#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 7.14 -0.29 1.61 0.15 -1.26 -4.98 113.70 116.07 1wgg s SER 2 Ca 0.00 1.47 -0.24 0.00 0.70 0.00 0.00 55.95 57.88 1wgg s SER 2 Cb 0.00 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.92 1wgg s SER 2 CO 0.00 -0.59 1.24 -0.94 1.20 0.00 0.00 173.24 174.14 1wgg s SER 3 N 1.22 -0.25 -0.30 5.45 1.04 -1.26 -5.16 113.70 114.45 1wgg s SER 3 Ca 0.47 0.47 -0.10 0.00 0.48 0.00 0.00 55.95 57.27 1wgg s SER 3 Cb -0.17 0.52 0.16 0.00 0.10 0.00 0.00 66.02 66.63 1wgg s SER 3 CO 0.11 -0.08 0.79 -0.83 0.98 0.00 0.00 173.24 174.21 1wgg s GLY 4 N 0.20 -0.57 0.03 7.32 0.00 -1.26 -5.05 107.32 107.98 1wgg s GLY 4 Ca 0.04 2.52 0.00 0.00 0.00 0.00 0.00 44.72 47.28 1wgg s GLY 4 CO -0.11 3.26 0.00 1.44 0.00 0.00 0.00 173.10 177.69 1wgg n SER 5 N 5.30 0.01 -0.05 1.64 7.64 -1.26 -4.92 113.62 121.99 1wgg n SER 5 Ca -0.08 0.04 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 1wgg n SER 5 Cb 0.51 0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1wgg n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wgg h SER 6 N 0.00 0.54 -0.44 6.43 0.02 -1.97 -3.44 113.55 114.68 1wgg h SER 6 Ca 0.00 -0.57 -0.70 0.00 -0.84 0.00 0.00 61.79 59.67 1wgg h SER 6 Cb 0.00 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1wgg h SER 6 CO 0.00 1.01 0.84 0.61 -1.14 0.00 0.00 176.83 178.16 1wgg n GLY 7 N 0.48 0.02 3.95 -3.77 0.00 -1.26 -4.59 105.19 100.02 1wgg n GLY 7 Ca -0.07 0.90 -0.23 0.00 0.00 0.00 0.00 46.02 46.63 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 3.78 3.35 -0.22 1.61 1.51 0.17 -4.93 117.35 122.61 1wgg s TYR 8 Ca 0.95 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 57.24 1wgg s TYR 8 Cb -1.28 -2.04 0.05 0.00 -0.11 0.00 0.00 41.96 38.58 1wgg s TYR 8 CO 0.63 -0.06 -0.09 -1.12 -1.11 0.00 0.00 175.55 173.81 1wgg s SER 9 N -4.12 3.66 0.42 2.29 0.01 -1.26 -1.63 113.70 113.08 1wgg s SER 9 Ca 0.43 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.71 1wgg s SER 9 Cb -0.10 -1.26 -0.07 0.00 0.21 0.00 0.00 66.02 64.80 1wgg s SER 9 CO 0.36 -0.17 0.01 0.68 0.41 0.00 0.00 173.24 174.53 1wgg s VAL 10 N 1.35 1.77 -0.17 3.43 -7.23 -1.22 0.10 120.40 118.44 1wgg s VAL 10 Ca -0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1wgg s VAL 10 Cb -0.17 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1wgg s VAL 10 CO -0.07 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.74 1wgg s THR 11 N -2.79 3.24 -0.20 5.32 2.01 -0.95 -2.60 115.64 119.67 1wgg s THR 11 Ca 0.29 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1wgg s THR 11 Cb 0.08 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1wgg s THR 11 CO 0.15 0.48 0.59 -0.69 -0.69 0.00 0.00 174.62 174.46 1wgg s VAL 12 N 0.81 5.05 -0.28 3.82 1.01 -0.31 0.19 120.40 130.69 1wgg s VAL 12 Ca -0.03 1.10 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 1wgg s VAL 12 Cb -0.15 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1wgg s VAL 12 CO 0.01 0.14 -0.05 -0.54 0.00 0.00 0.00 175.10 174.66 1wgg s LYS 13 N 1.80 2.40 -0.25 2.72 1.02 -0.02 -1.56 119.74 125.84 1wgg s LYS 13 Ca 0.27 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 55.01 1wgg s LYS 13 Cb -0.16 -3.06 0.06 0.00 -0.52 0.00 0.00 37.83 34.15 1wgg s LYS 13 CO 0.10 -0.58 -0.11 -0.46 -0.92 0.00 0.00 175.35 173.38 1wgg s TRP 14 N 1.20 3.05 0.01 3.18 -0.00 -1.22 -2.41 118.94 122.75 1wgg s TRP 14 Ca -0.06 -2.14 -0.33 0.00 -0.00 0.00 0.00 56.10 53.56 1wgg s TRP 14 Cb -0.20 -1.86 -0.17 0.00 -0.00 0.00 0.00 33.47 31.24 1wgg s TRP 14 CO -0.03 -0.85 0.88 0.41 -0.00 0.00 0.00 176.95 177.36 1wgg n GLY 15 N 4.50 -0.29 1.81 5.86 0.00 -1.26 0.18 105.19 115.99 1wgg n GLY 15 Ca -0.14 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1wgg n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wgg n LYS 16 N 1.25 0.00 -4.42 1.61 0.00 -1.26 -4.96 118.16 110.37 1wgg n LYS 16 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.22 1wgg n LYS 16 Cb 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.01 1wgg n LYS 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1wgg s GLU 17 N 0.00 2.04 -0.06 1.64 0.41 0.48 -5.15 118.70 118.07 1wgg s GLU 17 Ca 0.00 -1.94 -0.03 0.00 -0.41 0.00 0.00 54.97 52.59 1wgg s GLU 17 Cb 0.00 -1.80 0.03 0.00 -1.78 0.00 0.00 34.13 30.58 1wgg s GLU 17 CO 0.00 -0.00 0.13 0.21 -0.49 0.00 0.00 175.26 175.11 1wgg s LYS 18 N -3.75 0.09 -0.15 1.61 2.20 -1.26 -3.46 119.74 115.02 1wgg s LYS 18 Ca 0.36 0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 56.27 1wgg s LYS 18 Cb 0.05 -0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.27 1wgg s LYS 18 CO 0.19 -0.14 0.02 -0.06 -0.36 0.00 0.00 175.35 175.00 1wgg s PHE 19 N 1.00 0.97 -0.13 4.03 0.08 -0.60 -5.00 117.98 118.32 1wgg s PHE 19 Ca -0.08 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.34 1wgg s PHE 19 Cb -0.10 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 1wgg s PHE 19 CO -0.05 -0.52 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.14 1wgg s GLU 20 N 1.88 2.80 0.00 0.44 2.02 -1.26 -1.16 118.70 123.42 1wgg s GLU 20 Ca 0.01 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1wgg s GLU 20 Cb -0.15 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1wgg s GLU 20 CO -0.07 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1wgg n GLY 21 N 4.10 0.81 3.86 -1.39 0.00 -1.26 -5.03 105.19 106.29 1wgg n GLY 21 Ca -0.20 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.12 5.37 0.04 1.61 1.01 -1.07 -5.04 120.40 120.20 1wgg s VAL 22 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1wgg s VAL 22 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wgg s VAL 22 CO 0.00 0.62 1.02 -1.61 0.00 0.00 0.00 175.10 175.13 1wgg s GLU 23 N -1.01 4.57 0.00 2.72 0.41 -1.26 -3.43 118.70 120.70 1wgg s GLU 23 Ca 0.15 1.50 0.01 0.00 -0.41 0.00 0.00 54.97 56.22 1wgg s GLU 23 Cb -0.12 -3.41 -0.00 0.00 -1.78 0.00 0.00 34.13 28.81 1wgg s GLU 23 CO 0.04 -0.02 -0.03 -1.17 -0.49 0.00 0.00 175.26 173.58 1wgg s LEU 24 N 0.73 2.04 -0.03 1.80 2.96 -0.65 -4.95 118.68 120.58 1wgg s LEU 24 Ca 0.52 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1wgg s LEU 24 Cb -0.23 -0.13 -0.00 0.00 0.50 0.00 0.00 46.19 46.33 1wgg s LEU 24 CO 0.29 -0.01 -0.12 0.20 -1.32 0.00 0.00 176.35 175.39 1wgg s ASN 25 N -0.27 1.54 -0.19 3.68 -0.87 -1.26 0.42 114.94 117.99 1wgg s ASN 25 Ca -0.01 -0.24 0.14 0.00 -1.57 0.00 0.00 52.86 51.18 1wgg s ASN 25 Cb -0.02 -0.35 -0.23 0.00 -0.02 0.00 0.00 41.25 40.62 1wgg s ASN 25 CO -0.00 0.11 0.09 0.35 -2.57 0.00 0.00 177.10 175.08 1wgg n THR 26 N 3.11 1.44 0.02 1.60 -2.24 -1.26 -4.18 114.28 112.76 1wgg n THR 26 Ca -0.17 -0.80 0.22 0.00 -2.27 0.00 0.00 64.05 61.04 1wgg n THR 26 Cb 0.54 -0.72 0.67 0.00 -2.10 0.00 0.00 70.33 68.73 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 -5.93 3.42 3.58 -1.95 -3.40 116.42 112.14 1wgg h ASP 27 Ca -0.52 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.40 1wgg h ASP 27 Cb 2.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 43.18 1wgg h ASP 27 CO 0.02 0.00 -0.21 -0.62 -2.88 0.00 0.00 179.24 175.54 1wgg n GLU 28 N -3.58 0.69 -1.55 0.28 -0.58 -1.26 -5.13 120.64 109.52 1wgg n GLU 28 Ca 0.11 -3.22 -0.29 0.00 -0.42 0.00 0.00 57.16 53.34 1wgg n GLU 28 Cb 0.85 0.21 0.11 0.00 -0.57 0.00 0.00 31.44 32.04 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 -4.25 1.57 0.16 3.49 0.04 -1.26 -4.77 135.00 129.98 1wgg s PRO 29 Ca 0.37 0.44 0.24 0.00 0.04 0.00 0.00 61.00 62.09 1wgg s PRO 29 Cb -0.03 -1.88 0.91 0.00 0.04 0.00 0.00 34.50 33.54 1wgg s PRO 29 CO 0.23 -1.93 1.73 -0.35 0.04 0.00 0.00 177.00 176.72 1wgg n PRO 30 N -3.61 0.15 -0.10 0.56 -0.04 -1.26 -3.07 135.00 127.64 1wgg n PRO 30 Ca 0.07 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1wgg n PRO 30 Cb 0.58 -1.73 0.28 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.75 0.48 0.54 2.86 -1.83 -1.89 114.93 115.84 1wgg h MET 31 Ca 0.00 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1wgg h MET 31 Cb 0.49 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1wgg h MET 31 CO 0.00 0.60 -0.23 0.28 1.06 0.00 0.00 176.91 178.61 1wgg h VAL 32 N 0.75 0.43 -0.83 -2.22 2.07 -1.91 0.27 116.25 114.81 1wgg h VAL 32 Ca 0.19 -0.40 0.24 0.00 0.82 0.00 0.00 66.70 67.54 1wgg h VAL 32 Cb 0.10 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1wgg h VAL 32 CO -0.02 0.06 0.62 0.15 0.02 0.00 0.00 177.57 178.40 1wgg h PHE 33 N -0.92 0.00 0.00 1.57 3.57 -1.66 1.29 116.94 120.79 1wgg h PHE 33 Ca -0.07 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 1wgg h PHE 33 Cb 0.59 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1wgg h PHE 33 CO 0.01 0.00 -0.84 0.87 -2.23 0.00 0.00 178.31 176.12 1wgg h LYS 34 N 0.00 0.00 -0.10 1.11 1.57 -1.04 -3.07 116.57 115.04 1wgg h LYS 34 Ca 0.39 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.03 1wgg h LYS 34 Cb 1.63 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 1wgg h LYS 34 CO -0.00 0.14 -0.56 0.00 -0.57 0.00 0.00 179.45 178.45 1wgg h ALA 35 N 1.79 0.85 0.02 3.86 0.00 0.53 -2.95 119.26 123.35 1wgg h ALA 35 Ca -0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1wgg h ALA 35 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1wgg h ALA 35 CO 0.02 0.70 -0.01 0.37 0.00 0.00 0.00 179.25 180.33 1wgg h GLN 36 N 0.24 -0.02 -1.18 0.00 4.15 -1.21 -3.18 115.11 113.90 1wgg h GLN 36 Ca 0.00 0.00 0.35 0.00 0.77 0.00 0.00 58.65 59.77 1wgg h GLN 36 Cb 1.06 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.66 1wgg h GLN 36 CO 0.09 0.68 0.78 -0.07 -1.93 0.00 0.00 178.83 178.38 1wgg h LEU 37 N -0.76 0.30 -1.71 -2.39 3.38 -1.55 1.43 115.31 114.01 1wgg h LEU 37 Ca -0.00 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.18 1wgg h LEU 37 Cb 0.71 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1wgg h LEU 37 CO 0.00 -0.02 0.42 0.15 0.09 0.00 0.00 178.44 179.08 1wgg h PHE 38 N 0.22 0.34 0.00 1.13 3.57 -1.49 0.66 116.94 121.37 1wgg h PHE 38 Ca 0.68 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.19 1wgg h PHE 38 Cb 2.05 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.68 1wgg h PHE 38 CO -0.00 0.15 -0.96 0.00 -2.23 0.00 0.00 178.31 175.27 1wgg n ALA 39 N -2.55 2.99 -0.01 2.41 0.00 0.48 -1.60 120.51 122.23 1wgg n ALA 39 Ca 0.11 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 1wgg n ALA 39 Cb 0.46 -1.05 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 0.00 0.23 0.00 0.00 3.38 0.96 -3.43 115.31 116.44 1wgg h LEU 40 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1wgg h LEU 40 Cb 0.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1wgg h LEU 40 CO 0.00 1.15 -0.34 0.35 0.09 0.00 0.00 178.44 179.69 1wgg n THR 41 N -4.39 0.76 0.00 0.22 -2.24 0.19 -5.06 114.28 103.75 1wgg n THR 41 Ca -0.11 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1wgg n THR 41 Cb 0.62 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 3.74 3.38 0.00 -0.63 -5.03 105.19 109.48 1wgg n GLY 42 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 3.97 0.84 1.61 1.01 -1.26 -4.71 120.40 121.87 1wgg s VAL 43 Ca 0.00 1.76 -0.13 0.00 0.00 0.00 0.00 61.98 63.60 1wgg s VAL 43 Cb 0.00 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.33 1wgg s VAL 43 CO 0.00 0.33 0.93 0.00 0.00 0.00 0.00 175.10 176.36 1wgg n GLN 44 N 2.20 -0.01 0.00 2.72 1.13 -1.26 -3.99 117.38 118.17 1wgg n GLN 44 Ca 0.02 0.07 0.11 0.00 -1.94 0.00 0.00 57.00 55.25 1wgg n GLN 44 Cb 0.47 -2.22 0.65 0.00 0.11 0.00 0.00 30.24 29.25 1wgg n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1wgg n PRO 45 N -2.75 0.75 -0.10 -1.09 -0.04 -1.26 0.01 135.00 130.53 1wgg n PRO 45 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1wgg n PRO 45 Cb 0.51 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.96 1.52 -0.04 0.55 0.00 -1.26 -4.45 120.51 115.87 1wgg n ALA 46 Ca 0.16 -1.25 -0.05 0.00 0.00 0.00 0.00 53.44 52.31 1wgg n ALA 46 Cb 0.08 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.78 0.66 -1.61 0.00 1.74 -1.01 -4.80 116.66 108.85 1wgg n ARG 47 Ca -0.33 0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.63 1wgg n ARG 47 Cb 1.11 -1.65 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 -2.75 1.80 -0.83 5.56 -0.21 0.10 -4.57 119.66 118.76 1wgg s GLN 48 Ca -0.07 0.68 -0.25 0.00 0.02 0.00 0.00 55.36 55.74 1wgg s GLN 48 Cb 0.08 -4.74 -0.03 0.00 1.00 0.00 0.00 33.01 29.32 1wgg s GLN 48 CO 0.83 -4.05 1.84 0.21 -2.12 0.00 0.00 175.29 172.00 1wgg s LYS 49 N 8.58 2.72 -0.55 2.91 2.20 -0.46 -4.85 119.74 130.29 1wgg s LYS 49 Ca 0.92 -0.14 -0.25 0.00 -0.36 0.00 0.00 55.97 56.13 1wgg s LYS 49 Cb -0.14 -4.88 0.04 0.00 -1.51 0.00 0.00 37.83 31.34 1wgg s LYS 49 CO 0.12 -3.02 1.00 0.08 -0.36 0.00 0.00 175.35 173.17 1wgg s VAL 50 N 9.06 4.31 0.78 4.02 1.01 -1.26 -2.40 120.40 135.92 1wgg s VAL 50 Ca 0.65 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 1wgg s VAL 50 Cb -0.08 -4.58 0.08 0.00 0.00 0.00 0.00 36.38 31.81 1wgg s VAL 50 CO 0.05 -1.14 1.13 -0.04 0.00 0.00 0.00 175.10 175.09 1wgg s MET 51 N 4.18 1.94 0.06 2.72 -1.94 0.44 -1.87 119.30 124.82 1wgg s MET 51 Ca 0.34 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 54.25 1wgg s MET 51 Cb -0.11 -2.03 -0.03 0.00 2.01 0.00 0.00 34.83 34.67 1wgg s MET 51 CO 0.22 -1.53 -0.05 0.08 -0.01 0.00 0.00 175.02 173.72 1wgg s VAL 52 N -3.48 0.47 0.20 -6.03 1.01 0.49 -4.25 120.40 108.82 1wgg s VAL 52 Ca 0.62 -1.59 0.06 0.00 0.00 0.00 0.00 61.98 61.07 1wgg s VAL 52 Cb -0.10 -1.23 0.24 0.00 0.00 0.00 0.00 36.38 35.28 1wgg s VAL 52 CO 0.48 -0.75 0.94 0.29 0.00 0.00 0.00 175.10 176.06 1wgg n LYS 53 N 0.52 -0.04 -2.70 2.72 4.76 -1.26 -2.14 118.16 120.02 1wgg n LYS 53 Ca -0.16 0.87 -0.05 0.00 -2.87 0.00 0.00 58.31 56.10 1wgg n LYS 53 Cb 0.59 -1.45 0.11 0.00 -1.84 0.00 0.00 35.03 32.43 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 -1.25 1.65 0.00 0.72 0.00 -1.26 -5.13 105.19 99.92 1wgg n GLY 54 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.86 0.52 3.24 -0.02 0.00 -0.91 -5.17 105.19 101.99 1wgg n GLY 55 Ca -0.06 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.07 1.62 -0.18 2.61 2.01 -1.26 0.19 115.64 118.56 1wgg s THR 56 Ca 0.00 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.50 1wgg s THR 56 Cb 0.00 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 1wgg s THR 56 CO 0.00 0.17 1.29 -0.22 -0.69 0.00 0.00 174.62 175.17 1wgg s LEU 57 N -1.22 4.15 0.00 4.42 0.20 -0.78 -4.91 118.68 120.53 1wgg s LEU 57 Ca 0.07 1.66 -0.05 0.00 0.69 0.00 0.00 54.13 56.49 1wgg s LEU 57 Cb -0.09 -3.54 0.08 0.00 -0.43 0.00 0.00 46.19 42.22 1wgg s LEU 57 CO 0.02 -0.82 0.21 0.29 -0.29 0.00 0.00 176.35 175.76 1wgg n LYS 58 N 6.74 -2.33 0.00 1.98 5.02 -1.26 -4.87 118.16 123.44 1wgg n LYS 58 Ca 0.14 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1wgg n LYS 58 Cb 0.45 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 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 -3.59 0.72 0.32 4.39 8.00 -1.26 -4.63 116.55 120.50 1wgg n ASP 59 Ca 0.03 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 1wgg n ASP 59 Cb 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.67 -5.04 -2.24 3.32 -1.98 -3.32 116.42 106.48 1wgg h ASP 60 Ca 0.00 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1wgg h ASP 60 Cb 0.66 0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.24 1wgg h ASP 60 CO 0.00 -0.44 -0.02 -1.81 -1.72 0.00 0.00 179.24 175.25 1wgg s ASP 61 N -4.53 -0.34 0.02 6.45 1.01 -1.26 -4.67 116.67 113.34 1wgg s ASP 61 Ca -0.17 -0.06 -0.20 0.00 0.71 0.00 0.00 52.55 52.83 1wgg s ASP 61 Cb 0.03 0.48 -0.11 0.00 1.01 0.00 0.00 42.92 44.33 1wgg s ASP 61 CO 0.60 -0.78 1.07 -0.50 0.21 0.00 0.00 175.17 175.78 1wgg h TRP 62 N 2.62 -0.66 0.00 4.23 4.06 -1.90 -3.41 115.95 120.89 1wgg h TRP 62 Ca -0.32 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1wgg h TRP 62 Cb 1.23 0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.61 1wgg h TRP 62 CO 0.35 -0.41 0.00 0.41 -3.56 0.00 0.00 178.44 175.23 1wgg n GLY 63 N -0.71 1.04 2.20 1.49 0.00 -1.26 -4.35 105.19 103.60 1wgg n GLY 63 Ca -0.09 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.11 1wgg n GLY 63 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wgg n ASN 64 N 0.16 6.43 -4.76 1.61 6.94 -1.26 -4.91 115.26 119.47 1wgg n ASN 64 Ca 0.00 -3.12 -0.38 0.00 -0.02 0.00 0.00 54.58 51.06 1wgg n ASN 64 Cb 0.00 -1.16 -0.06 0.00 -2.36 0.00 0.00 39.78 36.20 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1wgg s ILE 65 N -2.15 5.01 -0.43 1.53 1.01 -1.26 -5.04 121.20 119.87 1wgg s ILE 65 Ca 0.47 1.13 -0.16 0.00 0.00 0.00 0.00 60.65 62.09 1wgg s ILE 65 Cb 0.32 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1wgg s ILE 65 CO -0.11 0.40 0.37 -0.75 0.00 0.00 0.00 174.94 174.85 1wgg s LYS 66 N -0.00 3.02 0.06 2.79 2.20 -1.26 -5.06 119.74 121.48 1wgg s LYS 66 Ca 0.29 -0.98 0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1wgg s LYS 66 Cb -0.17 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 1wgg s LYS 66 CO 0.15 -0.84 0.01 -1.64 -0.36 0.00 0.00 175.35 172.67 1wgg s MET 67 N 1.86 2.69 0.08 4.03 -1.94 -1.26 -5.06 119.30 119.70 1wgg s MET 67 Ca 0.07 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.36 1wgg s MET 67 Cb -0.19 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.00 1wgg s MET 67 CO 0.11 0.57 -0.11 0.15 -0.01 0.00 0.00 175.02 175.74 1wgg s LYS 68 N -2.06 0.78 -0.40 2.03 3.01 -1.26 -5.11 119.74 116.74 1wgg s LYS 68 Ca 0.24 -1.04 -0.22 0.00 -1.01 0.00 0.00 55.97 53.94 1wgg s LYS 68 Cb -0.12 -0.55 0.01 0.00 -1.01 0.00 0.00 37.83 36.16 1wgg s LYS 68 CO 0.16 0.10 0.72 -0.80 0.51 0.00 0.00 175.35 176.04 1wgg s ASN 69 N -2.13 6.44 0.00 2.83 0.01 -1.26 -3.68 114.94 117.15 1wgg s ASN 69 Ca 0.01 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1wgg s ASN 69 Cb -0.06 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1wgg s ASN 69 CO 0.01 -0.75 0.00 0.61 -1.51 0.00 0.00 177.10 175.46 1wgg n GLY 70 N 4.79 1.13 1.38 0.66 0.00 0.29 -4.90 105.19 108.54 1wgg n GLY 70 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.13 -4.73 1.61 0.00 -1.24 -4.63 117.12 107.00 1wgg n MET 71 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 57.70 57.06 1wgg n MET 71 Cb 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 33.22 32.36 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 -1.26 1.26 -0.25 3.17 2.01 -1.26 -2.24 115.64 117.06 1wgg s THR 72 Ca 0.18 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1wgg s THR 72 Cb -0.03 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 1wgg s THR 72 CO 0.15 0.37 0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 1wgg s VAL 73 N -0.09 3.95 -0.15 3.82 1.01 0.50 -4.78 120.40 124.66 1wgg s VAL 73 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 1wgg s VAL 73 Cb -0.09 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1wgg s VAL 73 CO 0.01 0.29 0.49 -0.22 0.00 0.00 0.00 175.10 175.67 1wgg s LEU 74 N 1.54 4.23 0.11 3.92 1.98 -1.26 -0.84 118.68 128.35 1wgg s LEU 74 Ca 0.05 0.76 0.10 0.00 -2.89 0.00 0.00 54.13 52.16 1wgg s LEU 74 Cb -0.15 -2.70 -0.04 0.00 0.66 0.00 0.00 46.19 43.96 1wgg s LEU 74 CO 0.01 -0.07 -0.26 -0.32 -1.89 0.00 0.00 176.35 173.83 1wgg s MET 75 N 1.01 1.55 -0.09 1.98 -2.45 -1.01 -0.42 119.30 119.86 1wgg s MET 75 Ca 0.25 -1.27 -0.04 0.00 -1.25 0.00 0.00 55.69 53.39 1wgg s MET 75 Cb -0.15 -1.94 0.05 0.00 1.25 0.00 0.00 34.83 34.03 1wgg s MET 75 CO 0.10 0.47 0.20 -1.64 1.05 0.00 0.00 175.02 175.20 1wgg s MET 76 N -1.85 0.11 0.00 4.11 -1.94 -1.01 -4.60 119.30 114.13 1wgg s MET 76 Ca 0.14 0.55 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 1wgg s MET 76 Cb -0.10 -0.16 0.00 0.00 2.01 0.00 0.00 34.83 36.58 1wgg s MET 76 CO 0.05 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 1wgg n GLY 77 N 4.79 -0.21 3.31 -0.03 0.00 -1.26 -1.35 105.19 110.45 1wgg n GLY 77 Ca -0.15 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 1wgg n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg s SER 78 N 0.00 1.34 -0.22 1.61 0.01 -1.26 -4.97 113.70 110.20 1wgg s SER 78 Ca 0.00 -1.33 -0.04 0.00 1.31 0.00 0.00 55.95 55.89 1wgg s SER 78 Cb 0.00 0.12 0.08 0.00 0.21 0.00 0.00 66.02 66.43 1wgg s SER 78 CO 0.00 -0.67 0.10 0.00 0.41 0.00 0.00 173.24 173.07 1wgg s ALA 79 N -3.67 0.65 -0.16 1.44 0.00 -1.26 -4.53 121.76 114.23 1wgg s ALA 79 Ca 0.34 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 1wgg s ALA 79 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1wgg s ALA 79 CO 0.12 -1.37 0.75 0.34 0.00 0.00 0.00 175.76 175.59 1wgg s ASP 80 N 2.05 6.88 -0.07 0.00 -1.08 -1.26 -4.98 116.67 118.21 1wgg s ASP 80 Ca 0.04 1.08 -0.31 0.00 -0.52 0.00 0.00 52.55 52.84 1wgg s ASP 80 Cb -0.16 -2.41 0.12 0.00 -1.46 0.00 0.00 42.92 39.00 1wgg s ASP 80 CO -0.19 -0.30 1.36 0.00 0.52 0.00 0.00 175.17 176.55 1wgg s ALA 81 N 1.80 -2.57 0.80 3.66 0.00 -1.26 -5.15 121.76 119.04 1wgg s ALA 81 Ca 0.35 0.44 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1wgg s ALA 81 Cb -0.17 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1wgg s ALA 81 CO 0.13 -1.12 0.81 1.28 0.00 0.00 0.00 175.76 176.86 1wgg n LEU 82 N -0.76 2.31 -4.56 0.00 4.77 -1.26 -4.82 117.00 112.68 1wgg n LEU 82 Ca -0.01 0.55 -0.35 0.00 -0.03 0.00 0.00 56.01 56.17 1wgg n LEU 82 Cb 0.61 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.31 1wgg n LEU 82 CO 0.13 -2.55 1.41 -2.16 -1.33 0.00 0.00 177.39 172.89 1wgg s PRO 83 N -3.49 3.04 -0.25 3.23 0.04 -1.26 -4.88 135.00 131.43 1wgg s PRO 83 Ca 0.68 -0.50 -0.13 0.00 0.04 0.00 0.00 61.00 61.09 1wgg s PRO 83 Cb -0.30 -4.99 0.08 0.00 0.04 0.00 0.00 34.50 29.34 1wgg s PRO 83 CO 0.56 -2.69 0.60 -2.00 0.04 0.00 0.00 177.00 173.50 1wgg s GLU 84 N 6.07 0.58 -0.40 4.56 2.12 -1.26 -5.12 118.70 125.25 1wgg s GLU 84 Ca 0.56 1.15 0.01 0.00 0.36 0.00 0.00 54.97 57.05 1wgg s GLU 84 Cb -0.05 0.23 0.13 0.00 0.26 0.00 0.00 34.13 34.70 1wgg s GLU 84 CO 0.00 -0.17 0.20 -2.00 -0.54 0.00 0.00 175.26 172.76 1wgg s GLU 85 N 1.86 1.04 0.61 4.30 2.12 -1.26 -5.12 118.70 122.25 1wgg s GLU 85 Ca -0.09 -1.70 -0.15 0.00 0.36 0.00 0.00 54.97 53.40 1wgg s GLU 85 Cb -0.07 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1wgg s GLU 85 CO -0.18 -1.13 1.05 -1.25 -0.54 0.00 0.00 175.26 173.21 1wgg s PRO 86 N 0.74 3.30 0.16 4.30 0.04 -1.26 -5.08 135.00 137.19 1wgg s PRO 86 Ca 0.16 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1wgg s PRO 86 Cb -0.23 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1wgg s PRO 86 CO -0.04 -0.82 0.16 0.45 0.04 0.00 0.00 177.00 176.78 1wgg s SER 87 N -3.05 0.18 0.23 6.66 0.15 -1.26 -5.08 113.70 111.53 1wgg s SER 87 Ca 0.62 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1wgg s SER 87 Cb -0.15 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1wgg s SER 87 CO 0.41 -0.82 0.00 0.00 1.20 0.00 0.00 173.24 174.03 1wgg n ALA 88 N -0.17 3.00 -1.52 5.45 0.00 -1.26 -5.16 120.51 120.85 1wgg n ALA 88 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1wgg n ALA 88 Cb 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 19.45 20.14 1wgg n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wgg n LYS 89 N -3.41 -3.92 -3.63 0.00 4.81 -1.26 -5.04 118.16 105.71 1wgg n LYS 89 Ca 0.00 3.06 -0.15 0.00 -0.87 0.00 0.00 58.31 60.35 1wgg n LYS 89 Cb 0.01 -3.90 -0.07 0.00 0.02 0.00 0.00 35.03 31.09 1wgg n LYS 89 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1wgg s THR 90 N -5.24 0.01 -0.24 3.15 -1.32 -1.26 -5.17 115.64 105.56 1wgg s THR 90 Ca 0.00 -0.07 -0.36 0.00 -1.21 0.00 0.00 61.69 60.05 1wgg s THR 90 Cb 0.00 -0.87 0.15 0.00 -1.51 0.00 0.00 72.50 70.27 1wgg s THR 90 CO 0.00 -0.04 1.29 -0.94 -2.21 0.00 0.00 174.62 172.72 1wgg s SER 91 N -0.45 -0.08 -0.13 8.08 1.04 -1.26 -5.16 113.70 115.75 1wgg s SER 91 Ca -0.06 0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.29 1wgg s SER 91 Cb -0.03 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 1wgg s SER 91 CO 0.05 -0.13 0.19 -0.83 0.98 0.00 0.00 173.24 173.49 1wgg s GLY 92 N -1.98 2.18 -0.07 7.32 0.00 -1.26 -5.02 107.32 108.49 1wgg s GLY 92 Ca 0.10 -0.58 -0.21 0.00 0.00 0.00 0.00 44.72 44.04 1wgg s GLY 92 CO -0.04 -0.11 0.77 -0.56 0.00 0.00 0.00 173.10 173.17 1wgg h PRO 93 N 5.51 -0.13 -6.06 2.90 0.13 -2.08 -3.45 132.00 128.82 1wgg h PRO 93 Ca -0.50 0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 63.87 1wgg h PRO 93 Cb 1.20 0.03 0.05 0.00 0.13 0.00 0.00 31.00 32.41 1wgg h PRO 93 CO 0.64 0.38 0.17 0.45 -0.23 0.00 0.00 178.00 179.41 1wgg n SER 94 N -4.84 0.40 -3.64 1.44 2.88 -1.26 -4.94 113.62 103.65 1wgg n SER 94 Ca -0.07 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.60 1wgg n SER 94 Cb 0.28 -0.98 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 1wgg n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgg s SER 95 N 0.25 -1.09 0.00 -3.46 0.15 -1.26 -5.25 113.70 103.04 1wgg s SER 95 Ca 0.90 1.53 0.00 0.00 0.70 0.00 0.00 55.95 59.08 1wgg s SER 95 Cb -1.21 2.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 1wgg s SER 95 CO 0.56 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.39