#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 2.94 0.09 1.61 0.15 -1.26 -5.12 113.70 112.11 1wgg s SER 2 Ca 0.00 -1.93 0.03 0.00 0.70 0.00 0.00 55.95 54.75 1wgg s SER 2 Cb 0.00 -0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1wgg s SER 2 CO 0.00 -0.34 -0.09 -0.55 1.20 0.00 0.00 173.24 173.46 1wgg s SER 3 N 1.34 1.33 0.65 5.45 0.15 -1.26 -5.10 113.70 116.26 1wgg s SER 3 Ca 0.16 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1wgg s SER 3 Cb -0.21 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1wgg s SER 3 CO -0.08 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1wgg n GLY 4 N 0.50 -1.35 3.48 9.45 0.00 -1.26 -4.98 105.19 111.03 1wgg n GLY 4 Ca -0.16 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.74 1wgg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgg s SER 5 N -4.13 -0.28 0.00 1.61 0.15 -1.26 -5.06 113.70 104.73 1wgg s SER 5 Ca 0.00 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1wgg s SER 5 Cb 0.00 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1wgg s SER 5 CO 0.00 -0.06 0.00 -1.20 1.20 0.00 0.00 173.24 173.18 1wgg n SER 6 N 4.00 0.00 -3.97 5.45 7.64 -1.26 -5.10 113.62 120.38 1wgg n SER 6 Ca -0.13 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.18 1wgg n SER 6 Cb 0.56 0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 64.11 1wgg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 7 N -1.28 0.05 3.98 0.23 0.00 -1.26 -4.64 105.19 102.27 1wgg n GLY 7 Ca 0.00 0.92 -0.20 0.00 0.00 0.00 0.00 46.02 46.74 1wgg n GLY 7 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wgg s TYR 8 N 3.64 2.97 -0.19 1.61 1.51 0.37 -4.85 117.35 122.41 1wgg s TYR 8 Ca 0.97 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.94 1wgg s TYR 8 Cb -1.31 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 38.15 1wgg s TYR 8 CO 0.66 -0.49 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.33 1wgg s SER 9 N -4.31 3.24 0.41 2.29 0.01 -1.26 0.49 113.70 114.56 1wgg s SER 9 Ca 0.52 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1wgg s SER 9 Cb -0.10 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.73 1wgg s SER 9 CO 0.36 -0.06 0.08 1.33 0.41 0.00 0.00 173.24 175.36 1wgg n VAL 10 N 4.64 0.00 -4.06 3.43 0.24 -1.23 0.78 118.33 122.13 1wgg n VAL 10 Ca -0.18 -2.18 -0.24 0.00 -2.04 0.00 0.00 64.34 59.70 1wgg n VAL 10 Cb 0.49 0.64 -0.17 0.00 -1.47 0.00 0.00 33.84 33.32 1wgg n VAL 10 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wgg s THR 11 N -2.83 0.79 -0.10 3.34 2.01 -1.16 -3.70 115.64 113.98 1wgg s THR 11 Ca 0.11 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.71 1wgg s THR 11 Cb 0.01 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1wgg s THR 11 CO 0.08 0.31 0.57 -0.69 -0.69 0.00 0.00 174.62 174.20 1wgg s VAL 12 N 1.39 5.13 -0.29 3.82 1.01 -0.06 0.20 120.40 131.60 1wgg s VAL 12 Ca -0.02 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1wgg s VAL 12 Cb -0.13 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.38 1wgg s VAL 12 CO -0.03 0.29 -0.03 -0.75 0.00 0.00 0.00 175.10 174.58 1wgg s LYS 13 N 0.70 2.45 -0.46 2.72 2.20 0.71 -0.97 119.74 127.09 1wgg s LYS 13 Ca 0.31 -1.24 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 1wgg s LYS 13 Cb -0.16 -3.10 0.12 0.00 -1.51 0.00 0.00 37.83 33.19 1wgg s LYS 13 CO 0.13 -0.58 0.21 -0.46 -0.36 0.00 0.00 175.35 174.30 1wgg s TRP 14 N 1.23 3.47 0.00 4.03 -0.00 -0.68 -1.84 118.94 125.15 1wgg s TRP 14 Ca -0.05 -2.94 0.00 0.00 -0.00 0.00 0.00 56.10 53.11 1wgg s TRP 14 Cb -0.19 -2.98 0.00 0.00 -0.00 0.00 0.00 33.47 30.30 1wgg s TRP 14 CO -0.02 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.48 1wgg n GLY 15 N 3.76 2.31 0.33 5.86 0.00 -1.26 0.19 105.19 116.37 1wgg n GLY 15 Ca 0.04 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.47 -7.07 1.61 3.64 -2.01 -3.41 116.57 109.80 1wgg h LYS 16 Ca 0.00 -0.03 -0.49 0.00 -1.27 0.00 0.00 60.65 58.87 1wgg h LYS 16 Cb 0.00 -0.11 0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1wgg h LYS 16 CO 0.00 0.31 0.41 -1.21 -2.27 0.00 0.00 179.45 176.69 1wgg s GLU 17 N -5.45 3.62 -0.04 1.90 0.41 0.50 -5.06 118.70 114.59 1wgg s GLU 17 Ca -0.08 1.50 -0.04 0.00 -0.41 0.00 0.00 54.97 55.94 1wgg s GLU 17 Cb 0.19 -2.09 0.01 0.00 -1.78 0.00 0.00 34.13 30.46 1wgg s GLU 17 CO 0.74 -0.61 0.11 0.21 -0.49 0.00 0.00 175.26 175.22 1wgg s LYS 18 N -3.20 0.15 -0.18 1.61 2.20 -1.26 -1.69 119.74 117.37 1wgg s LYS 18 Ca 0.69 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 1wgg s LYS 18 Cb -0.20 0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.24 1wgg s LYS 18 CO 0.24 -0.02 0.04 -0.06 -0.36 0.00 0.00 175.35 175.18 1wgg s PHE 19 N -0.05 0.94 -0.17 4.03 0.08 -0.14 -4.98 117.98 117.69 1wgg s PHE 19 Ca -0.01 -0.76 0.01 0.00 0.12 0.00 0.00 56.93 56.29 1wgg s PHE 19 Cb -0.01 -0.99 0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1wgg s PHE 19 CO 0.00 -0.58 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.13 1wgg s GLU 20 N 1.89 2.90 0.00 0.44 2.02 -1.26 -0.89 118.70 123.80 1wgg s GLU 20 Ca -0.00 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1wgg s GLU 20 Cb -0.17 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1wgg s GLU 20 CO -0.08 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.45 1wgg n GLY 21 N 4.50 0.94 3.34 -1.39 0.00 -1.26 -5.08 105.19 106.25 1wgg n GLY 21 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.32 4.29 -0.12 1.61 1.01 -1.24 -5.05 120.40 119.58 1wgg s VAL 22 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1wgg s VAL 22 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1wgg s VAL 22 CO 0.00 -0.20 1.82 -1.61 0.00 0.00 0.00 175.10 175.10 1wgg s GLU 23 N 1.50 3.86 0.13 2.72 8.01 -1.26 -3.56 118.70 130.10 1wgg s GLU 23 Ca 0.01 2.09 0.05 0.00 0.01 0.00 0.00 54.97 57.12 1wgg s GLU 23 Cb -0.19 -4.11 -0.04 0.00 -4.31 0.00 0.00 34.13 25.48 1wgg s GLU 23 CO 0.05 -1.24 0.10 -1.17 0.01 0.00 0.00 175.26 173.01 1wgg s LEU 24 N 5.27 3.75 0.04 1.80 2.96 0.18 -4.96 118.68 127.72 1wgg s LEU 24 Ca 0.81 -0.11 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 1wgg s LEU 24 Cb -0.33 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1wgg s LEU 24 CO 0.33 0.11 -0.14 0.54 -1.32 0.00 0.00 176.35 175.88 1wgg s ASN 25 N -2.81 1.60 -0.18 3.68 2.20 -1.26 0.14 114.94 118.31 1wgg s ASN 25 Ca 0.30 -0.48 -0.01 0.00 -0.94 0.00 0.00 52.86 51.73 1wgg s ASN 25 Cb -0.11 -0.09 -0.11 0.00 -2.00 0.00 0.00 41.25 38.95 1wgg s ASN 25 CO 0.22 0.00 -0.17 0.35 -2.94 0.00 0.00 177.10 174.56 1wgg n THR 26 N 1.78 1.00 -0.21 0.54 -2.24 -1.26 -4.42 114.28 109.48 1wgg n THR 26 Ca -0.19 -0.36 0.30 0.00 -2.27 0.00 0.00 64.05 61.53 1wgg n THR 26 Cb 0.55 -1.24 0.58 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.13 0.00 -1.46 3.42 1.82 -1.96 -3.39 116.42 114.72 1wgg h ASP 27 Ca -0.41 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 55.75 1wgg h ASP 27 Cb 1.57 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.55 1wgg h ASP 27 CO -0.10 0.00 -0.35 -1.83 -1.61 0.00 0.00 179.24 175.34 1wgg s GLU 28 N -4.56 2.56 0.97 0.28 1.03 -1.26 -5.13 118.70 112.59 1wgg s GLU 28 Ca -0.03 -1.52 -0.14 0.00 0.03 0.00 0.00 54.97 53.30 1wgg s GLU 28 Cb 0.16 -2.42 0.18 0.00 -0.80 0.00 0.00 34.13 31.25 1wgg s GLU 28 CO 0.56 -0.23 1.17 -1.25 -1.33 0.00 0.00 175.26 174.18 1wgg s PRO 29 N -4.17 0.61 0.23 -4.83 0.04 -1.26 -4.75 135.00 120.87 1wgg s PRO 29 Ca 0.49 0.09 0.25 0.00 0.04 0.00 0.00 61.00 61.87 1wgg s PRO 29 Cb -0.04 -1.80 0.90 0.00 0.04 0.00 0.00 34.50 33.60 1wgg s PRO 29 CO 0.29 -2.52 1.75 -0.35 0.04 0.00 0.00 177.00 176.21 1wgg n PRO 30 N -3.95 0.22 0.27 0.56 -0.04 -1.26 -2.99 135.00 127.82 1wgg n PRO 30 Ca 0.09 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 1wgg n PRO 30 Cb 0.59 -1.83 0.70 0.00 -0.04 0.00 0.00 33.50 32.92 1wgg n PRO 30 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1wgg h MET 31 N 0.00 0.00 0.17 0.54 2.86 -1.84 -0.27 114.93 116.40 1wgg h MET 31 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wgg h MET 31 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1wgg h MET 31 CO 0.00 0.01 -0.08 0.28 1.06 0.00 0.00 176.91 178.18 1wgg h VAL 32 N 0.00 0.08 -0.94 -2.22 2.07 -1.91 -1.38 116.25 111.95 1wgg h VAL 32 Ca -0.00 -0.88 0.27 0.00 0.82 0.00 0.00 66.70 66.92 1wgg h VAL 32 Cb 0.03 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 1wgg h VAL 32 CO 0.00 0.02 0.68 0.15 0.02 0.00 0.00 177.57 178.44 1wgg h PHE 33 N -1.05 0.00 0.00 1.57 3.57 -1.65 1.51 116.94 120.89 1wgg h PHE 33 Ca -0.02 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1wgg h PHE 33 Cb 0.22 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1wgg h PHE 33 CO 0.01 0.00 -0.63 0.87 -2.23 0.00 0.00 178.31 176.33 1wgg h LYS 34 N 0.00 0.00 -0.07 1.11 1.57 -1.10 -3.04 116.57 115.04 1wgg h LYS 34 Ca 0.45 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.09 1wgg h LYS 34 Cb 1.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 1wgg h LYS 34 CO -0.01 0.19 -0.57 0.00 -0.57 0.00 0.00 179.45 178.50 1wgg h ALA 35 N 1.76 0.90 -0.02 3.86 0.00 0.33 -2.65 119.26 123.44 1wgg h ALA 35 Ca -0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1wgg h ALA 35 Cb 1.21 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wgg h ALA 35 CO 0.03 0.70 -0.48 0.37 0.00 0.00 0.00 179.25 179.87 1wgg h GLN 36 N 0.18 0.37 -0.61 0.00 4.15 -1.24 -3.14 115.11 114.81 1wgg h GLN 36 Ca -0.00 -0.36 0.13 0.00 0.77 0.00 0.00 58.65 59.19 1wgg h GLN 36 Cb 1.05 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1wgg h GLN 36 CO 0.09 1.03 0.42 -0.07 -1.93 0.00 0.00 178.83 178.37 1wgg h LEU 37 N -0.16 0.22 -1.76 -2.39 3.38 -1.49 0.30 115.31 113.41 1wgg h LEU 37 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wgg h LEU 37 Cb 1.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1wgg h LEU 37 CO 0.10 0.12 0.17 0.15 0.09 0.00 0.00 178.44 179.07 1wgg h PHE 38 N 0.24 0.31 -0.01 1.13 3.57 -1.42 0.17 116.94 120.94 1wgg h PHE 38 Ca 0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1wgg h PHE 38 Cb 0.82 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1wgg h PHE 38 CO -0.00 0.20 -0.36 0.00 -2.23 0.00 0.00 178.31 175.92 1wgg n ALA 39 N -2.50 3.29 -0.07 2.41 0.00 0.95 -1.45 120.51 123.15 1wgg n ALA 39 Ca 0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 53.44 52.92 1wgg n ALA 39 Cb 0.08 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 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 1.15 0.00 0.00 0.00 3.38 0.32 -3.43 115.31 116.73 1wgg h LEU 40 Ca 0.00 -0.59 -0.23 0.00 0.09 0.00 0.00 57.88 57.14 1wgg h LEU 40 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1wgg h LEU 40 CO 0.00 0.85 -1.78 0.35 0.09 0.00 0.00 178.44 177.95 1wgg n THR 41 N -4.66 0.77 0.00 0.22 -2.24 -0.65 -5.04 114.28 102.68 1wgg n THR 41 Ca -0.08 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1wgg n THR 41 Cb 0.32 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 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 0.34 3.68 3.38 0.00 -0.53 -5.00 105.19 109.26 1wgg n GLY 42 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.93 4.50 0.75 1.61 1.01 -1.25 -4.73 120.40 121.35 1wgg s VAL 43 Ca 0.00 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 1wgg s VAL 43 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1wgg s VAL 43 CO 0.00 -0.06 0.55 0.00 0.00 0.00 0.00 175.10 175.59 1wgg n GLN 44 N 5.61 0.24 0.00 2.72 3.00 -1.26 -3.98 117.38 123.71 1wgg n GLN 44 Ca 0.11 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1wgg n GLN 44 Cb 0.47 -1.87 0.00 0.00 0.00 0.00 0.00 30.24 28.84 1wgg n GLN 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1wgg n PRO 45 N -0.95 0.75 0.00 -1.09 -0.04 -1.26 -1.65 135.00 130.76 1wgg n PRO 45 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1wgg n PRO 45 Cb 0.50 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.42 2.21 -0.01 0.55 0.00 -1.26 -4.70 120.51 116.88 1wgg n ALA 46 Ca 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 53.44 52.78 1wgg n ALA 46 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 1wgg n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wgg n ARG 47 N -0.16 0.15 -1.95 0.00 5.12 -0.66 -5.00 116.66 114.15 1wgg n ARG 47 Ca 0.00 0.01 -0.42 0.00 -1.93 0.00 0.00 57.85 55.51 1wgg n ARG 47 Cb 0.10 -1.04 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 1wgg n ARG 47 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wgg s GLN 48 N -2.04 4.19 -0.87 5.56 -2.07 -0.87 -4.55 119.66 119.02 1wgg s GLN 48 Ca -0.02 2.28 -0.17 0.00 -1.82 0.00 0.00 55.36 55.63 1wgg s GLN 48 Cb 0.01 -3.77 0.17 0.00 -1.09 0.00 0.00 33.01 28.32 1wgg s GLN 48 CO 0.04 -0.78 0.96 0.21 -1.32 0.00 0.00 175.29 174.40 1wgg s LYS 49 N 3.23 3.58 -0.63 9.60 2.20 0.11 -4.83 119.74 132.99 1wgg s LYS 49 Ca 0.74 -2.03 -0.27 0.00 -0.36 0.00 0.00 55.97 54.06 1wgg s LYS 49 Cb -0.37 -4.68 0.03 0.00 -1.51 0.00 0.00 37.83 31.30 1wgg s LYS 49 CO 0.32 -1.56 1.17 0.08 -0.36 0.00 0.00 175.35 174.99 1wgg s VAL 50 N 1.65 4.00 0.85 4.02 1.01 -1.25 -3.03 120.40 127.65 1wgg s VAL 50 Ca 0.26 0.58 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 1wgg s VAL 50 Cb -0.08 -4.76 0.10 0.00 0.00 0.00 0.00 36.38 31.65 1wgg s VAL 50 CO -0.08 -1.48 1.19 -0.04 0.00 0.00 0.00 175.10 174.68 1wgg s MET 51 N 5.00 1.65 0.11 2.72 -1.94 -0.83 -0.50 119.30 125.52 1wgg s MET 51 Ca 0.37 0.08 0.04 0.00 -1.71 0.00 0.00 55.69 54.47 1wgg s MET 51 Cb -0.09 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 1wgg s MET 51 CO 0.20 -1.80 -0.10 0.08 -0.01 0.00 0.00 175.02 173.39 1wgg s VAL 52 N -3.56 1.00 0.31 -6.03 1.01 0.53 -4.39 120.40 109.27 1wgg s VAL 52 Ca 0.64 -1.74 0.22 0.00 0.00 0.00 0.00 61.98 61.10 1wgg s VAL 52 Cb -0.11 -1.48 0.34 0.00 0.00 0.00 0.00 36.38 35.13 1wgg s VAL 52 CO 0.50 -0.60 1.15 0.29 0.00 0.00 0.00 175.10 176.45 1wgg n LYS 53 N 0.39 -0.03 -2.68 2.72 5.02 -1.26 -2.01 118.16 120.31 1wgg n LYS 53 Ca -0.15 0.95 -0.02 0.00 -2.02 0.00 0.00 58.31 57.07 1wgg n LYS 53 Cb 0.58 -1.82 0.13 0.00 -0.02 0.00 0.00 35.03 33.90 1wgg n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wgg n GLY 54 N -1.33 2.00 0.00 0.72 0.00 -1.26 -5.14 105.19 100.18 1wgg n GLY 54 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.47 1.27 3.18 -0.02 0.00 -0.85 -5.17 105.19 102.14 1wgg n GLY 55 Ca -0.16 -0.83 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.45 1.43 -0.29 2.61 2.01 -1.26 0.20 115.64 117.89 1wgg s THR 56 Ca 0.00 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.89 1wgg s THR 56 Cb 0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1wgg s THR 56 CO 0.00 0.36 2.02 -0.22 -0.69 0.00 0.00 174.62 176.09 1wgg s LEU 57 N -0.54 3.46 0.00 4.42 0.20 0.35 -4.88 118.68 121.69 1wgg s LEU 57 Ca 0.07 1.55 -0.00 0.00 0.69 0.00 0.00 54.13 56.44 1wgg s LEU 57 Cb -0.07 -3.45 0.00 0.00 -0.43 0.00 0.00 46.19 42.24 1wgg s LEU 57 CO -0.00 -1.89 0.00 0.29 -0.29 0.00 0.00 176.35 174.46 1wgg n LYS 58 N 8.63 -1.96 0.00 1.98 5.02 -1.26 -4.86 118.16 125.71 1wgg n LYS 58 Ca 0.27 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1wgg n LYS 58 Cb 0.46 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 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 -2.97 0.20 -0.01 4.39 8.00 -1.26 -4.63 116.55 120.28 1wgg n ASP 59 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1wgg n ASP 59 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1wgg n ASP 59 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wgg h ASP 60 N 0.00 0.14 -4.27 -2.24 3.32 -1.99 -3.33 116.42 108.04 1wgg h ASP 60 Ca 0.00 -0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.14 1wgg h ASP 60 Cb 0.49 -0.03 -0.20 0.00 0.22 0.00 0.00 39.33 39.81 1wgg h ASP 60 CO 0.00 0.14 0.60 -1.81 -1.72 0.00 0.00 179.24 176.45 1wgg s ASP 61 N -5.35 -0.31 0.09 6.45 1.01 -1.26 -4.75 116.67 112.55 1wgg s ASP 61 Ca -0.13 0.17 -0.26 0.00 0.71 0.00 0.00 52.55 53.04 1wgg s ASP 61 Cb 0.07 0.29 -0.15 0.00 1.01 0.00 0.00 42.92 44.14 1wgg s ASP 61 CO 0.68 -0.40 1.70 -0.50 0.21 0.00 0.00 175.17 176.86 1wgg h TRP 62 N 2.23 -0.26 0.00 4.23 4.06 -1.90 -3.42 115.95 120.89 1wgg h TRP 62 Ca -0.17 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1wgg h TRP 62 Cb 1.19 0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 1wgg h TRP 62 CO 0.27 -0.16 0.00 0.41 -3.56 0.00 0.00 178.44 175.40 1wgg n GLY 63 N -1.21 0.93 2.59 1.49 0.00 -1.26 -4.30 105.19 103.42 1wgg n GLY 63 Ca -0.09 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1wgg n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wgg n ASN 64 N 0.13 1.65 -4.79 1.61 4.13 -1.26 -5.09 115.26 111.63 1wgg n ASN 64 Ca 0.00 -2.84 -0.39 0.00 1.68 0.00 0.00 54.58 53.03 1wgg n ASN 64 Cb 0.00 -0.54 -0.06 0.00 -1.54 0.00 0.00 39.78 37.64 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1wgg s ILE 65 N -3.23 4.66 -1.16 2.41 1.01 -1.26 -4.99 121.20 118.64 1wgg s ILE 65 Ca 0.31 1.38 -0.16 0.00 0.00 0.00 0.00 60.65 62.17 1wgg s ILE 65 Cb 0.44 -3.98 0.13 0.00 0.01 0.00 0.00 42.46 39.06 1wgg s ILE 65 CO 0.00 0.52 1.44 -0.54 0.00 0.00 0.00 174.94 176.36 1wgg s LYS 66 N -0.94 3.94 0.40 2.79 -0.14 -1.26 -4.99 119.74 119.53 1wgg s LYS 66 Ca 0.32 -2.19 -0.14 0.00 -1.36 0.00 0.00 55.97 52.60 1wgg s LYS 66 Cb -0.20 -5.15 -0.08 0.00 -1.68 0.00 0.00 37.83 30.72 1wgg s LYS 66 CO 0.21 -1.90 0.81 -1.64 -0.76 0.00 0.00 175.35 172.07 1wgg s MET 67 N 2.59 3.91 0.07 1.68 -1.94 -1.26 -5.06 119.30 119.29 1wgg s MET 67 Ca 0.43 0.66 -0.14 0.00 -1.71 0.00 0.00 55.69 54.93 1wgg s MET 67 Cb -0.02 -2.34 0.02 0.00 2.01 0.00 0.00 34.83 34.50 1wgg s MET 67 CO -0.01 -0.01 0.32 -1.59 -0.01 0.00 0.00 175.02 173.72 1wgg s LYS 68 N -3.56 0.89 -0.23 2.03 -2.85 -1.26 -5.13 119.74 109.62 1wgg s LYS 68 Ca 0.54 -0.59 -0.21 0.00 -1.00 0.00 0.00 55.97 54.71 1wgg s LYS 68 Cb -0.10 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 1wgg s LYS 68 CO 0.25 -0.30 0.67 0.54 0.10 0.00 0.00 175.35 176.61 1wgg s ASN 69 N -2.33 6.67 0.00 0.03 2.20 -1.26 -3.75 114.94 116.49 1wgg s ASN 69 Ca -0.02 0.82 0.00 0.00 -0.94 0.00 0.00 52.86 52.72 1wgg s ASN 69 Cb 0.01 -2.36 0.00 0.00 -2.00 0.00 0.00 41.25 36.89 1wgg s ASN 69 CO -0.06 -0.37 0.00 0.61 -2.94 0.00 0.00 177.10 174.34 1wgg n GLY 70 N 3.96 1.09 1.81 0.45 0.00 0.23 -4.89 105.19 107.85 1wgg n GLY 70 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.09 -4.53 1.61 0.00 -1.25 -4.77 117.12 106.10 1wgg n MET 71 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 57.70 56.86 1wgg n MET 71 Cb 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 33.22 32.09 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 -1.51 0.99 -0.26 3.17 2.01 -1.26 -3.01 115.64 115.77 1wgg s THR 72 Ca 0.28 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.75 1wgg s THR 72 Cb -0.05 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1wgg s THR 72 CO 0.24 0.30 0.08 -0.69 -0.69 0.00 0.00 174.62 173.86 1wgg s VAL 73 N 0.24 4.34 -0.20 3.82 1.01 0.53 -4.84 120.40 125.30 1wgg s VAL 73 Ca -0.05 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 1wgg s VAL 73 Cb -0.10 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 1wgg s VAL 73 CO 0.01 0.31 0.52 -0.22 0.00 0.00 0.00 175.10 175.72 1wgg s LEU 74 N 1.61 4.14 -0.17 3.92 1.98 -1.26 -0.21 118.68 128.70 1wgg s LEU 74 Ca 0.06 0.68 -0.01 0.00 -2.89 0.00 0.00 54.13 51.97 1wgg s LEU 74 Cb -0.15 -2.71 -0.00 0.00 0.66 0.00 0.00 46.19 43.98 1wgg s LEU 74 CO 0.04 -0.19 -0.12 -0.32 -1.89 0.00 0.00 176.35 173.87 1wgg s MET 75 N 1.67 3.28 -0.09 1.98 1.75 -0.76 -1.96 119.30 125.18 1wgg s MET 75 Ca 0.24 -0.71 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1wgg s MET 75 Cb -0.15 -2.72 0.01 0.00 2.84 0.00 0.00 34.83 34.80 1wgg s MET 75 CO 0.10 -0.01 -0.19 -1.64 -0.65 0.00 0.00 175.02 172.63 1wgg s MET 76 N 0.90 2.47 0.00 4.11 -1.94 -1.17 -4.49 119.30 119.18 1wgg s MET 76 Ca -0.03 -0.68 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 1wgg s MET 76 Cb -0.15 -1.93 0.00 0.00 2.01 0.00 0.00 34.83 34.76 1wgg s MET 76 CO -0.01 0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 1wgg n GLY 77 N 3.69 -2.35 3.29 -0.03 0.00 -1.26 0.05 105.19 108.58 1wgg n GLY 77 Ca -0.21 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1wgg n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgg s SER 78 N -0.93 -0.53 -1.07 1.61 1.04 -1.26 -5.04 113.70 107.52 1wgg s SER 78 Ca 0.00 0.92 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 1wgg s SER 78 Cb 0.00 0.80 -0.14 0.00 0.10 0.00 0.00 66.02 66.78 1wgg s SER 78 CO 0.00 -0.19 3.16 0.00 0.98 0.00 0.00 173.24 177.18 1wgg n ALA 79 N 4.22 7.15 -2.14 5.32 0.00 -1.26 -4.48 120.51 129.31 1wgg n ALA 79 Ca -0.23 -2.99 -0.16 0.00 0.00 0.00 0.00 53.44 50.05 1wgg n ALA 79 Cb 0.55 -2.99 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 1wgg n ALA 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1wgg n ASP 80 N 3.11 -4.71 -1.16 0.00 2.03 -1.26 -4.57 116.55 109.99 1wgg n ASP 80 Ca 0.66 0.19 0.15 0.00 0.52 0.00 0.00 54.79 56.31 1wgg n ASP 80 Cb 0.46 -4.04 -0.05 0.00 -0.72 0.00 0.00 41.12 36.77 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgg n ALA 81 N -1.23 -3.03 -1.30 -1.67 0.00 -1.26 -4.81 120.51 107.21 1wgg n ALA 81 Ca -0.19 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 1wgg n ALA 81 Cb 0.62 -1.13 0.11 0.00 0.00 0.00 0.00 19.45 19.04 1wgg n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgg n LEU 82 N -3.87 4.61 -4.55 0.00 4.77 -1.26 -4.86 117.00 111.84 1wgg n LEU 82 Ca -0.02 0.66 -0.40 0.00 -0.03 0.00 0.00 56.01 56.22 1wgg n LEU 82 Cb 0.54 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1wgg n LEU 82 CO 0.02 -1.60 1.38 -2.16 -1.33 0.00 0.00 177.39 173.70 1wgg s PRO 83 N -3.78 2.92 -0.02 3.23 0.04 -1.26 -4.97 135.00 131.15 1wgg s PRO 83 Ca 0.76 0.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 1wgg s PRO 83 Cb -0.32 -4.30 -0.03 0.00 0.04 0.00 0.00 34.50 29.89 1wgg s PRO 83 CO 0.48 -2.44 1.05 -1.21 0.04 0.00 0.00 177.00 174.92 1wgg s GLU 84 N 6.37 4.48 0.56 4.56 0.41 -1.26 -4.98 118.70 128.83 1wgg s GLU 84 Ca 0.51 1.50 -0.18 0.00 -0.41 0.00 0.00 54.97 56.39 1wgg s GLU 84 Cb -0.10 -3.47 -0.13 0.00 -1.78 0.00 0.00 34.13 28.65 1wgg s GLU 84 CO 0.17 -0.20 0.04 0.39 -0.49 0.00 0.00 175.26 175.18 1wgg n GLU 85 N 4.33 0.15 -1.53 1.61 1.02 -1.26 -4.71 120.64 120.26 1wgg n GLU 85 Ca 0.08 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 1wgg n GLU 85 Cb 0.49 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 1wgg n GLU 85 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wgg n PRO 86 N 1.03 2.16 -3.85 3.49 -0.04 -1.26 -4.80 135.00 131.73 1wgg n PRO 86 Ca 0.08 -2.28 -0.32 0.00 -0.04 0.00 0.00 63.50 60.95 1wgg n PRO 86 Cb 0.48 -3.15 -0.12 0.00 -0.04 0.00 0.00 33.50 30.67 1wgg n PRO 86 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgg s SER 87 N 4.29 4.79 -0.38 3.54 0.01 -1.26 -4.75 113.70 119.95 1wgg s SER 87 Ca 0.54 -3.18 -0.03 0.00 1.31 0.00 0.00 55.95 54.59 1wgg s SER 87 Cb 0.13 -1.72 0.23 0.00 0.21 0.00 0.00 66.02 64.86 1wgg s SER 87 CO 0.03 -0.24 1.07 0.00 0.41 0.00 0.00 173.24 174.51 1wgg n ALA 88 N 2.94 -3.26 -3.21 1.44 0.00 -1.26 -5.00 120.51 112.16 1wgg n ALA 88 Ca 0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1wgg n ALA 88 Cb 0.34 -2.86 0.02 0.00 0.00 0.00 0.00 19.45 16.96 1wgg n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wgg n LYS 89 N 2.29 -1.58 -1.60 0.00 5.02 -1.26 -4.89 118.16 116.14 1wgg n LYS 89 Ca 0.10 1.20 -0.38 0.00 -2.02 0.00 0.00 58.31 57.20 1wgg n LYS 89 Cb 0.65 -5.42 0.04 0.00 -0.02 0.00 0.00 35.03 30.28 1wgg n LYS 89 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wgg n THR 90 N -2.41 3.23 -4.58 -0.18 5.66 -1.26 -5.01 114.28 109.73 1wgg n THR 90 Ca -0.05 -0.50 -0.25 0.00 -3.05 0.00 0.00 64.05 60.20 1wgg n THR 90 Cb 0.55 -1.09 -0.14 0.00 -1.55 0.00 0.00 70.33 68.10 1wgg n THR 90 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wgg s SER 91 N -1.13 2.45 0.00 1.09 1.04 -1.26 -5.05 113.70 110.84 1wgg s SER 91 Ca 0.72 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1wgg s SER 91 Cb -0.45 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1wgg s SER 91 CO 0.50 0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.47 1wgg n GLY 92 N 1.74 -1.84 0.09 7.32 0.00 -1.26 -5.07 105.19 106.17 1wgg n GLY 92 Ca -0.18 0.81 -0.12 0.00 0.00 0.00 0.00 46.02 46.54 1wgg n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg h PRO 93 N 0.00 -0.07 -5.22 1.61 0.13 -2.05 -3.49 132.00 122.90 1wgg h PRO 93 Ca 0.00 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1wgg h PRO 93 Cb 0.00 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.07 1wgg h PRO 93 CO 0.00 0.53 -1.26 0.45 -0.23 0.00 0.00 178.00 177.49 1wgg n SER 94 N -4.79 -3.73 -3.38 1.44 2.88 -1.26 -5.04 113.62 99.74 1wgg n SER 94 Ca -0.08 1.31 -0.12 0.00 -1.33 0.00 0.00 58.87 58.64 1wgg n SER 94 Cb 0.32 -4.82 -0.09 0.00 -0.75 0.00 0.00 64.21 58.87 1wgg n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgg s SER 95 N -0.95 0.68 0.00 -3.46 0.01 -1.26 -5.35 113.70 103.37 1wgg s SER 95 Ca -0.16 -0.05 0.09 0.00 1.31 0.00 0.00 55.95 57.14 1wgg s SER 95 Cb 0.01 0.88 0.07 0.00 0.21 0.00 0.00 66.02 67.19 1wgg s SER 95 CO 0.69 -0.32 0.80 0.61 0.41 0.00 0.00 173.24 175.43