#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 4.46 0.00 1.61 0.01 -1.26 -4.81 113.70 113.71 1wgg s SER 2 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1wgg s SER 2 Cb 0.00 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1wgg s SER 2 CO 0.00 0.06 0.00 -1.20 0.41 0.00 0.00 173.24 172.51 1wgg n SER 3 N 4.23 0.00 0.00 2.44 7.64 -1.26 -4.75 113.62 121.92 1wgg n SER 3 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1wgg n SER 3 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 1.06 0.54 0.23 0.00 -1.26 -5.06 105.19 100.70 1wgg n GLY 4 Ca 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 1wgg n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgg n SER 5 N -0.07 1.70 0.00 1.61 3.41 -1.26 -5.02 113.62 113.99 1wgg n SER 5 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1wgg n SER 5 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1wgg n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wgg n SER 6 N -2.90 0.00 -4.48 4.04 7.64 -1.26 -5.01 113.62 111.66 1wgg n SER 6 Ca -0.05 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.46 1wgg n SER 6 Cb 0.55 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.00 1.79 0.20 0.23 0.00 -1.26 -2.20 107.32 106.09 1wgg s GLY 7 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1wgg s GLY 7 CO 0.00 0.53 0.30 -0.19 0.00 0.00 0.00 173.10 173.74 1wgg s TYR 8 N 1.58 3.41 -0.19 1.90 1.51 0.50 -4.92 117.35 121.14 1wgg s TYR 8 Ca 0.06 0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.15 1wgg s TYR 8 Cb -0.15 -1.59 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1wgg s TYR 8 CO 0.05 0.48 -0.18 -1.12 -1.11 0.00 0.00 175.55 173.67 1wgg s SER 9 N -3.63 3.32 0.37 2.29 0.01 -1.26 -1.32 113.70 113.48 1wgg s SER 9 Ca 0.34 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 57.00 1wgg s SER 9 Cb -0.10 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 1wgg s SER 9 CO 0.28 -0.01 0.08 0.68 0.41 0.00 0.00 173.24 174.68 1wgg s VAL 10 N 1.31 0.95 -0.13 3.43 -7.23 -1.24 0.19 120.40 117.67 1wgg s VAL 10 Ca 0.05 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1wgg s VAL 10 Cb -0.13 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.25 1wgg s VAL 10 CO -0.12 0.00 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.61 1wgg s THR 11 N -3.23 1.75 -0.01 5.32 2.01 -0.96 -3.35 115.64 117.16 1wgg s THR 11 Ca 0.29 -0.78 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1wgg s THR 11 Cb 0.06 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1wgg s THR 11 CO 0.14 0.49 0.56 -0.69 -0.69 0.00 0.00 174.62 174.44 1wgg s VAL 12 N 1.03 4.94 -0.23 3.82 1.01 0.19 0.21 120.40 131.37 1wgg s VAL 12 Ca -0.04 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1wgg s VAL 12 Cb -0.15 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1wgg s VAL 12 CO -0.04 0.43 -0.12 -0.75 0.00 0.00 0.00 175.10 174.62 1wgg s LYS 13 N -0.20 2.26 -0.41 2.72 2.20 -0.02 -1.50 119.74 124.78 1wgg s LYS 13 Ca 0.30 -1.13 0.03 0.00 -0.36 0.00 0.00 55.97 54.81 1wgg s LYS 13 Cb -0.18 -2.72 0.12 0.00 -1.51 0.00 0.00 37.83 33.54 1wgg s LYS 13 CO 0.16 -0.49 0.16 -0.46 -0.36 0.00 0.00 175.35 174.36 1wgg s TRP 14 N 1.22 3.02 0.00 4.03 -0.00 -0.67 -2.04 118.94 124.50 1wgg s TRP 14 Ca -0.05 -2.82 0.00 0.00 -0.00 0.00 0.00 56.10 53.23 1wgg s TRP 14 Cb -0.18 -2.57 0.00 0.00 -0.00 0.00 0.00 33.47 30.72 1wgg s TRP 14 CO -0.07 -0.84 0.00 0.41 -0.00 0.00 0.00 176.95 176.45 1wgg n GLY 15 N 3.81 1.95 0.37 5.86 0.00 -1.26 0.18 105.19 116.11 1wgg n GLY 15 Ca 0.04 -0.02 0.13 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 0.58 -6.98 1.61 3.64 -2.01 -3.41 116.57 110.01 1wgg h LYS 16 Ca 0.00 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.84 1wgg h LYS 16 Cb 0.00 -0.13 0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1wgg h LYS 16 CO 0.00 0.38 0.49 -1.21 -2.27 0.00 0.00 179.45 176.84 1wgg s GLU 17 N -5.59 3.91 -0.05 1.90 0.41 0.48 -5.05 118.70 114.72 1wgg s GLU 17 Ca -0.09 1.77 -0.04 0.00 -0.41 0.00 0.00 54.97 56.21 1wgg s GLU 17 Cb 0.22 -2.52 0.02 0.00 -1.78 0.00 0.00 34.13 30.06 1wgg s GLU 17 CO 0.78 -0.43 0.12 0.21 -0.49 0.00 0.00 175.26 175.45 1wgg s LYS 18 N -2.53 0.12 -0.17 1.61 2.20 -1.26 -1.67 119.74 118.05 1wgg s LYS 18 Ca 0.61 0.19 -0.04 0.00 -0.36 0.00 0.00 55.97 56.36 1wgg s LYS 18 Cb -0.29 0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.11 1wgg s LYS 18 CO 0.35 -0.04 0.07 -0.06 -0.36 0.00 0.00 175.35 175.31 1wgg s PHE 19 N 0.24 0.47 -0.16 4.03 0.08 -0.56 -4.99 117.98 117.08 1wgg s PHE 19 Ca -0.01 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.61 1wgg s PHE 19 Cb -0.03 -0.79 0.01 0.00 -0.57 0.00 0.00 43.02 41.65 1wgg s PHE 19 CO -0.01 -0.51 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.20 1wgg s GLU 20 N 2.05 3.07 0.00 0.44 2.02 -1.26 -0.64 118.70 124.37 1wgg s GLU 20 Ca 0.01 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1wgg s GLU 20 Cb -0.16 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1wgg s GLU 20 CO -0.08 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1wgg n GLY 21 N 4.26 0.85 3.62 -1.39 0.00 -1.25 -5.06 105.19 106.22 1wgg n GLY 21 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.37 5.28 0.11 1.61 1.01 -1.21 -4.88 120.40 120.95 1wgg s VAL 22 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.99 1wgg s VAL 22 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1wgg s VAL 22 CO 0.00 0.25 1.54 -1.83 0.00 0.00 0.00 175.10 175.06 1wgg s GLU 23 N 1.59 4.24 -0.01 2.72 -1.05 -1.26 -3.72 118.70 121.20 1wgg s GLU 23 Ca 0.10 2.25 0.03 0.00 -0.15 0.00 0.00 54.97 57.20 1wgg s GLU 23 Cb -0.15 -3.35 -0.00 0.00 -0.44 0.00 0.00 34.13 30.18 1wgg s GLU 23 CO 0.09 -0.60 -0.09 -1.17 0.95 0.00 0.00 175.26 174.43 1wgg s LEU 24 N 1.71 1.91 0.04 1.83 2.96 -0.43 -4.97 118.68 121.74 1wgg s LEU 24 Ca 0.69 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1wgg s LEU 24 Cb -0.40 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 1wgg s LEU 24 CO 0.31 0.09 -0.15 0.21 -1.32 0.00 0.00 176.35 175.49 1wgg s ASN 25 N -0.03 1.81 -0.22 3.68 2.47 -1.26 0.19 114.94 121.58 1wgg s ASN 25 Ca 0.01 -0.49 0.11 0.00 0.42 0.00 0.00 52.86 52.91 1wgg s ASN 25 Cb -0.06 -0.12 -0.21 0.00 -1.45 0.00 0.00 41.25 39.42 1wgg s ASN 25 CO -0.00 0.04 -0.05 0.35 -3.72 0.00 0.00 177.10 173.72 1wgg n THR 26 N 1.80 1.39 -0.59 -5.21 -2.24 -0.93 -4.30 114.28 104.20 1wgg n THR 26 Ca -0.18 -0.72 0.48 0.00 -2.27 0.00 0.00 64.05 61.35 1wgg n THR 26 Cb 0.54 -0.84 0.79 0.00 -2.10 0.00 0.00 70.33 68.73 1wgg n THR 26 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wgg h ASP 27 N 0.00 0.02 -5.88 3.42 5.19 -1.95 -3.39 116.42 113.83 1wgg h ASP 27 Ca -0.54 0.01 -0.52 0.00 -0.62 0.00 0.00 57.03 55.36 1wgg h ASP 27 Cb 2.08 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 41.57 1wgg h ASP 27 CO -0.02 -0.01 -0.21 -0.62 -3.12 0.00 0.00 179.24 175.26 1wgg n GLU 28 N -4.06 0.70 -1.53 3.56 -0.58 -1.26 -5.13 120.64 112.34 1wgg n GLU 28 Ca 0.39 -3.15 -0.29 0.00 -0.42 0.00 0.00 57.16 53.69 1wgg n GLU 28 Cb 1.78 0.20 0.17 0.00 -0.57 0.00 0.00 31.44 33.01 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 -4.20 0.57 0.12 3.49 0.04 -1.26 -4.81 135.00 128.95 1wgg s PRO 29 Ca 0.36 0.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.40 1wgg s PRO 29 Cb -0.03 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 1wgg s PRO 29 CO 0.23 -2.54 1.31 -1.00 0.04 0.00 0.00 177.00 175.04 1wgg h PRO 30 N -1.74 0.53 -0.92 0.56 0.13 -1.85 -3.27 132.00 125.44 1wgg h PRO 30 Ca -0.48 -0.51 0.29 0.00 -0.87 0.00 0.00 66.00 64.43 1wgg h PRO 30 Cb 1.30 0.13 -0.17 0.00 0.13 0.00 0.00 31.00 32.40 1wgg h PRO 30 CO 0.51 1.15 0.16 -1.33 -0.23 0.00 0.00 178.00 178.26 1wgg n MET 31 N -3.81 -0.07 -0.06 0.86 2.81 -1.25 0.17 117.12 115.77 1wgg n MET 31 Ca -0.07 1.34 -0.07 0.00 -1.81 0.00 0.00 57.70 57.08 1wgg n MET 31 Cb 0.81 -2.21 -0.01 0.00 -0.71 0.00 0.00 33.22 31.10 1wgg n MET 31 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1wgg h VAL 32 N 0.00 0.63 0.00 2.03 2.07 -1.93 1.08 116.25 120.14 1wgg h VAL 32 Ca 0.62 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.14 1wgg h VAL 32 Cb 1.42 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1wgg h VAL 32 CO -0.81 0.00 -0.00 0.15 0.02 0.00 0.00 177.57 176.92 1wgg h PHE 33 N -0.07 0.00 0.00 1.57 3.57 0.15 0.13 116.94 122.30 1wgg h PHE 33 Ca 0.14 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 1wgg h PHE 33 Cb 0.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1wgg h PHE 33 CO -0.30 0.00 -1.26 1.63 -2.23 0.00 0.00 178.31 176.16 1wgg n LYS 34 N -3.59 0.61 0.19 1.11 4.76 0.86 -2.93 118.16 119.18 1wgg n LYS 34 Ca -0.03 0.19 0.06 0.00 -2.87 0.00 0.00 58.31 55.66 1wgg n LYS 34 Cb 0.08 -1.82 0.35 0.00 -1.84 0.00 0.00 35.03 31.81 1wgg n LYS 34 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wgg h ALA 35 N 1.63 1.03 0.00 7.82 0.00 0.38 -2.75 119.26 127.36 1wgg h ALA 35 Ca -0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1wgg h ALA 35 Cb 1.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1wgg h ALA 35 CO 0.03 0.46 -0.40 0.37 0.00 0.00 0.00 179.25 179.71 1wgg h GLN 36 N 0.00 0.00 -1.06 0.00 4.15 -1.45 -3.31 115.11 113.44 1wgg h GLN 36 Ca -0.00 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.72 1wgg h GLN 36 Cb 0.86 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 1wgg h GLN 36 CO 0.05 0.73 0.82 -0.07 -1.93 0.00 0.00 178.83 178.42 1wgg h LEU 37 N -1.00 0.00 -1.54 -2.39 3.38 -1.56 1.03 115.31 113.22 1wgg h LEU 37 Ca -0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1wgg h LEU 37 Cb 0.86 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1wgg h LEU 37 CO -0.06 0.00 0.34 0.15 0.09 0.00 0.00 178.44 178.96 1wgg h PHE 38 N 0.00 0.58 -0.01 1.13 3.57 -1.57 1.16 116.94 121.79 1wgg h PHE 38 Ca 0.50 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.02 1wgg h PHE 38 Cb 2.14 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1wgg h PHE 38 CO 0.00 0.34 -0.33 0.00 -2.23 0.00 0.00 178.31 176.09 1wgg n ALA 39 N -2.47 3.24 -0.12 2.41 0.00 0.35 -1.05 120.51 122.87 1wgg n ALA 39 Ca 0.05 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.73 1wgg n ALA 39 Cb 0.12 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.32 1.91 -0.13 0.00 4.77 0.31 -4.70 117.00 118.84 1wgg n LEU 40 Ca 0.11 0.38 -0.18 0.00 -0.03 0.00 0.00 56.01 56.30 1wgg n LEU 40 Cb 0.40 -0.89 -0.12 0.00 -2.33 0.00 0.00 43.42 40.49 1wgg n LEU 40 CO 0.26 0.41 -1.34 0.35 -1.33 0.00 0.00 177.39 175.74 1wgg n THR 41 N -4.34 1.47 0.00 -5.08 -2.24 0.37 -5.02 114.28 99.44 1wgg n THR 41 Ca -0.43 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 1wgg n THR 41 Cb 0.78 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.26 1.58 3.76 3.38 0.00 -0.21 -5.01 105.19 110.94 1wgg n GLY 42 Ca -0.46 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1wgg n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wgg n VAL 43 N 0.00 2.98 -0.93 1.61 0.31 -1.26 -4.83 118.33 116.21 1wgg n VAL 43 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 1wgg n VAL 43 Cb 0.00 -1.80 0.14 0.00 -0.91 0.00 0.00 33.84 31.26 1wgg n VAL 43 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1wgg s GLN 44 N -2.52 1.46 0.00 5.55 1.11 -1.26 -3.95 119.66 120.05 1wgg s GLN 44 Ca 0.63 1.49 0.15 0.00 0.01 0.00 0.00 55.36 57.64 1wgg s GLN 44 Cb -0.45 -1.78 0.87 0.00 -1.01 0.00 0.00 33.01 30.64 1wgg s GLN 44 CO 0.56 -2.29 1.39 -0.35 0.01 0.00 0.00 175.29 174.60 1wgg n PRO 45 N -3.86 0.75 -0.04 2.91 -0.04 -1.26 -2.29 135.00 131.18 1wgg n PRO 45 Ca 0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1wgg n PRO 45 Cb 0.52 -1.30 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.80 1.92 -1.27 0.55 0.00 -1.26 -4.48 120.51 115.17 1wgg n ALA 46 Ca 0.11 -0.58 -0.16 0.00 0.00 0.00 0.00 53.44 52.81 1wgg n ALA 46 Cb 0.05 -0.09 0.20 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.25 2.32 -3.73 0.00 1.74 -0.97 -4.88 116.66 108.89 1wgg n ARG 47 Ca -0.13 -3.07 -0.38 0.00 -0.77 0.00 0.00 57.85 53.50 1wgg n ARG 47 Cb 0.69 -2.08 -0.12 0.00 -1.02 0.00 0.00 32.46 29.94 1wgg n ARG 47 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wgg s GLN 48 N -3.24 2.58 -0.84 5.56 -0.21 -1.11 -4.66 119.66 117.73 1wgg s GLN 48 Ca 0.53 -1.27 -0.20 0.00 0.02 0.00 0.00 55.36 54.44 1wgg s GLN 48 Cb 0.45 -3.53 0.10 0.00 1.00 0.00 0.00 33.01 31.04 1wgg s GLN 48 CO 0.08 -0.74 1.09 0.21 -2.12 0.00 0.00 175.29 173.81 1wgg s LYS 49 N 1.39 3.43 -0.21 2.91 2.20 -0.96 -4.94 119.74 123.56 1wgg s LYS 49 Ca -0.00 -1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 54.06 1wgg s LYS 49 Cb -0.20 -4.72 -0.04 0.00 -1.51 0.00 0.00 37.83 31.35 1wgg s LYS 49 CO 0.02 -1.82 0.32 0.08 -0.36 0.00 0.00 175.35 173.60 1wgg s VAL 50 N 3.31 5.25 0.36 4.02 1.01 -1.26 -1.64 120.40 131.46 1wgg s VAL 50 Ca 0.30 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.89 1wgg s VAL 50 Cb -0.09 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1wgg s VAL 50 CO -0.03 0.29 0.48 -0.04 0.00 0.00 0.00 175.10 175.80 1wgg s MET 51 N 1.19 2.98 0.10 2.72 -1.94 -0.73 -2.41 119.30 121.21 1wgg s MET 51 Ca 0.15 -1.12 0.04 0.00 -1.71 0.00 0.00 55.69 53.05 1wgg s MET 51 Cb -0.14 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 1wgg s MET 51 CO 0.07 -0.05 -0.10 0.08 -0.01 0.00 0.00 175.02 175.01 1wgg s VAL 52 N -2.25 0.96 0.27 -6.03 1.01 0.53 -4.21 120.40 110.68 1wgg s VAL 52 Ca 0.48 -1.70 0.17 0.00 0.00 0.00 0.00 61.98 60.93 1wgg s VAL 52 Cb -0.09 -1.43 0.28 0.00 0.00 0.00 0.00 36.38 35.14 1wgg s VAL 52 CO 0.31 -0.59 1.10 0.29 0.00 0.00 0.00 175.10 176.21 1wgg n LYS 53 N 0.45 -0.04 -2.69 2.72 4.76 -1.26 -1.99 118.16 120.12 1wgg n LYS 53 Ca -0.15 0.93 -0.03 0.00 -2.87 0.00 0.00 58.31 56.20 1wgg n LYS 53 Cb 0.58 -1.73 0.12 0.00 -1.84 0.00 0.00 35.03 32.16 1wgg n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wgg n GLY 54 N -1.24 1.93 0.00 0.72 0.00 -1.26 -5.13 105.19 100.21 1wgg n GLY 54 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.34 1.17 3.05 -0.02 0.00 -0.84 -5.17 105.19 102.04 1wgg n GLY 55 Ca -0.14 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.40 0.71 0.12 2.61 2.01 -1.26 0.20 115.64 117.62 1wgg s THR 56 Ca 0.00 -0.70 -0.31 0.00 0.31 0.00 0.00 61.69 60.99 1wgg s THR 56 Cb 0.00 -0.66 -0.09 0.00 0.01 0.00 0.00 72.50 71.77 1wgg s THR 56 CO 0.00 -0.03 1.50 -0.22 -0.69 0.00 0.00 174.62 175.18 1wgg s LEU 57 N -0.80 4.36 0.00 4.42 0.20 -1.01 -4.91 118.68 120.94 1wgg s LEU 57 Ca -0.01 2.44 -0.04 0.00 0.69 0.00 0.00 54.13 57.21 1wgg s LEU 57 Cb -0.06 -3.58 0.05 0.00 -0.43 0.00 0.00 46.19 42.17 1wgg s LEU 57 CO 0.00 -0.76 0.23 0.29 -0.29 0.00 0.00 176.35 175.82 1wgg n LYS 58 N 4.35 -0.93 0.00 1.98 5.02 -1.26 -4.87 118.16 122.44 1wgg n LYS 58 Ca 0.13 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1wgg n LYS 58 Cb 0.41 -0.29 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1wgg n ASP 59 N -3.28 0.68 -0.04 4.39 5.75 -1.26 -4.67 116.55 118.11 1wgg n ASP 59 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.69 1wgg n ASP 59 Cb 0.11 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.13 1wgg n ASP 59 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1wgg h ASP 60 N 0.00 0.24 -4.43 -1.12 1.82 -2.00 -3.34 116.42 107.59 1wgg h ASP 60 Ca 0.00 -0.36 0.08 0.00 -0.39 0.00 0.00 57.03 56.36 1wgg h ASP 60 Cb 0.49 -0.07 -0.19 0.00 0.68 0.00 0.00 39.33 40.24 1wgg h ASP 60 CO 0.00 0.54 0.49 -1.81 -1.61 0.00 0.00 179.24 176.85 1wgg s ASP 61 N -5.81 -0.40 0.08 2.28 1.11 -1.26 -4.74 116.67 107.92 1wgg s ASP 61 Ca -0.14 0.28 -0.34 0.00 0.18 0.00 0.00 52.55 52.52 1wgg s ASP 61 Cb 0.05 0.36 -0.18 0.00 1.07 0.00 0.00 42.92 44.23 1wgg s ASP 61 CO 0.72 -0.48 1.60 -0.50 1.18 0.00 0.00 175.17 177.68 1wgg h TRP 62 N 2.38 -1.07 0.00 4.23 4.06 -1.91 -3.42 115.95 120.23 1wgg h TRP 62 Ca -0.21 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.73 1wgg h TRP 62 Cb 1.19 0.38 0.00 0.00 -1.00 0.00 0.00 29.16 29.73 1wgg h TRP 62 CO 0.29 -0.61 0.00 0.41 -3.56 0.00 0.00 178.44 174.97 1wgg n GLY 63 N -1.54 0.87 2.67 1.49 0.00 -1.26 -4.19 105.19 103.22 1wgg n GLY 63 Ca -0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 2.70 1.06 -4.78 1.61 3.02 -1.26 -5.10 115.26 112.51 1wgg n ASN 64 Ca 0.00 -2.68 -0.38 0.00 -0.03 0.00 0.00 54.58 51.49 1wgg n ASN 64 Cb 0.00 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wgg s ILE 65 N -2.75 4.29 -1.20 2.41 1.01 -1.26 -4.98 121.20 118.72 1wgg s ILE 65 Ca 0.26 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.55 1wgg s ILE 65 Cb 0.45 -4.08 0.20 0.00 0.01 0.00 0.00 42.46 39.04 1wgg s ILE 65 CO 0.02 0.33 1.49 0.29 0.00 0.00 0.00 174.94 177.07 1wgg n LYS 66 N 1.04 3.55 -3.18 2.79 4.76 -1.26 -5.00 118.16 120.87 1wgg n LYS 66 Ca -0.02 -3.94 -0.35 0.00 -2.87 0.00 0.00 58.31 51.13 1wgg n LYS 66 Cb 0.49 -2.89 -0.06 0.00 -1.84 0.00 0.00 35.03 30.74 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 0.43 4.11 0.05 1.97 -1.94 -1.26 -5.02 119.30 117.65 1wgg s MET 67 Ca 0.39 0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 55.05 1wgg s MET 67 Cb -0.01 -2.78 -0.02 0.00 2.01 0.00 0.00 34.83 34.03 1wgg s MET 67 CO -0.00 0.36 0.04 0.15 -0.01 0.00 0.00 175.02 175.56 1wgg s LYS 68 N -2.24 0.60 -0.27 2.03 1.02 -1.26 -5.13 119.74 114.49 1wgg s LYS 68 Ca 0.44 -0.96 -0.20 0.00 0.02 0.00 0.00 55.97 55.27 1wgg s LYS 68 Cb -0.15 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 1wgg s LYS 68 CO 0.20 -0.14 0.64 0.54 -0.92 0.00 0.00 175.35 175.67 1wgg s ASN 69 N -2.48 6.56 0.00 2.83 2.20 -1.26 -3.70 114.94 119.09 1wgg s ASN 69 Ca 0.00 0.63 0.00 0.00 -0.94 0.00 0.00 52.86 52.55 1wgg s ASN 69 Cb 0.02 -2.34 0.00 0.00 -2.00 0.00 0.00 41.25 36.94 1wgg s ASN 69 CO -0.07 -0.41 0.00 0.61 -2.94 0.00 0.00 177.10 174.28 1wgg n GLY 70 N 4.24 1.47 3.21 0.45 0.00 0.50 -4.87 105.19 110.19 1wgg n GLY 70 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.55 -5.22 1.61 0.00 -1.24 -4.73 117.12 102.98 1wgg n MET 71 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 57.70 56.04 1wgg n MET 71 Cb 0.00 -1.89 -0.16 0.00 0.00 0.00 0.00 33.22 31.16 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 -2.12 1.97 -0.29 3.17 2.01 -1.26 -2.26 115.64 116.86 1wgg s THR 72 Ca 0.64 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1wgg s THR 72 Cb -0.12 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 1wgg s THR 72 CO 0.55 0.55 0.11 -0.69 -0.69 0.00 0.00 174.62 174.45 1wgg s VAL 73 N -0.22 4.37 -0.17 3.82 1.01 0.57 -4.87 120.40 124.91 1wgg s VAL 73 Ca -0.01 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 1wgg s VAL 73 Cb -0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1wgg s VAL 73 CO 0.03 0.16 0.72 -0.22 0.00 0.00 0.00 175.10 175.78 1wgg s LEU 74 N 1.59 4.18 -0.13 3.92 1.98 -1.26 -0.84 118.68 128.12 1wgg s LEU 74 Ca 0.05 1.02 0.02 0.00 -2.89 0.00 0.00 54.13 52.33 1wgg s LEU 74 Cb -0.16 -3.05 0.01 0.00 0.66 0.00 0.00 46.19 43.64 1wgg s LEU 74 CO 0.05 -0.30 -0.21 -0.32 -1.89 0.00 0.00 176.35 173.68 1wgg s MET 75 N 1.84 2.87 -0.16 1.98 1.75 -0.87 -1.78 119.30 124.94 1wgg s MET 75 Ca 0.34 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.99 1wgg s MET 75 Cb -0.16 -2.33 0.01 0.00 2.84 0.00 0.00 34.83 35.19 1wgg s MET 75 CO 0.12 -0.02 -0.20 -1.64 -0.65 0.00 0.00 175.02 172.63 1wgg s MET 76 N 0.83 3.03 0.00 4.11 -1.94 -0.65 -4.44 119.30 120.24 1wgg s MET 76 Ca -0.07 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 1wgg s MET 76 Cb -0.15 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.17 1wgg s MET 76 CO -0.01 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.32 1wgg n GLY 77 N 4.28 2.28 1.49 -0.03 0.00 -1.26 -2.26 105.19 109.69 1wgg n GLY 77 Ca -0.20 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1wgg n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgg n SER 78 N 0.00 0.00 -2.32 1.61 7.64 -1.26 -5.08 113.62 114.21 1wgg n SER 78 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1wgg n SER 78 Cb 0.00 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1wgg n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgg n ALA 79 N -2.24 -2.22 -3.92 -0.43 0.00 -1.26 -4.89 120.51 105.54 1wgg n ALA 79 Ca 0.00 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 1wgg n ALA 79 Cb 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 1wgg n ALA 79 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1wgg s ASP 80 N -2.41 4.80 -0.24 0.00 1.47 -1.26 -4.95 116.67 114.08 1wgg s ASP 80 Ca 0.03 -2.43 -0.32 0.00 1.18 0.00 0.00 52.55 51.01 1wgg s ASP 80 Cb -0.01 -1.70 0.17 0.00 -0.34 0.00 0.00 42.92 41.04 1wgg s ASP 80 CO 0.41 -0.37 1.27 0.00 0.68 0.00 0.00 175.17 177.15 1wgg s ALA 81 N 0.54 -2.09 -0.20 2.11 0.00 -1.26 -5.11 121.76 115.74 1wgg s ALA 81 Ca 0.13 1.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.58 1wgg s ALA 81 Cb -0.22 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 1wgg s ALA 81 CO -0.05 -0.37 1.86 -0.48 0.00 0.00 0.00 175.76 176.72 1wgg s LEU 82 N -1.41 3.79 -0.63 0.00 0.05 -1.26 -4.90 118.68 114.32 1wgg s LEU 82 Ca 0.08 1.79 -0.27 0.00 0.05 0.00 0.00 54.13 55.78 1wgg s LEU 82 Cb -0.01 -3.53 0.01 0.00 -2.05 0.00 0.00 46.19 40.61 1wgg s LEU 82 CO -0.05 -1.49 1.54 -2.16 -0.55 0.00 0.00 176.35 173.64 1wgg s PRO 83 N 5.24 3.04 -0.64 1.48 0.04 -1.26 -4.90 135.00 138.01 1wgg s PRO 83 Ca 0.83 0.32 0.06 0.00 0.04 0.00 0.00 61.00 62.25 1wgg s PRO 83 Cb -0.29 -4.23 0.25 0.00 0.04 0.00 0.00 34.50 30.27 1wgg s PRO 83 CO 0.33 -2.27 0.76 -0.85 0.04 0.00 0.00 177.00 175.01 1wgg n GLU 84 N 9.05 2.56 0.00 4.56 0.28 -1.26 -4.71 120.64 131.11 1wgg n GLU 84 Ca 0.13 -4.68 0.00 0.00 -0.16 0.00 0.00 57.16 52.45 1wgg n GLU 84 Cb 0.50 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 31.12 1wgg n GLU 84 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wgg n GLU 85 N 0.80 0.00 -2.51 3.44 1.02 -1.26 -5.14 120.64 116.99 1wgg n GLU 85 Ca 0.30 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.05 1wgg n GLU 85 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.79 1wgg n GLU 85 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wgg s PRO 86 N 0.00 4.51 0.10 3.49 0.04 -1.26 -5.06 135.00 136.83 1wgg s PRO 86 Ca 0.00 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.81 1wgg s PRO 86 Cb 0.00 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 1wgg s PRO 86 CO 0.00 0.13 -0.17 -1.54 0.04 0.00 0.00 177.00 175.46 1wgg s SER 87 N -1.10 2.18 -0.88 6.66 1.04 -1.26 -5.00 113.70 115.35 1wgg s SER 87 Ca 0.48 -0.70 -0.23 0.00 0.48 0.00 0.00 55.95 55.97 1wgg s SER 87 Cb -0.29 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 65.79 1wgg s SER 87 CO 0.36 -0.03 1.29 0.00 0.98 0.00 0.00 173.24 175.84 1wgg s ALA 88 N -1.45 2.87 0.07 5.32 0.00 -1.26 -4.65 121.76 122.66 1wgg s ALA 88 Ca 0.05 -2.02 -0.00 0.00 0.00 0.00 0.00 51.96 49.99 1wgg s ALA 88 Cb -0.09 -4.29 -0.00 0.00 0.00 0.00 0.00 23.12 18.74 1wgg s ALA 88 CO 0.04 -3.31 -0.00 1.17 0.00 0.00 0.00 175.76 173.65 1wgg n LYS 89 N 8.52 0.00 -2.89 0.00 0.00 -1.26 -5.10 118.16 117.43 1wgg n LYS 89 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.46 1wgg n LYS 89 Cb 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1wgg n LYS 89 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1wgg n THR 90 N -3.20 -9.01 -0.04 3.15 -1.04 -1.26 -5.00 114.28 97.87 1wgg n THR 90 Ca -0.00 1.33 -0.07 0.00 -2.04 0.00 0.00 64.05 63.27 1wgg n THR 90 Cb 0.00 -5.81 -0.02 0.00 -1.82 0.00 0.00 70.33 62.68 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 0.71 1.59 -4.67 8.00 2.88 -1.26 -4.97 113.62 115.91 1wgg n SER 91 Ca 0.01 0.25 -0.53 0.00 -1.33 0.00 0.00 58.87 57.27 1wgg n SER 91 Cb 0.21 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.03 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 2.20 1.08 0.09 0.46 0.00 -1.26 -4.87 105.19 102.90 1wgg n GLY 92 Ca -0.11 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 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 8.68 -0.09 0.00 1.61 0.13 -1.96 -3.49 132.00 136.88 1wgg h PRO 93 Ca -0.45 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wgg h PRO 93 Cb 1.30 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1wgg h PRO 93 CO 0.96 0.50 0.00 0.43 -0.23 0.00 0.00 178.00 179.66 1wgg n SER 94 N -4.80 -0.32 -3.67 1.44 7.64 -1.26 -5.09 113.62 107.56 1wgg n SER 94 Ca -0.08 0.48 -0.12 0.00 1.01 0.00 0.00 58.87 60.16 1wgg n SER 94 Cb 0.31 0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 64.09 1wgg n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgg s SER 95 N -2.00 0.13 0.00 6.43 0.15 -1.26 -4.88 113.70 112.26 1wgg s SER 95 Ca 0.00 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1wgg s SER 95 Cb 0.00 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1wgg s SER 95 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82