1wgg h GLN 36 CO 0.01 1.00 0.75 -0.07 -1.93 0.00 0.00 178.83 178.59 1wgg h LEU 37 N -0.99 0.00 -0.30 -2.39 3.38 -1.25 0.43 115.31 114.19 1wgg h LEU 37 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wgg h LEU 37 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1wgg h LEU 37 CO -0.06 0.00 0.20 0.15 0.09 0.00 0.00 178.44 178.82 1wgg h PHE 38 N 0.00 0.38 -0.00 1.13 3.04 -1.50 0.35 116.94 120.34 1wgg h PHE 38 Ca 0.41 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1wgg h PHE 38 Cb 1.90 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 40.29 1wgg h PHE 38 CO 0.00 0.24 -0.02 0.00 -2.02 0.00 0.00 178.31 176.51 1wgg n ALA 39 N -2.18 2.52 -0.07 2.41 0.00 0.14 -0.68 120.51 122.66 1wgg n ALA 39 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1wgg n ALA 39 Cb 0.03 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 1wgg n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wgg h LEU 40 N 0.06 0.00 0.00 0.00 3.38 -0.06 -3.44 115.31 115.25 1wgg h LEU 40 Ca 0.00 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1wgg h LEU 40 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1wgg h LEU 40 CO 0.00 0.84 -0.91 0.35 0.09 0.00 0.00 178.44 178.81 1wgg n THR 41 N -4.65 1.28 0.00 0.22 -2.24 -0.04 -5.05 114.28 103.79 1wgg n THR 41 Ca -0.09 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1wgg n THR 41 Cb 0.30 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 1wgg n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wgg n GLY 42 N 2.21 0.62 3.76 3.38 0.00 0.15 -5.05 105.19 110.26 1wgg n GLY 42 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1wgg n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wgg s VAL 43 N 0.00 3.73 0.89 1.61 1.01 -1.26 -4.80 120.40 121.59 1wgg s VAL 43 Ca 0.00 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.50 1wgg s VAL 43 Cb 0.00 -3.98 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1wgg s VAL 43 CO 0.00 0.29 1.15 -1.10 0.00 0.00 0.00 175.10 175.44 1wgg s GLN 44 N -1.67 1.19 0.00 2.72 1.11 -1.26 -3.96 119.66 117.78 1wgg s GLN 44 Ca 0.47 1.55 0.17 0.00 0.01 0.00 0.00 55.36 57.56 1wgg s GLN 44 Cb -0.27 -1.75 1.02 0.00 -1.01 0.00 0.00 33.01 31.00 1wgg s GLN 44 CO 0.34 -2.51 1.50 -0.35 0.01 0.00 0.00 175.29 174.28 1wgg n PRO 45 N -4.06 0.75 -0.12 2.91 -0.04 -1.26 -0.92 135.00 132.26 1wgg n PRO 45 Ca 0.12 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1wgg n PRO 45 Cb 0.52 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 1wgg n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wgg n ALA 46 N -0.85 1.46 0.09 0.55 0.00 -1.26 -4.52 120.51 115.99 1wgg n ALA 46 Ca 0.13 -1.07 -0.19 0.00 0.00 0.00 0.00 53.44 52.32 1wgg n ALA 46 Cb 0.06 -0.08 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 1wgg n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgg h ARG 47 N 0.00 0.32 -5.30 0.00 3.08 -1.87 -3.43 114.38 107.19 1wgg h ARG 47 Ca -0.56 -0.55 -0.10 0.00 0.07 0.00 0.00 59.98 58.84 1wgg h ARG 47 Cb 1.87 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 32.10 1wgg h ARG 47 CO -0.09 1.22 0.49 1.04 -1.07 0.00 0.00 179.97 181.57 1wgg n GLN 48 N -3.54 0.49 -2.16 0.04 6.02 -0.10 -4.45 117.38 113.69 1wgg n GLN 48 Ca -0.15 -0.64 -0.32 0.00 -0.01 0.00 0.00 57.00 55.88 1wgg n GLN 48 Cb 1.05 -3.20 -0.04 0.00 1.02 0.00 0.00 30.24 29.07 1wgg n GLN 48 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wgg s LYS 49 N 8.57 2.79 -0.65 -1.09 2.20 0.68 -4.80 119.74 127.43 1wgg s LYS 49 Ca 1.01 -0.26 -0.24 0.00 -0.36 0.00 0.00 55.97 56.11 1wgg s LYS 49 Cb -0.27 -4.94 0.05 0.00 -1.51 0.00 0.00 37.83 31.16 1wgg s LYS 49 CO 0.18 -2.98 1.04 0.08 -0.36 0.00 0.00 175.35 173.31 1wgg s VAL 50 N 8.75 4.18 0.92 4.02 1.01 -1.26 -2.56 120.40 135.47 1wgg s VAL 50 Ca 0.63 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 1wgg s VAL 50 Cb -0.07 -4.71 0.14 0.00 0.00 0.00 0.00 36.38 31.75 1wgg s VAL 50 CO 0.03 -1.48 1.15 -0.04 0.00 0.00 0.00 175.10 174.76 1wgg s MET 51 N 4.47 1.06 0.10 2.72 -1.94 -0.64 -2.92 119.30 122.15 1wgg s MET 51 Ca 0.28 0.21 0.03 0.00 -1.71 0.00 0.00 55.69 54.50 1wgg s MET 51 Cb -0.14 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 1wgg s MET 51 CO 0.14 -2.24 -0.09 0.08 -0.01 0.00 0.00 175.02 172.90 1wgg s VAL 52 N -3.33 0.86 0.07 -6.03 1.01 0.59 -4.27 120.40 109.30 1wgg s VAL 52 Ca 0.65 -1.75 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1wgg s VAL 52 Cb -0.13 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.85 1wgg s VAL 52 CO 0.53 -0.67 0.49 1.17 0.00 0.00 0.00 175.10 176.62 1wgg n LYS 53 N 0.33 -0.08 -2.68 2.72 4.81 -1.26 -1.87 118.16 120.13 1wgg n LYS 53 Ca -0.15 0.49 -0.08 0.00 -0.87 0.00 0.00 58.31 57.71 1wgg n LYS 53 Cb 0.59 -0.73 0.07 0.00 0.02 0.00 0.00 35.03 34.98 1wgg n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wgg n GLY 54 N -1.15 1.46 0.00 3.14 0.00 -1.26 -5.12 105.19 102.27 1wgg n GLY 54 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1wgg n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wgg n GLY 55 N -0.32 -1.28 3.23 -0.02 0.00 -0.78 -5.16 105.19 100.86 1wgg n GLY 55 Ca 0.04 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 1wgg n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgg s THR 56 N -2.87 1.76 0.32 2.61 2.01 -1.26 0.22 115.64 118.42 1wgg s THR 56 Ca 0.00 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 1wgg s THR 56 Cb 0.00 -1.47 -0.10 0.00 0.01 0.00 0.00 72.50 70.94 1wgg s THR 56 CO 0.00 0.50 1.29 -0.22 -0.69 0.00 0.00 174.62 175.50 1wgg s LEU 57 N -0.39 4.44 0.00 4.42 0.20 -1.15 -4.92 118.68 121.27 1wgg s LEU 57 Ca 0.05 2.64 -0.03 0.00 0.69 0.00 0.00 54.13 57.48 1wgg s LEU 57 Cb -0.10 -3.64 0.04 0.00 -0.43 0.00 0.00 46.19 42.06 1wgg s LEU 57 CO 0.00 -0.50 0.19 0.29 -0.29 0.00 0.00 176.35 176.05 1wgg n LYS 58 N 0.95 -0.64 0.00 1.98 5.02 -1.26 -4.96 118.16 119.25 1wgg n LYS 58 Ca 0.00 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1wgg n LYS 58 Cb 0.42 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wgg n ASP 59 N -3.19 1.51 0.04 4.39 8.00 -1.26 -4.69 116.55 121.35 1wgg n ASP 59 Ca 0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 1wgg n ASP 59 Cb 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.11 1wgg n ASP 59 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wgg h ASP 60 N 0.00 -0.05 -4.71 -2.24 1.82 -2.00 -3.36 116.42 105.87 1wgg h ASP 60 Ca 0.00 -0.18 0.05 0.00 -0.39 0.00 0.00 57.03 56.51 1wgg h ASP 60 Cb 0.70 0.01 -0.16 0.00 0.68 0.00 0.00 39.33 40.56 1wgg h ASP 60 CO 0.00 0.15 0.39 -0.62 -1.61 0.00 0.00 179.24 177.55 1wgg s ASP 61 N -5.33 -0.45 0.10 2.28 2.15 -1.26 -4.74 116.67 109.42 1wgg s ASP 61 Ca -0.14 0.14 -0.20 0.00 0.43 0.00 0.00 52.55 52.77 1wgg s ASP 61 Cb 0.04 0.45 -0.09 0.00 -0.30 0.00 0.00 42.92 43.02 1wgg s ASP 61 CO 0.66 -0.67 1.70 -0.50 -0.17 0.00 0.00 175.17 176.19 1wgg h TRP 62 N 2.19 0.23 0.00 -5.34 4.06 -1.91 -3.41 115.95 111.78 1wgg h TRP 62 Ca -0.25 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 1wgg h TRP 62 Cb 1.24 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1wgg h TRP 62 CO 0.27 0.22 0.00 0.41 -3.56 0.00 0.00 178.44 175.78 1wgg n GLY 63 N -0.94 1.96 2.56 1.49 0.00 -1.26 -4.07 105.19 104.93 1wgg n GLY 63 Ca -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 1wgg n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wgg n ASN 64 N 3.96 -1.05 -4.78 1.61 5.15 -1.26 -5.15 115.26 113.74 1wgg n ASN 64 Ca 0.00 -1.61 -0.39 0.00 -0.60 0.00 0.00 54.58 51.99 1wgg n ASN 64 Cb 0.00 0.91 -0.06 0.00 -0.53 0.00 0.00 39.78 40.10 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wgg s ILE 65 N 0.03 4.36 -0.59 -1.44 1.01 -1.26 -5.00 121.20 118.31 1wgg s ILE 65 Ca 0.03 1.69 -0.27 0.00 0.00 0.00 0.00 60.65 62.10 1wgg s ILE 65 Cb 0.06 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.46 1wgg s ILE 65 CO -0.01 0.45 1.16 -0.54 0.00 0.00 0.00 174.94 175.99 1wgg s LYS 66 N -1.34 3.46 -0.05 2.79 -0.14 -1.26 -5.00 119.74 118.19 1wgg s LYS 66 Ca 0.38 0.12 -0.04 0.00 -1.36 0.00 0.00 55.97 55.07 1wgg s LYS 66 Cb -0.22 -4.04 -0.04 0.00 -1.68 0.00 0.00 37.83 31.85 1wgg s LYS 66 CO 0.26 -1.69 0.15 -1.64 -0.76 0.00 0.00 175.35 171.67 1wgg s MET 67 N 4.84 3.39 0.04 1.68 -1.94 -1.26 -5.02 119.30 121.02 1wgg s MET 67 Ca 0.40 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1wgg s MET 67 Cb -0.08 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.63 1wgg s MET 67 CO 0.23 0.71 -0.05 0.15 -0.01 0.00 0.00 175.02 176.06 1wgg s LYS 68 N -1.55 0.48 -0.52 2.03 1.02 -1.26 -5.11 119.74 114.83 1wgg s LYS 68 Ca 0.22 -0.81 -0.19 0.00 0.02 0.00 0.00 55.97 55.21 1wgg s LYS 68 Cb -0.12 -0.05 0.07 0.00 -0.52 0.00 0.00 37.83 37.21 1wgg s LYS 68 CO 0.12 -0.02 0.61 -0.80 -0.92 0.00 0.00 175.35 174.34 1wgg s ASN 69 N -1.85 6.20 0.00 2.83 0.01 -1.26 -3.89 114.94 116.98 1wgg s ASN 69 Ca -0.08 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 50.97 1wgg s ASN 69 Cb -0.06 -2.28 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1wgg s ASN 69 CO -0.02 -0.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.27 1wgg n GLY 70 N 5.20 1.28 1.21 0.66 0.00 0.15 -4.88 105.19 108.81 1wgg n GLY 70 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1wgg n GLY 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wgg n MET 71 N 0.00 -1.25 -4.65 1.61 0.00 -1.25 -4.74 117.12 106.83 1wgg n MET 71 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 57.70 57.10 1wgg n MET 71 Cb 0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 33.22 32.44 1wgg n MET 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1wgg s THR 72 N -1.20 1.13 -0.18 3.17 2.01 -1.26 -2.98 115.64 116.33 1wgg s THR 72 Ca 0.17 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 1wgg s THR 72 Cb -0.03 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1wgg s THR 72 CO 0.14 0.33 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 1wgg s VAL 73 N -0.15 3.40 -0.09 3.82 1.01 0.55 -4.76 120.40 124.18 1wgg s VAL 73 Ca 0.02 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1wgg s VAL 73 Cb -0.07 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1wgg s VAL 73 CO 0.00 0.46 0.44 -0.22 0.00 0.00 0.00 175.10 175.79 1wgg s LEU 74 N 0.94 4.32 -0.12 3.92 1.98 -1.26 0.82 118.68 129.29 1wgg s LEU 74 Ca -0.01 0.83 0.03 0.00 -2.89 0.00 0.00 54.13 52.09 1wgg s LEU 74 Cb -0.15 -2.64 0.01 0.00 0.66 0.00 0.00 46.19 44.07 1wgg s LEU 74 CO 0.00 0.09 -0.20 -0.32 -1.89 0.00 0.00 176.35 174.03 1wgg s MET 75 N 0.19 2.73 -0.09 1.98 -2.45 0.17 -1.61 119.30 120.21 1wgg s MET 75 Ca 0.24 -0.76 -0.00 0.00 -1.25 0.00 0.00 55.69 53.93 1wgg s MET 75 Cb -0.15 -2.18 0.02 0.00 1.25 0.00 0.00 34.83 33.77 1wgg s MET 75 CO 0.10 0.03 -0.07 -1.64 1.05 0.00 0.00 175.02 174.50 1wgg s MET 76 N 0.71 1.33 0.00 4.11 -1.94 -1.06 -4.22 119.30 118.24 1wgg s MET 76 Ca -0.11 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 1wgg s MET 76 Cb -0.16 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.29 1wgg s MET 76 CO 0.02 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 1wgg n GLY 77 N 4.72 1.68 3.63 -0.03 0.00 -1.26 -0.23 105.19 113.71 1wgg n GLY 77 Ca -0.14 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1wgg n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgg s SER 78 N 0.00 3.90 -0.46 1.61 0.15 -1.26 -4.96 113.70 112.67 1wgg s SER 78 Ca 0.00 -1.39 0.06 0.00 0.70 0.00 0.00 55.95 55.33 1wgg s SER 78 Cb 0.00 -0.34 0.22 0.00 -1.71 0.00 0.00 66.02 64.19 1wgg s SER 78 CO 0.00 -0.48 0.50 0.00 1.20 0.00 0.00 173.24 174.47 1wgg n ALA 79 N -0.99 2.89 -3.36 5.45 0.00 -1.26 -4.43 120.51 118.80 1wgg n ALA 79 Ca -0.06 -3.63 -0.41 0.00 0.00 0.00 0.00 53.44 49.34 1wgg n ALA 79 Cb 0.67 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 19.21 1wgg n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgg s ASP 80 N -1.06 5.74 -0.15 0.00 1.11 -1.26 -4.98 116.67 116.06 1wgg s ASP 80 Ca 0.34 -1.67 0.01 0.00 0.18 0.00 0.00 52.55 51.41 1wgg s ASP 80 Cb 0.11 -2.03 0.00 0.00 1.07 0.00 0.00 42.92 42.08 1wgg s ASP 80 CO -0.12 -0.63 -0.18 0.00 1.18 0.00 0.00 175.17 175.41 1wgg s ALA 81 N 1.43 2.38 -0.01 5.23 0.00 -1.26 -5.08 121.76 124.46 1wgg s ALA 81 Ca 0.04 -1.07 -0.37 0.00 0.00 0.00 0.00 51.96 50.56 1wgg s ALA 81 Cb -0.25 -1.12 -0.15 0.00 0.00 0.00 0.00 23.12 21.60 1wgg s ALA 81 CO 0.01 -0.04 1.53 1.28 0.00 0.00 0.00 175.76 178.55 1wgg n LEU 82 N 4.07 2.25 -4.80 0.00 4.77 -1.26 -4.93 117.00 117.11 1wgg n LEU 82 Ca -0.19 1.09 -0.30 0.00 -0.03 0.00 0.00 56.01 56.58 1wgg n LEU 82 Cb 0.52 -1.24 0.10 0.00 -2.33 0.00 0.00 43.42 40.47 1wgg n LEU 82 CO 0.28 -0.67 0.71 -2.16 -1.33 0.00 0.00 177.39 174.22 1wgg s PRO 83 N 1.65 1.81 0.60 3.23 0.04 -1.26 -4.88 135.00 136.19 1wgg s PRO 83 Ca 0.88 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1wgg s PRO 83 Cb -0.91 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.74 1wgg s PRO 83 CO 0.50 -1.79 0.00 -1.91 0.04 0.00 0.00 177.00 173.84 1wgg n GLU 84 N -3.53 -3.95 -2.71 4.56 0.00 -1.26 -4.96 120.64 108.79 1wgg n GLU 84 Ca 0.07 3.10 -0.01 0.00 0.00 0.00 0.00 57.16 60.32 1wgg n GLU 84 Cb 0.57 -4.00 -0.01 0.00 0.00 0.00 0.00 31.44 28.00 1wgg n GLU 84 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1wgg n GLU 85 N -3.03 -3.66 -0.90 5.31 2.13 -1.26 -4.74 120.64 114.49 1wgg n GLU 85 Ca -0.02 2.89 -0.22 0.00 0.66 0.00 0.00 57.16 60.47 1wgg n GLU 85 Cb 0.53 -5.21 -0.06 0.00 0.27 0.00 0.00 31.44 26.97 1wgg n GLU 85 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1wgg n PRO 86 N 0.94 2.33 -2.25 5.31 -0.04 -1.26 -4.72 135.00 135.31 1wgg n PRO 86 Ca -0.09 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1wgg n PRO 86 Cb 0.15 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1wgg n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgg n SER 87 N 3.46 -8.98 -4.69 3.54 7.64 -1.26 -4.80 113.62 108.53 1wgg n SER 87 Ca 0.50 1.67 -0.42 0.00 1.01 0.00 0.00 58.87 61.62 1wgg n SER 87 Cb 0.36 -5.06 -0.03 0.00 -1.01 0.00 0.00 64.21 58.48 1wgg n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgg s ALA 88 N -0.55 3.65 0.31 -0.43 0.00 -1.26 -5.00 121.76 118.48 1wgg s ALA 88 Ca 0.00 1.09 0.07 0.00 0.00 0.00 0.00 51.96 53.13 1wgg s ALA 88 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1wgg s ALA 88 CO 0.00 -1.08 0.27 0.21 0.00 0.00 0.00 175.76 175.16 1wgg s LYS 89 N 2.70 2.79 0.15 0.00 2.36 -1.26 -5.12 119.74 121.36 1wgg s LYS 89 Ca 0.71 -1.22 -0.07 0.00 -2.55 0.00 0.00 55.97 52.84 1wgg s LYS 89 Cb -0.37 -2.51 -0.06 0.00 -1.05 0.00 0.00 37.83 33.84 1wgg s LYS 89 CO 0.30 0.18 0.42 0.99 1.55 0.00 0.00 175.35 178.80 1wgg s THR 90 N -2.25 5.10 0.26 3.43 2.01 -1.26 -5.10 115.64 117.83 1wgg s THR 90 Ca 0.39 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.63 1wgg s THR 90 Cb -0.06 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1wgg s THR 90 CO 0.26 0.05 0.01 -0.44 -0.69 0.00 0.00 174.62 173.82 1wgg s SER 91 N -2.30 2.03 0.41 3.53 0.01 -1.26 -5.16 113.70 110.97 1wgg s SER 91 Ca 0.41 -1.27 -0.06 0.00 1.31 0.00 0.00 55.95 56.34 1wgg s SER 91 Cb -0.12 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1wgg s SER 91 CO 0.23 -0.54 0.72 -0.83 0.41 0.00 0.00 173.24 173.23 1wgg s GLY 92 N -3.37 1.69 0.00 3.44 0.00 -1.26 -5.06 107.32 102.76 1wgg s GLY 92 Ca 0.32 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1wgg s GLY 92 CO 0.11 -0.29 0.11 -1.55 0.00 0.00 0.00 173.10 171.48 1wgg n PRO 93 N -1.68 0.00 -3.11 2.90 -0.04 -1.26 -5.10 135.00 126.72 1wgg n PRO 93 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wgg n PRO 93 Cb 0.55 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 1wgg n PRO 93 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgg n SER 94 N -0.44 0.00 -4.92 3.54 7.64 -1.26 -5.17 113.62 113.01 1wgg n SER 94 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1wgg n SER 94 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 1wgg n SER 94 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wgg s SER 95 N -1.45 5.12 0.00 6.43 0.01 -1.26 -5.34 113.70 117.21 1wgg s SER 95 Ca 0.00 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.01 1wgg s SER 95 Cb 0.00 -0.48 0.03 0.00 0.21 0.00 0.00 66.02 65.78 1wgg s SER 95 CO 0.00 -1.26 0.62 0.61 0.41 0.00 0.00 173.24 173.62