#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 -0.26 0.51 1.61 0.15 -1.26 -5.14 113.70 109.32 1wgg s SER 2 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wgg s SER 2 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1wgg s SER 2 CO 0.00 -0.98 0.00 -1.20 1.20 0.00 0.00 173.24 172.26 1wgg n SER 3 N -0.30 -8.81 -4.69 5.45 7.64 -1.26 -4.72 113.62 106.93 1wgg n SER 3 Ca -0.12 1.09 -0.44 0.00 1.01 0.00 0.00 58.87 60.42 1wgg n SER 3 Cb 0.63 -4.80 -0.02 0.00 -1.01 0.00 0.00 64.21 59.01 1wgg n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 4 N -4.36 0.73 3.90 0.23 0.00 -1.26 -4.98 105.19 99.45 1wgg n GLY 4 Ca -0.04 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 1wgg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg s SER 5 N 0.07 6.42 -0.32 1.61 0.01 -1.26 -5.04 113.70 115.19 1wgg s SER 5 Ca 0.63 0.44 -0.10 0.00 1.31 0.00 0.00 55.95 58.23 1wgg s SER 5 Cb -0.61 -2.04 0.20 0.00 0.21 0.00 0.00 66.02 63.79 1wgg s SER 5 CO 0.54 0.26 1.12 -0.44 0.41 0.00 0.00 173.24 175.13 1wgg s SER 6 N -1.83 -0.16 -0.06 2.44 0.01 -1.26 -4.98 113.70 107.86 1wgg s SER 6 Ca 0.27 -0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.39 1wgg s SER 6 Cb -0.13 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.34 1wgg s SER 6 CO 0.17 -0.01 -0.03 -0.83 0.41 0.00 0.00 173.24 172.96 1wgg s GLY 7 N 1.49 0.50 0.39 3.44 0.00 -1.26 -2.72 107.32 109.15 1wgg s GLY 7 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.85 1wgg s GLY 7 CO -0.14 0.79 0.14 -0.19 0.00 0.00 0.00 173.10 173.71 1wgg s TYR 8 N 1.47 2.61 0.08 1.90 1.51 0.48 -4.95 117.35 120.46 1wgg s TYR 8 Ca -0.02 -0.53 0.09 0.00 -1.01 0.00 0.00 57.07 55.59 1wgg s TYR 8 Cb -0.13 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1wgg s TYR 8 CO -0.03 0.27 -0.21 0.45 -1.11 0.00 0.00 175.55 174.91 1wgg s SER 9 N -3.86 3.61 0.37 2.29 0.15 -1.26 0.43 113.70 115.43 1wgg s SER 9 Ca 0.39 -0.56 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 1wgg s SER 9 Cb 0.02 -0.46 0.05 0.00 -1.71 0.00 0.00 66.02 63.92 1wgg s SER 9 CO 0.22 0.22 0.70 1.33 1.20 0.00 0.00 173.24 176.91 1wgg n VAL 10 N 1.27 0.00 -3.94 4.45 0.24 -1.16 -2.02 118.33 117.16 1wgg n VAL 10 Ca -0.16 -1.10 -0.20 0.00 -2.04 0.00 0.00 64.34 60.83 1wgg n VAL 10 Cb 0.52 0.97 -0.17 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.28 0.37 -0.18 3.34 2.01 -1.10 -3.20 115.64 114.59 1wgg s THR 11 Ca 0.18 0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 1wgg s THR 11 Cb -0.04 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1wgg s THR 11 CO 0.13 0.22 0.65 -0.69 -0.69 0.00 0.00 174.62 174.24 1wgg s VAL 12 N 1.38 5.02 -0.30 3.82 1.01 -0.45 0.22 120.40 131.10 1wgg s VAL 12 Ca -0.04 1.24 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 1wgg s VAL 12 Cb -0.13 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.33 1wgg s VAL 12 CO -0.02 0.12 -0.00 -0.54 0.00 0.00 0.00 175.10 174.66 1wgg s LYS 13 N 1.79 2.39 -0.47 2.72 1.02 -0.08 -0.46 119.74 126.66 1wgg s LYS 13 Ca 0.30 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 55.01 1wgg s LYS 13 Cb -0.16 -3.17 0.12 0.00 -0.52 0.00 0.00 37.83 34.11 1wgg s LYS 13 CO 0.11 -0.63 0.23 -0.46 -0.92 0.00 0.00 175.35 173.68 1wgg s TRP 14 N 1.23 3.48 0.00 3.18 -0.00 -0.51 -2.37 118.94 123.96 1wgg s TRP 14 Ca -0.05 -2.87 0.00 0.00 -0.00 0.00 0.00 56.10 53.18 1wgg s TRP 14 Cb -0.20 -3.02 0.00 0.00 -0.00 0.00 0.00 33.47 30.25 1wgg s TRP 14 CO -0.02 -0.87 0.00 0.41 -0.00 0.00 0.00 176.95 176.47 1wgg n GLY 15 N 3.83 2.15 0.38 5.86 0.00 -1.26 0.18 105.19 116.33 1wgg n GLY 15 Ca 0.04 -0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1wgg n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgg h LYS 16 N 0.00 0.57 -6.98 1.61 1.57 -2.02 -3.40 116.57 107.92 1wgg h LYS 16 Ca 0.00 -0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 58.25 1wgg h LYS 16 Cb 0.00 -0.13 0.05 0.00 0.08 0.00 0.00 32.23 32.23 1wgg h LYS 16 CO 0.00 0.38 0.47 -1.21 -0.57 0.00 0.00 179.45 178.51 1wgg s GLU 17 N -5.61 3.92 -0.05 3.15 0.41 0.49 -5.05 118.70 115.96 1wgg s GLU 17 Ca -0.09 1.71 -0.04 0.00 -0.41 0.00 0.00 54.97 56.14 1wgg s GLU 17 Cb 0.23 -2.49 0.02 0.00 -1.78 0.00 0.00 34.13 30.11 1wgg s GLU 17 CO 0.79 -0.40 0.13 0.21 -0.49 0.00 0.00 175.26 175.50 1wgg s LYS 18 N -2.57 0.13 -0.20 1.61 2.20 -1.26 -1.42 119.74 118.23 1wgg s LYS 18 Ca 0.61 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 56.42 1wgg s LYS 18 Cb -0.27 0.01 0.06 0.00 -1.51 0.00 0.00 37.83 36.11 1wgg s LYS 18 CO 0.33 -0.05 0.00 -0.06 -0.36 0.00 0.00 175.35 175.21 1wgg s PHE 19 N 0.35 1.44 -0.19 4.03 0.08 0.40 -4.98 117.98 119.11 1wgg s PHE 19 Ca -0.02 -1.09 -0.01 0.00 0.12 0.00 0.00 56.93 55.92 1wgg s PHE 19 Cb -0.04 -1.19 -0.00 0.00 -0.57 0.00 0.00 43.02 41.22 1wgg s PHE 19 CO -0.01 -0.64 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.14 1wgg s GLU 20 N 1.72 3.25 0.00 0.44 2.02 -1.26 -1.33 118.70 123.53 1wgg s GLU 20 Ca -0.02 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1wgg s GLU 20 Cb -0.17 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1wgg s GLU 20 CO -0.07 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1wgg n GLY 21 N 4.43 0.71 3.26 -1.39 0.00 -1.26 -5.07 105.19 105.88 1wgg n GLY 21 Ca -0.19 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.28 2.28 -0.12 1.61 1.01 -1.20 -5.07 120.40 117.63 1wgg s VAL 22 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 1wgg s VAL 22 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1wgg s VAL 22 CO 0.00 0.56 0.86 -1.61 0.00 0.00 0.00 175.10 174.90 1wgg s GLU 23 N 0.24 4.38 0.14 2.72 8.01 -1.26 -3.01 118.70 129.91 1wgg s GLU 23 Ca -0.14 1.11 0.10 0.00 0.01 0.00 0.00 54.97 56.05 1wgg s GLU 23 Cb -0.17 -3.53 -0.04 0.00 -4.31 0.00 0.00 34.13 26.08 1wgg s GLU 23 CO 0.07 -0.22 -0.22 -1.17 0.01 0.00 0.00 175.26 173.73 1wgg s LEU 24 N 1.75 2.52 0.09 1.80 2.96 0.17 -4.99 118.68 122.97 1wgg s LEU 24 Ca 0.42 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1wgg s LEU 24 Cb -0.18 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1wgg s LEU 24 CO 0.16 0.17 -0.14 0.20 -1.32 0.00 0.00 176.35 175.42 1wgg s ASN 25 N -2.23 1.79 -0.12 3.68 0.01 -1.26 0.18 114.94 117.00 1wgg s ASN 25 Ca 0.17 -0.68 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 1wgg s ASN 25 Cb -0.10 -0.06 -0.10 0.00 0.41 0.00 0.00 41.25 41.40 1wgg s ASN 25 CO 0.09 -0.10 -0.06 0.35 -1.51 0.00 0.00 177.10 175.87 1wgg n THR 26 N 1.04 0.75 0.06 1.60 -2.24 -1.10 -4.45 114.28 109.94 1wgg n THR 26 Ca -0.19 -0.35 0.20 0.00 -2.27 0.00 0.00 64.05 61.43 1wgg n THR 26 Cb 0.55 -0.88 0.57 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.00 -1.34 3.42 3.58 -1.94 -3.39 116.42 116.74 1wgg h ASP 27 Ca -0.30 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.69 1wgg h ASP 27 Cb 1.54 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.58 1wgg h ASP 27 CO -0.02 0.00 -0.29 -1.83 -2.88 0.00 0.00 179.24 174.22 1wgg s GLU 28 N -4.39 2.61 0.93 0.28 4.04 -1.26 -5.12 118.70 115.79 1wgg s GLU 28 Ca -0.03 -1.45 -0.13 0.00 0.04 0.00 0.00 54.97 53.40 1wgg s GLU 28 Cb 0.12 -2.55 0.15 0.00 0.02 0.00 0.00 34.13 31.87 1wgg s GLU 28 CO 0.41 -0.33 1.15 -1.25 -1.84 0.00 0.00 175.26 173.40 1wgg s PRO 29 N -4.29 0.95 0.00 -4.83 0.04 -1.26 -4.76 135.00 120.84 1wgg s PRO 29 Ca 0.52 0.22 0.22 0.00 0.04 0.00 0.00 61.00 62.00 1wgg s PRO 29 Cb -0.06 -1.82 1.00 0.00 0.04 0.00 0.00 34.50 33.65 1wgg s PRO 29 CO 0.31 -2.31 1.71 -0.35 0.04 0.00 0.00 177.00 176.40 1wgg n PRO 30 N -3.83 0.10 0.21 0.56 -0.04 -1.26 -2.75 135.00 127.99 1wgg n PRO 30 Ca 0.08 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1wgg n PRO 30 Cb 0.59 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.21 0.54 2.86 -1.81 -2.77 114.93 113.95 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 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1wgg h MET 31 CO 0.00 0.30 -0.10 0.28 1.06 0.00 0.00 176.91 178.45 1wgg h VAL 32 N 0.00 0.00 -1.28 -2.22 2.07 -1.90 0.89 116.25 113.81 1wgg h VAL 32 Ca -0.00 -0.31 0.37 0.00 0.82 0.00 0.00 66.70 67.58 1wgg h VAL 32 Cb 0.79 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1wgg h VAL 32 CO 0.04 0.00 0.93 0.15 0.02 0.00 0.00 177.57 178.71 1wgg h PHE 33 N -0.59 0.00 0.09 1.57 3.57 -1.71 1.56 116.94 121.42 1wgg h PHE 33 Ca -0.03 0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.20 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 0.04 0.00 -1.30 0.87 -2.23 0.00 0.00 178.31 175.69 1wgg h LYS 34 N 0.00 0.19 -0.00 1.11 1.57 -1.49 -2.72 116.57 115.22 1wgg h LYS 34 Ca 0.61 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1wgg h LYS 34 Cb 2.47 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.89 1wgg h LYS 34 CO -0.01 1.09 -0.33 0.00 -0.57 0.00 0.00 179.45 179.64 1wgg h ALA 35 N 0.68 1.46 0.00 3.86 0.00 0.47 -2.83 119.26 122.89 1wgg h ALA 35 Ca -0.15 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1wgg h ALA 35 Cb 1.94 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.69 1wgg h ALA 35 CO 0.17 0.41 -0.51 0.37 0.00 0.00 0.00 179.25 179.68 1wgg h GLN 36 N 0.00 0.34 -1.04 0.00 4.15 -0.81 -3.15 115.11 114.60 1wgg h GLN 36 Ca -0.00 -0.37 0.30 0.00 0.77 0.00 0.00 58.65 59.34 1wgg h GLN 36 Cb 0.58 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 1wgg h GLN 36 CO 0.04 1.06 0.74 -0.07 -1.93 0.00 0.00 178.83 178.68 1wgg h LEU 37 N -0.23 0.04 -0.34 -2.39 3.38 -1.25 0.25 115.31 114.78 1wgg h LEU 37 Ca -0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1wgg h LEU 37 Cb 1.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1wgg h LEU 37 CO 0.10 0.01 0.07 0.15 0.09 0.00 0.00 178.44 178.86 1wgg h PHE 38 N 0.03 0.12 0.00 1.13 3.04 -1.47 0.33 116.94 120.12 1wgg h PHE 38 Ca 0.50 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.47 1wgg h PHE 38 Cb 1.95 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.45 1wgg h PHE 38 CO -0.00 0.02 0.00 0.00 -2.02 0.00 0.00 178.31 176.31 1wgg n ALA 39 N -2.39 2.51 -0.01 2.41 0.00 0.82 0.23 120.51 124.08 1wgg n ALA 39 Ca 0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1wgg n ALA 39 Cb 0.15 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 17.99 1wgg n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgg n LEU 40 N -1.14 2.53 0.00 0.00 4.77 0.77 -4.75 117.00 119.17 1wgg n LEU 40 Ca 0.18 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1wgg n LEU 40 Cb 0.16 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1wgg n LEU 40 CO 0.19 0.77 -0.47 0.35 -1.33 0.00 0.00 177.39 176.91 1wgg n THR 41 N -3.62 0.00 0.00 -5.08 -2.24 0.81 -5.05 114.28 99.10 1wgg n THR 41 Ca -0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1wgg n THR 41 Cb 0.99 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 3.15 1.94 3.71 3.38 0.00 0.62 -5.00 105.19 112.99 1wgg n GLY 42 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.68 0.61 1.61 1.01 -1.22 -4.66 120.40 119.42 1wgg s VAL 43 Ca 0.00 -1.72 -0.14 0.00 0.00 0.00 0.00 61.98 60.12 1wgg s VAL 43 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1wgg s VAL 43 CO 0.00 -0.34 1.04 -1.10 0.00 0.00 0.00 175.10 174.70 1wgg s GLN 44 N -3.75 3.42 0.00 2.72 1.11 -1.26 -3.65 119.66 118.25 1wgg s GLN 44 Ca 0.33 1.00 0.23 0.00 0.01 0.00 0.00 55.36 56.92 1wgg s GLN 44 Cb -0.06 -2.05 1.35 0.00 -1.01 0.00 0.00 33.01 31.24 1wgg s GLN 44 CO 0.22 -0.71 1.74 -0.35 0.01 0.00 0.00 175.29 176.20 1wgg n PRO 45 N -2.34 0.75 -0.13 2.91 -0.04 -1.26 -0.88 135.00 134.01 1wgg n PRO 45 Ca 0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1wgg n PRO 45 Cb 0.53 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.97 1.40 0.07 0.55 0.00 -1.26 -4.51 120.51 115.79 1wgg n ALA 46 Ca 0.17 -1.06 -0.15 0.00 0.00 0.00 0.00 53.44 52.40 1wgg n ALA 46 Cb 0.08 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.36 0.41 -5.43 0.00 3.08 -1.90 -3.42 114.38 106.77 1wgg h ARG 47 Ca -0.60 -0.48 -0.21 0.00 0.07 0.00 0.00 59.98 58.76 1wgg h ARG 47 Cb 1.76 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.95 1wgg h ARG 47 CO -0.21 1.15 0.76 1.04 -1.07 0.00 0.00 179.97 181.64 1wgg n GLN 48 N -3.72 0.72 -2.17 0.04 6.02 -0.06 -4.32 117.38 113.88 1wgg n GLN 48 Ca -0.08 -0.47 -0.33 0.00 -0.01 0.00 0.00 57.00 56.11 1wgg n GLN 48 Cb 0.88 -3.47 -0.04 0.00 1.02 0.00 0.00 30.24 28.63 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 8.62 2.80 -0.68 -1.09 2.20 -0.03 -4.81 119.74 126.75 1wgg s LYS 49 Ca 0.97 -0.25 -0.24 0.00 -0.36 0.00 0.00 55.97 56.09 1wgg s LYS 49 Cb -0.20 -4.92 0.06 0.00 -1.51 0.00 0.00 37.83 31.26 1wgg s LYS 49 CO 0.18 -2.96 1.04 0.08 -0.36 0.00 0.00 175.35 173.33 1wgg s VAL 50 N 8.69 4.17 0.89 4.02 1.01 -1.26 -2.87 120.40 135.05 1wgg s VAL 50 Ca 0.63 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 1wgg s VAL 50 Cb -0.07 -4.74 0.13 0.00 0.00 0.00 0.00 36.38 31.70 1wgg s VAL 50 CO 0.03 -1.55 1.17 -0.04 0.00 0.00 0.00 175.10 174.70 1wgg s MET 51 N 4.49 1.34 0.09 2.72 -1.94 -0.88 -0.68 119.30 124.43 1wgg s MET 51 Ca 0.25 0.15 0.03 0.00 -1.71 0.00 0.00 55.69 54.41 1wgg s MET 51 Cb -0.15 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.78 1wgg s MET 51 CO 0.12 -2.03 -0.08 0.08 -0.01 0.00 0.00 175.02 173.09 1wgg s VAL 52 N -3.44 0.76 0.26 -6.03 1.01 0.54 -4.38 120.40 109.12 1wgg s VAL 52 Ca 0.64 -1.64 0.15 0.00 0.00 0.00 0.00 61.98 61.14 1wgg s VAL 52 Cb -0.12 -1.32 0.25 0.00 0.00 0.00 0.00 36.38 35.19 1wgg s VAL 52 CO 0.52 -0.65 1.10 0.29 0.00 0.00 0.00 175.10 176.36 1wgg n LYS 53 N 0.51 -0.04 -2.69 2.72 5.02 -1.26 -2.05 118.16 120.37 1wgg n LYS 53 Ca -0.16 0.95 -0.03 0.00 -2.02 0.00 0.00 58.31 57.05 1wgg n LYS 53 Cb 0.58 -1.72 0.12 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.20 1.88 0.60 0.72 0.00 -1.26 -5.14 105.19 100.79 1wgg n GLY 54 Ca 0.27 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.24 0.93 3.21 -0.02 0.00 -0.87 -5.17 105.19 102.02 1wgg n GLY 55 Ca -0.12 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.34 1.48 0.15 2.61 2.01 -1.26 0.20 115.64 118.49 1wgg s THR 56 Ca 0.04 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.70 1wgg s THR 56 Cb -0.00 -1.28 -0.10 0.00 0.01 0.00 0.00 72.50 71.13 1wgg s THR 56 CO 0.00 0.22 1.56 -0.22 -0.69 0.00 0.00 174.62 175.50 1wgg s LEU 57 N -0.94 4.37 0.00 4.42 0.20 0.14 -4.90 118.68 121.97 1wgg s LEU 57 Ca 0.06 2.56 -0.02 0.00 0.69 0.00 0.00 54.13 57.42 1wgg s LEU 57 Cb -0.08 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.12 1wgg s LEU 57 CO 0.01 -0.81 0.17 0.29 -0.29 0.00 0.00 176.35 175.72 1wgg n LYS 58 N 4.20 -0.25 0.00 1.98 5.02 -1.26 -4.89 118.16 122.96 1wgg n LYS 58 Ca 0.14 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1wgg n LYS 58 Cb 0.39 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 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 -3.12 0.95 0.16 4.39 9.92 -1.26 -4.56 116.55 123.03 1wgg n ASP 59 Ca 0.02 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.14 1wgg n ASP 59 Cb 0.08 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.47 1wgg n ASP 59 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wgg h ASP 60 N 0.00 -0.31 -4.53 -2.24 3.32 -1.99 -3.37 116.42 107.30 1wgg h ASP 60 Ca 0.00 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.04 1wgg h ASP 60 Cb 0.57 0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.02 1wgg h ASP 60 CO 0.00 -0.11 0.46 -1.81 -1.72 0.00 0.00 179.24 176.06 1wgg s ASP 61 N -4.98 -0.42 0.09 6.45 1.01 -1.26 -4.74 116.67 112.81 1wgg s ASP 61 Ca -0.15 0.23 -0.27 0.00 0.71 0.00 0.00 52.55 53.06 1wgg s ASP 61 Cb 0.04 0.39 -0.16 0.00 1.01 0.00 0.00 42.92 44.20 1wgg s ASP 61 CO 0.62 -0.55 1.68 -0.50 0.21 0.00 0.00 175.17 176.63 1wgg h TRP 62 N 2.31 -0.41 0.00 4.23 4.06 -1.91 -3.42 115.95 120.81 1wgg h TRP 62 Ca -0.22 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.72 1wgg h TRP 62 Cb 1.21 0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.51 1wgg h TRP 62 CO 0.28 -0.25 0.00 0.41 -3.56 0.00 0.00 178.44 175.32 1wgg n GLY 63 N -1.28 1.20 2.62 1.49 0.00 -1.26 -4.17 105.19 103.79 1wgg n GLY 63 Ca -0.09 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 3.12 3.55 -4.76 1.61 4.13 -1.26 -5.07 115.26 116.58 1wgg n ASN 64 Ca 0.00 -3.45 -0.39 0.00 1.68 0.00 0.00 54.58 52.42 1wgg n ASN 64 Cb 0.00 -0.53 -0.05 0.00 -1.54 0.00 0.00 39.78 37.66 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 -4.33 4.68 -1.25 2.41 1.01 -1.26 -4.98 121.20 117.49 1wgg s ILE 65 Ca 0.44 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.51 1wgg s ILE 65 Cb 0.36 -4.06 0.17 0.00 0.01 0.00 0.00 42.46 38.94 1wgg s ILE 65 CO -0.12 0.43 1.67 0.29 0.00 0.00 0.00 174.94 177.21 1wgg n LYS 66 N 2.39 3.52 -2.53 2.79 4.76 -1.26 -4.99 118.16 122.85 1wgg n LYS 66 Ca -0.05 -3.70 -0.36 0.00 -2.87 0.00 0.00 58.31 51.33 1wgg n LYS 66 Cb 0.50 -2.97 -0.04 0.00 -1.84 0.00 0.00 35.03 30.68 1wgg n LYS 66 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1wgg s MET 67 N 0.85 4.07 0.04 1.97 -1.94 -1.26 -5.05 119.30 117.98 1wgg s MET 67 Ca 0.41 1.50 0.00 0.00 -1.71 0.00 0.00 55.69 55.89 1wgg s MET 67 Cb 0.04 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 1wgg s MET 67 CO 0.00 -0.22 -0.04 0.21 -0.01 0.00 0.00 175.02 174.97 1wgg s LYS 68 N -2.65 0.45 -0.30 2.03 2.20 -1.26 -5.11 119.74 115.10 1wgg s LYS 68 Ca 0.60 -0.85 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 1wgg s LYS 68 Cb -0.21 0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1wgg s LYS 68 CO 0.26 -0.05 0.57 0.54 -0.36 0.00 0.00 175.35 176.31 1wgg s ASN 69 N -2.00 6.44 0.00 1.43 2.20 -1.25 -3.73 114.94 118.02 1wgg s ASN 69 Ca -0.07 0.36 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 1wgg s ASN 69 Cb -0.04 -2.30 0.00 0.00 -2.00 0.00 0.00 41.25 36.91 1wgg s ASN 69 CO -0.04 -0.42 0.00 0.61 -2.94 0.00 0.00 177.10 174.31 1wgg n GLY 70 N 4.50 2.03 2.53 0.45 0.00 -0.86 -4.90 105.19 108.94 1wgg n GLY 70 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.96 -5.04 1.61 0.00 -1.24 -4.79 117.12 103.69 1wgg n MET 71 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 57.70 56.32 1wgg n MET 71 Cb 0.00 -1.49 -0.16 0.00 0.00 0.00 0.00 33.22 31.57 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 -1.86 1.71 -0.31 3.17 2.01 -1.26 -2.72 115.64 116.37 1wgg s THR 72 Ca 0.51 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1wgg s THR 72 Cb -0.09 -1.44 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1wgg s THR 72 CO 0.42 0.48 0.12 -0.69 -0.69 0.00 0.00 174.62 174.27 1wgg s VAL 73 N -0.20 4.30 -0.15 3.82 1.01 0.60 -4.83 120.40 124.95 1wgg s VAL 73 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1wgg s VAL 73 Cb -0.11 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1wgg s VAL 73 CO 0.02 0.06 0.71 -0.22 0.00 0.00 0.00 175.10 175.66 1wgg s LEU 74 N 1.56 4.21 -0.09 3.92 1.98 -1.26 -0.90 118.68 128.09 1wgg s LEU 74 Ca 0.03 1.05 0.03 0.00 -2.89 0.00 0.00 54.13 52.35 1wgg s LEU 74 Cb -0.17 -3.05 -0.01 0.00 0.66 0.00 0.00 46.19 43.61 1wgg s LEU 74 CO 0.04 -0.25 -0.19 -0.32 -1.89 0.00 0.00 176.35 173.74 1wgg s MET 75 N 1.60 2.97 -0.17 1.98 1.75 -1.00 -2.08 119.30 124.36 1wgg s MET 75 Ca 0.34 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 53.95 1wgg s MET 75 Cb -0.17 -2.40 0.07 0.00 2.84 0.00 0.00 34.83 35.17 1wgg s MET 75 CO 0.13 0.31 0.13 -1.64 -0.65 0.00 0.00 175.02 173.30 1wgg s MET 76 N 0.06 0.09 0.00 4.11 -1.94 -1.14 -4.58 119.30 115.90 1wgg s MET 76 Ca -0.08 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.98 1wgg s MET 76 Cb -0.15 -1.46 0.00 0.00 2.01 0.00 0.00 34.83 35.23 1wgg s MET 76 CO 0.05 -0.62 0.00 0.41 -0.01 0.00 0.00 175.02 174.85 1wgg n GLY 77 N 5.30 1.91 3.93 -0.03 0.00 -1.26 -0.85 105.19 114.17 1wgg n GLY 77 Ca -0.06 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 6.07 -0.56 1.61 1.04 -1.26 -4.92 113.70 115.68 1wgg s SER 78 Ca 0.00 0.66 0.04 0.00 0.48 0.00 0.00 55.95 57.13 1wgg s SER 78 Cb 0.00 -1.97 0.14 0.00 0.10 0.00 0.00 66.02 64.29 1wgg s SER 78 CO 0.00 -0.63 0.31 0.00 0.98 0.00 0.00 173.24 173.91 1wgg s ALA 79 N -2.66 3.36 -0.36 5.32 0.00 -1.26 -4.69 121.76 121.46 1wgg s ALA 79 Ca 0.47 -3.37 -0.39 0.00 0.00 0.00 0.00 51.96 48.67 1wgg s ALA 79 Cb -0.10 -2.15 -0.15 0.00 0.00 0.00 0.00 23.12 20.73 1wgg s ALA 79 CO 0.42 -2.04 2.03 -0.25 0.00 0.00 0.00 175.76 175.92 1wgg n ASP 80 N 2.86 1.89 -3.53 0.00 8.00 -1.26 -1.14 116.55 123.38 1wgg n ASP 80 Ca 0.09 0.69 -0.20 0.00 0.71 0.00 0.00 54.79 56.08 1wgg n ASP 80 Cb 0.33 -1.14 0.02 0.00 -0.02 0.00 0.00 41.12 40.31 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgg n ALA 81 N 7.84 -2.62 -1.19 2.24 0.00 -1.26 -4.89 120.51 120.63 1wgg n ALA 81 Ca 0.39 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 1wgg n ALA 81 Cb 0.13 -2.28 0.12 0.00 0.00 0.00 0.00 19.45 17.42 1wgg n ALA 81 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wgg n LEU 82 N -2.97 4.23 -4.73 0.00 -0.00 -0.29 -4.93 117.00 108.32 1wgg n LEU 82 Ca -0.14 0.61 -0.41 0.00 -0.00 0.00 0.00 56.01 56.07 1wgg n LEU 82 Cb 0.60 -1.48 -0.04 0.00 -0.00 0.00 0.00 43.42 42.50 1wgg n LEU 82 CO 0.62 -1.77 0.82 -2.16 -0.00 0.00 0.00 177.39 174.90 1wgg s PRO 83 N -3.89 4.54 0.30 1.47 0.04 -1.26 -4.97 135.00 131.23 1wgg s PRO 83 Ca 0.74 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 63.23 1wgg s PRO 83 Cb -0.31 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 30.81 1wgg s PRO 83 CO 0.50 -0.03 1.24 -1.91 0.04 0.00 0.00 177.00 176.84 1wgg n GLU 84 N 2.82 1.89 -3.57 4.56 4.07 -1.26 -4.99 120.64 124.16 1wgg n GLU 84 Ca 0.05 0.67 -0.12 0.00 -0.06 0.00 0.00 57.16 57.69 1wgg n GLU 84 Cb 0.46 -2.21 -0.06 0.00 -0.06 0.00 0.00 31.44 29.58 1wgg n GLU 84 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1wgg s GLU 85 N -1.46 0.71 0.86 5.31 2.12 -1.26 -5.17 118.70 119.80 1wgg s GLU 85 Ca 0.59 0.29 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 1wgg s GLU 85 Cb -0.63 0.34 0.10 0.00 0.26 0.00 0.00 34.13 34.21 1wgg s GLU 85 CO 0.59 -0.20 1.12 -1.25 -0.54 0.00 0.00 175.26 174.98 1wgg s PRO 86 N -0.84 1.60 -0.29 4.30 0.04 -1.26 -5.09 135.00 133.46 1wgg s PRO 86 Ca -0.03 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 1wgg s PRO 86 Cb -0.01 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.78 1wgg s PRO 86 CO 0.03 -1.92 0.89 0.45 0.04 0.00 0.00 177.00 176.48 1wgg s SER 87 N -3.97 -0.67 0.28 6.66 0.15 -1.26 -5.18 113.70 109.71 1wgg s SER 87 Ca 0.62 1.03 -0.20 0.00 0.70 0.00 0.00 55.95 58.11 1wgg s SER 87 Cb -0.15 1.40 0.02 0.00 -1.71 0.00 0.00 66.02 65.59 1wgg s SER 87 CO 0.54 -0.16 0.69 0.00 1.20 0.00 0.00 173.24 175.51 1wgg s ALA 88 N 1.70 -1.08 0.28 5.45 0.00 -1.26 -5.14 121.76 121.71 1wgg s ALA 88 Ca -0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 1wgg s ALA 88 Cb -0.05 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.83 1wgg s ALA 88 CO -0.17 -1.02 1.50 0.15 0.00 0.00 0.00 175.76 176.23 1wgg s LYS 89 N -3.87 4.19 -0.17 0.00 1.02 -1.26 -4.94 119.74 114.71 1wgg s LYS 89 Ca 0.13 2.44 -0.13 0.00 0.02 0.00 0.00 55.97 58.42 1wgg s LYS 89 Cb -0.05 -3.06 -0.07 0.00 -0.52 0.00 0.00 37.83 34.14 1wgg s LYS 89 CO 0.07 -0.51 -0.18 2.41 -0.92 0.00 0.00 175.35 176.22 1wgg n THR 90 N 1.99 1.46 0.02 2.17 -1.04 -1.26 -5.06 114.28 112.57 1wgg n THR 90 Ca 0.06 0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1wgg n THR 90 Cb 0.39 -2.30 0.00 0.00 -1.82 0.00 0.00 70.33 66.60 1wgg n THR 90 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1wgg n SER 91 N -4.53 -0.30 -4.30 8.00 2.88 -1.26 -5.09 113.62 109.02 1wgg n SER 91 Ca -0.15 0.37 -0.38 0.00 -1.33 0.00 0.00 58.87 57.38 1wgg n SER 91 Cb 0.43 0.60 -0.15 0.00 -0.75 0.00 0.00 64.21 64.34 1wgg n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgg n GLY 92 N -1.19 -0.47 0.09 0.46 0.00 -1.26 -4.76 105.19 98.06 1wgg n GLY 92 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.95 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 11.42 -0.09 -3.70 1.61 0.13 -2.04 -3.47 132.00 135.87 1wgg h PRO 93 Ca -0.04 0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 1wgg h PRO 93 Cb 1.24 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 1wgg h PRO 93 CO 1.34 0.49 -0.56 0.45 -0.23 0.00 0.00 178.00 179.50 1wgg s SER 94 N -5.75 0.12 -0.05 1.44 0.15 -1.26 -5.16 113.70 103.19 1wgg s SER 94 Ca -0.14 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.20 1wgg s SER 94 Cb -0.00 0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wgg s SER 94 CO 0.54 -0.38 -0.18 -0.44 1.20 0.00 0.00 173.24 173.99 1wgg s SER 95 N -1.55 2.25 0.00 5.45 0.01 -1.26 -5.24 113.70 113.35 1wgg s SER 95 Ca -0.13 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1wgg s SER 95 Cb -0.07 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1wgg s SER 95 CO -0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41