#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 0.00 1.61 1.04 -1.26 -4.96 113.70 113.08 1wgg s SER 2 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1wgg s SER 2 Cb 0.00 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1wgg s SER 2 CO 0.00 -0.18 0.00 -1.20 0.98 0.00 0.00 173.24 172.84 1wgg n SER 3 N 4.85 0.00 0.00 7.02 7.64 -1.26 -4.82 113.62 127.05 1wgg n SER 3 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1wgg n SER 3 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 1.50 3.39 0.23 0.00 -1.26 -4.93 105.19 104.12 1wgg n GLY 4 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1wgg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgg n SER 5 N 3.90 -6.03 0.15 1.61 7.64 -1.26 -4.86 113.62 114.77 1wgg n SER 5 Ca 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1wgg n SER 5 Cb 0.00 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.57 1wgg n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wgg n SER 6 N -0.67 -2.71 -3.91 6.43 3.41 -1.26 -5.10 113.62 109.80 1wgg n SER 6 Ca -0.08 0.66 -0.56 0.00 -0.26 0.00 0.00 58.87 58.64 1wgg n SER 6 Cb 0.63 2.68 -0.09 0.00 -0.26 0.00 0.00 64.21 67.17 1wgg n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgg n GLY 7 N -1.39 0.06 3.97 5.00 0.00 -1.26 -4.62 105.19 106.96 1wgg n GLY 7 Ca 0.00 0.89 -0.21 0.00 0.00 0.00 0.00 46.02 46.70 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 3.43 3.28 -0.22 1.61 1.51 0.24 -4.95 117.35 122.25 1wgg s TYR 8 Ca 0.94 -0.00 0.02 0.00 -1.01 0.00 0.00 57.07 57.01 1wgg s TYR 8 Cb -1.28 -1.92 0.04 0.00 -0.11 0.00 0.00 41.96 38.69 1wgg s TYR 8 CO 0.65 0.07 -0.14 -1.12 -1.11 0.00 0.00 175.55 173.91 1wgg s SER 9 N -4.11 3.73 0.40 2.29 0.01 -1.26 -1.90 113.70 112.86 1wgg s SER 9 Ca 0.42 -1.01 0.04 0.00 1.31 0.00 0.00 55.95 56.70 1wgg s SER 9 Cb -0.09 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.65 1wgg s SER 9 CO 0.32 -0.12 0.05 0.68 0.41 0.00 0.00 173.24 174.59 1wgg s VAL 10 N 1.24 1.27 -0.16 3.43 -7.23 -1.18 -0.18 120.40 117.60 1wgg s VAL 10 Ca -0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.14 1wgg s VAL 10 Cb -0.17 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.14 1wgg s VAL 10 CO -0.08 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.69 1wgg s THR 11 N -3.05 2.97 -0.19 5.32 2.01 -1.10 -0.71 115.64 120.90 1wgg s THR 11 Ca 0.27 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 1wgg s THR 11 Cb 0.06 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 1wgg s THR 11 CO 0.13 0.50 0.61 -0.69 -0.69 0.00 0.00 174.62 174.48 1wgg s VAL 12 N 0.72 5.04 -0.31 3.82 1.01 -0.67 0.21 120.40 130.22 1wgg s VAL 12 Ca -0.06 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.04 1wgg s VAL 12 Cb -0.15 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1wgg s VAL 12 CO 0.02 0.14 0.02 -0.54 0.00 0.00 0.00 175.10 174.73 1wgg s LYS 13 N 1.77 2.46 -0.23 2.72 1.02 0.47 -2.06 119.74 125.89 1wgg s LYS 13 Ca 0.28 -1.25 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1wgg s LYS 13 Cb -0.16 -3.23 0.06 0.00 -0.52 0.00 0.00 37.83 33.98 1wgg s LYS 13 CO 0.11 -0.63 -0.07 -0.46 -0.92 0.00 0.00 175.35 173.38 1wgg s TRP 14 N 1.28 2.49 0.06 3.18 -0.00 -1.24 0.45 118.94 125.16 1wgg s TRP 14 Ca -0.05 -1.78 -0.35 0.00 -0.00 0.00 0.00 56.10 53.92 1wgg s TRP 14 Cb -0.20 -1.63 -0.18 0.00 -0.00 0.00 0.00 33.47 31.46 1wgg s TRP 14 CO -0.00 -0.78 0.85 0.41 -0.00 0.00 0.00 176.95 177.43 1wgg n GLY 15 N 4.65 -0.74 1.86 5.86 0.00 -1.26 0.14 105.19 115.69 1wgg n GLY 15 Ca -0.13 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 1.28 0.00 -4.49 1.61 0.00 -1.26 -4.97 118.16 110.34 1wgg n LYS 16 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.27 1wgg n LYS 16 Cb 0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 35.03 34.94 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 -0.14 1.70 -0.06 1.64 0.41 0.36 -5.15 118.70 117.46 1wgg s GLU 17 Ca 0.00 -1.92 -0.03 0.00 -0.41 0.00 0.00 54.97 52.61 1wgg s GLU 17 Cb 0.00 -1.16 0.04 0.00 -1.78 0.00 0.00 34.13 31.23 1wgg s GLU 17 CO 0.00 -0.08 0.14 0.21 -0.49 0.00 0.00 175.26 175.04 1wgg s LYS 18 N -3.79 0.10 -0.08 1.61 2.20 -1.26 -3.70 119.74 114.81 1wgg s LYS 18 Ca 0.34 0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1wgg s LYS 18 Cb 0.07 -0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.27 1wgg s LYS 18 CO 0.15 -0.15 0.02 -0.06 -0.36 0.00 0.00 175.35 174.95 1wgg s PHE 19 N 1.06 0.61 -0.10 4.03 0.08 -0.87 -5.02 117.98 117.77 1wgg s PHE 19 Ca -0.08 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.81 1wgg s PHE 19 Cb -0.10 -0.78 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 1wgg s PHE 19 CO -0.05 -0.35 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.29 1wgg s GLU 20 N 1.99 2.84 0.00 0.44 2.02 -1.26 -1.68 118.70 123.05 1wgg s GLU 20 Ca 0.04 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.23 1wgg s GLU 20 Cb -0.13 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.92 1wgg s GLU 20 CO -0.05 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1wgg n GLY 21 N 3.65 0.74 3.92 -1.39 0.00 -1.25 -5.01 105.19 105.85 1wgg n GLY 21 Ca -0.20 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.79 5.18 -0.12 1.61 1.01 0.11 -4.98 120.40 120.42 1wgg s VAL 22 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 1wgg s VAL 22 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1wgg s VAL 22 CO 0.00 -0.12 0.57 -1.61 0.00 0.00 0.00 175.10 173.94 1wgg s GLU 23 N -3.14 4.35 -0.02 2.72 0.41 -1.26 -3.12 118.70 118.64 1wgg s GLU 23 Ca 0.40 0.61 -0.02 0.00 -0.41 0.00 0.00 54.97 55.55 1wgg s GLU 23 Cb -0.11 -3.47 0.00 0.00 -1.78 0.00 0.00 34.13 28.77 1wgg s GLU 23 CO 0.28 0.05 0.05 -1.17 -0.49 0.00 0.00 175.26 173.99 1wgg s LEU 24 N 0.92 1.81 0.06 1.80 2.96 -0.80 -4.97 118.68 120.45 1wgg s LEU 24 Ca 0.30 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1wgg s LEU 24 Cb -0.16 0.22 -0.03 0.00 0.50 0.00 0.00 46.19 46.72 1wgg s LEU 24 CO 0.13 -0.07 -0.15 0.20 -1.32 0.00 0.00 176.35 175.14 1wgg s ASN 25 N -0.20 1.78 -0.16 3.68 -0.87 -1.26 0.79 114.94 118.70 1wgg s ASN 25 Ca -0.02 -0.55 0.10 0.00 -1.57 0.00 0.00 52.86 50.82 1wgg s ASN 25 Cb -0.02 -0.09 -0.17 0.00 -0.02 0.00 0.00 41.25 40.96 1wgg s ASN 25 CO 0.00 -0.01 -0.01 0.35 -2.57 0.00 0.00 177.10 174.86 1wgg n THR 26 N 1.56 1.04 -0.42 1.60 -2.24 -1.26 -4.40 114.28 110.16 1wgg n THR 26 Ca -0.19 -0.57 0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1wgg n THR 26 Cb 0.54 -0.77 0.74 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.06 -5.61 3.42 3.58 -1.96 -3.40 116.42 112.51 1wgg h ASP 27 Ca -0.41 0.02 -0.34 0.00 0.42 0.00 0.00 57.03 56.72 1wgg h ASP 27 Cb 1.84 0.01 0.01 0.00 1.72 0.00 0.00 39.33 42.91 1wgg h ASP 27 CO -0.00 -0.01 -0.07 -0.62 -2.88 0.00 0.00 179.24 175.66 1wgg n GLU 28 N -4.20 0.78 -1.54 0.28 -0.58 -1.26 -5.12 120.64 108.99 1wgg n GLU 28 Ca 0.30 -2.14 -0.29 0.00 -0.42 0.00 0.00 57.16 54.61 1wgg n GLU 28 Cb 1.40 -0.08 0.14 0.00 -0.57 0.00 0.00 31.44 32.33 1wgg n GLU 28 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1wgg s PRO 29 N -3.72 1.03 0.31 3.49 0.04 -1.26 -4.82 135.00 130.07 1wgg s PRO 29 Ca 0.37 0.24 0.15 0.00 0.04 0.00 0.00 61.00 61.81 1wgg s PRO 29 Cb -0.03 -1.83 0.39 0.00 0.04 0.00 0.00 34.50 33.07 1wgg s PRO 29 CO 0.24 -2.26 1.60 -1.00 0.04 0.00 0.00 177.00 175.61 1wgg h PRO 30 N -1.55 0.00 -0.68 0.56 0.13 -1.83 -3.22 132.00 125.42 1wgg h PRO 30 Ca -0.50 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1wgg h PRO 30 Cb 1.33 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.38 1wgg h PRO 30 CO 0.60 0.51 0.29 0.52 -0.23 0.00 0.00 178.00 179.69 1wgg h MET 31 N 0.00 0.47 -0.46 0.86 2.86 -1.83 -1.39 114.93 115.44 1wgg h MET 31 Ca -0.01 -0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1wgg h MET 31 Cb 1.14 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.60 1wgg h MET 31 CO 0.07 0.31 -0.23 0.28 1.06 0.00 0.00 176.91 178.40 1wgg h VAL 32 N 0.48 0.34 -0.52 -2.22 2.07 -1.93 0.76 116.25 115.24 1wgg h VAL 32 Ca 0.35 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.02 1wgg h VAL 32 Cb 0.45 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1wgg h VAL 32 CO -0.32 0.00 0.39 0.15 0.02 0.00 0.00 177.57 177.81 1wgg h PHE 33 N -0.13 0.00 0.07 1.57 3.57 -1.43 0.37 116.94 120.96 1wgg h PHE 33 Ca 0.22 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.47 1wgg h PHE 33 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1wgg h PHE 33 CO -0.49 0.00 -1.13 0.87 -2.23 0.00 0.00 178.31 175.33 1wgg h LYS 34 N 0.00 0.14 0.00 1.11 1.79 0.62 -2.50 116.57 117.74 1wgg h LYS 34 Ca 0.25 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 1wgg h LYS 34 Cb 1.02 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1wgg h LYS 34 CO -0.00 1.11 -0.36 0.00 -1.08 0.00 0.00 179.45 179.12 1wgg h ALA 35 N 0.78 1.39 0.01 3.86 0.00 0.37 -2.53 119.26 123.15 1wgg h ALA 35 Ca -0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1wgg h ALA 35 Cb 1.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1wgg h ALA 35 CO 0.17 0.45 -0.22 0.37 0.00 0.00 0.00 179.25 180.02 1wgg h GLN 36 N 0.00 0.13 -0.79 0.00 4.15 -1.07 -3.19 115.11 114.34 1wgg h GLN 36 Ca -0.00 -0.15 0.23 0.00 0.77 0.00 0.00 58.65 59.49 1wgg h GLN 36 Cb 0.64 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1wgg h GLN 36 CO 0.05 0.94 0.57 -0.07 -1.93 0.00 0.00 178.83 178.39 1wgg h LEU 37 N -0.63 0.00 -0.58 -2.39 3.38 -1.31 0.12 115.31 113.91 1wgg h LEU 37 Ca -0.03 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1wgg h LEU 37 Cb 1.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1wgg h LEU 37 CO 0.04 0.00 0.20 0.15 0.09 0.00 0.00 178.44 178.92 1wgg h PHE 38 N 0.00 0.35 0.00 1.13 3.04 -1.44 0.63 116.94 120.65 1wgg h PHE 38 Ca 0.37 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.35 1wgg h PHE 38 Cb 1.51 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.95 1wgg h PHE 38 CO 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 178.31 176.37 1wgg n ALA 39 N -2.47 2.18 -0.04 2.41 0.00 0.38 0.09 120.51 123.06 1wgg n ALA 39 Ca 0.08 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 1wgg n ALA 39 Cb 0.26 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.14 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 0.14 0.00 0.00 3.38 0.22 -3.44 115.31 115.61 1wgg h LEU 40 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 1wgg h LEU 40 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1wgg h LEU 40 CO 0.00 1.22 -0.27 0.35 0.09 0.00 0.00 178.44 179.84 1wgg n THR 41 N -4.41 1.03 0.00 0.22 -2.24 0.17 -5.06 114.28 103.99 1wgg n THR 41 Ca -0.16 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1wgg n THR 41 Cb 0.63 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 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 2.80 0.59 3.74 3.38 0.00 0.11 -5.02 105.19 110.79 1wgg n GLY 42 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 3.61 0.94 1.61 1.01 -1.26 -4.84 120.40 121.47 1wgg s VAL 43 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1wgg s VAL 43 Cb 0.00 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.56 1wgg s VAL 43 CO 0.00 0.23 0.56 0.00 0.00 0.00 0.00 175.10 175.89 1wgg n GLN 44 N 2.35 -0.31 0.00 2.72 3.00 -1.26 -4.07 117.38 119.80 1wgg n GLN 44 Ca 0.03 -0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.10 1wgg n GLN 44 Cb 0.45 -1.96 0.66 0.00 0.00 0.00 0.00 30.24 29.39 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 -2.19 0.60 -0.07 -1.09 -0.04 -1.26 -1.53 135.00 129.42 1wgg n PRO 45 Ca 0.08 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1wgg n PRO 45 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.10 1.66 -0.94 0.55 0.00 -1.26 -4.41 120.51 115.00 1wgg n ALA 46 Ca 0.15 -0.90 0.06 0.00 0.00 0.00 0.00 53.44 52.76 1wgg n ALA 46 Cb 0.12 -0.03 0.37 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.55 4.38 -3.58 0.00 1.74 -1.06 -4.83 116.66 110.76 1wgg n ARG 47 Ca -0.23 -3.10 -0.40 0.00 -0.77 0.00 0.00 57.85 53.35 1wgg n ARG 47 Cb 0.94 -2.17 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.81 2.43 0.11 5.56 -0.21 -0.58 -4.70 119.66 119.46 1wgg s GLN 48 Ca 0.52 -1.80 -0.31 0.00 0.02 0.00 0.00 55.36 53.79 1wgg s GLN 48 Cb 0.40 -3.89 -0.08 0.00 1.00 0.00 0.00 33.01 30.44 1wgg s GLN 48 CO 0.14 -1.18 1.40 0.21 -2.12 0.00 0.00 175.29 173.74 1wgg s LYS 49 N 1.29 4.31 -0.22 2.91 2.47 -1.09 -4.91 119.74 124.50 1wgg s LYS 49 Ca 0.06 2.09 -0.00 0.00 -1.56 0.00 0.00 55.97 56.56 1wgg s LYS 49 Cb -0.26 -3.25 0.06 0.00 -1.46 0.00 0.00 37.83 32.92 1wgg s LYS 49 CO -0.01 -0.45 -0.03 0.08 0.16 0.00 0.00 175.35 175.10 1wgg s VAL 50 N 1.14 1.20 0.77 4.02 1.01 -1.26 -2.14 120.40 125.15 1wgg s VAL 50 Ca 0.65 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1wgg s VAL 50 Cb -0.37 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.56 1wgg s VAL 50 CO 0.30 -0.12 1.11 -0.04 0.00 0.00 0.00 175.10 176.34 1wgg s MET 51 N 1.55 1.93 0.04 2.72 -1.94 -1.05 -1.74 119.30 120.81 1wgg s MET 51 Ca -0.04 -0.17 -0.03 0.00 -1.71 0.00 0.00 55.69 53.74 1wgg s MET 51 Cb -0.18 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.57 1wgg s MET 51 CO -0.07 -1.50 0.02 0.08 -0.01 0.00 0.00 175.02 173.55 1wgg s VAL 52 N -3.43 0.17 0.19 -6.03 1.01 0.54 -4.53 120.40 108.32 1wgg s VAL 52 Ca 0.62 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1wgg s VAL 52 Cb -0.10 -1.11 0.22 0.00 0.00 0.00 0.00 36.38 35.39 1wgg s VAL 52 CO 0.47 -0.77 0.89 0.29 0.00 0.00 0.00 175.10 175.98 1wgg n LYS 53 N 0.54 -0.04 -2.70 2.72 5.02 -1.26 -2.06 118.16 120.38 1wgg n LYS 53 Ca -0.17 0.82 -0.05 0.00 -2.02 0.00 0.00 58.31 56.89 1wgg n LYS 53 Cb 0.59 -1.38 0.11 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.22 1.62 0.00 0.72 0.00 -1.26 -5.13 105.19 99.91 1wgg n GLY 54 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.47 3.14 -0.02 0.00 -0.88 -5.16 105.19 101.89 1wgg n GLY 55 Ca -0.06 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 1.26 0.23 2.61 2.01 -1.26 0.20 115.64 118.68 1wgg s THR 56 Ca 0.00 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.96 1wgg s THR 56 Cb 0.00 -1.06 -0.11 0.00 0.01 0.00 0.00 72.50 71.35 1wgg s THR 56 CO 0.00 0.32 1.59 -0.22 -0.69 0.00 0.00 174.62 175.62 1wgg s LEU 57 N -0.47 4.37 0.00 4.42 0.20 -0.71 -4.92 118.68 121.55 1wgg s LEU 57 Ca 0.06 2.78 -0.03 0.00 0.69 0.00 0.00 54.13 57.64 1wgg s LEU 57 Cb -0.06 -3.61 0.04 0.00 -0.43 0.00 0.00 46.19 42.12 1wgg s LEU 57 CO -0.00 -0.86 0.15 0.29 -0.29 0.00 0.00 176.35 175.63 1wgg n LYS 58 N 3.15 -1.06 0.00 1.98 5.02 -1.26 -4.89 118.16 121.11 1wgg n LYS 58 Ca 0.11 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1wgg n LYS 58 Cb 0.38 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 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 -3.22 0.86 0.24 4.39 9.92 -1.26 -4.66 116.55 122.83 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 40.48 1wgg n ASP 59 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wgg h ASP 60 N 0.00 -0.52 -5.02 -2.24 3.58 -1.99 -3.34 116.42 106.89 1wgg h ASP 60 Ca 0.00 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.31 1wgg h ASP 60 Cb 0.54 0.14 -0.16 0.00 1.72 0.00 0.00 39.33 41.56 1wgg h ASP 60 CO 0.00 -0.18 0.06 -1.81 -2.88 0.00 0.00 179.24 174.43 1wgg s ASP 61 N -4.82 -0.46 0.05 2.28 1.01 -1.26 -4.65 116.67 108.82 1wgg s ASP 61 Ca -0.15 0.18 -0.33 0.00 0.71 0.00 0.00 52.55 52.97 1wgg s ASP 61 Cb 0.02 0.50 -0.19 0.00 1.01 0.00 0.00 42.92 44.27 1wgg s ASP 61 CO 0.52 -0.74 1.51 -0.50 0.21 0.00 0.00 175.17 176.17 1wgg h TRP 62 N 2.72 -0.92 0.00 4.23 4.06 -1.91 -3.42 115.95 120.71 1wgg h TRP 62 Ca -0.31 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.62 1wgg h TRP 62 Cb 1.22 0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.68 1wgg h TRP 62 CO 0.35 -0.56 0.00 0.41 -3.56 0.00 0.00 178.44 175.08 1wgg n GLY 63 N -1.32 0.90 2.57 1.49 0.00 -1.26 -4.35 105.19 103.22 1wgg n GLY 63 Ca -0.14 -0.76 -0.11 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 0.38 1.39 -4.77 1.61 4.13 -1.26 -5.10 115.26 111.64 1wgg n ASN 64 Ca 0.00 -2.79 -0.39 0.00 1.68 0.00 0.00 54.58 53.08 1wgg n ASN 64 Cb 0.00 -0.55 -0.06 0.00 -1.54 0.00 0.00 39.78 37.63 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 -3.04 4.21 -1.21 2.41 1.01 -1.26 -4.97 121.20 118.35 1wgg s ILE 65 Ca 0.30 1.87 -0.11 0.00 0.00 0.00 0.00 60.65 62.72 1wgg s ILE 65 Cb 0.44 -4.18 0.20 0.00 0.01 0.00 0.00 42.46 38.93 1wgg s ILE 65 CO 0.01 0.40 1.53 0.29 0.00 0.00 0.00 174.94 177.18 1wgg n LYS 66 N 1.25 3.58 -2.57 2.79 4.76 -1.26 -5.00 118.16 121.70 1wgg n LYS 66 Ca -0.02 -3.91 -0.34 0.00 -2.87 0.00 0.00 58.31 51.17 1wgg n LYS 66 Cb 0.48 -2.89 -0.04 0.00 -1.84 0.00 0.00 35.03 30.75 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 0.39 3.91 -0.00 1.97 -1.94 -1.26 -5.06 119.30 117.30 1wgg s MET 67 Ca 0.39 1.37 -0.17 0.00 -1.71 0.00 0.00 55.69 55.57 1wgg s MET 67 Cb 0.01 -2.18 0.03 0.00 2.01 0.00 0.00 34.83 34.69 1wgg s MET 67 CO 0.00 -0.34 0.36 -1.59 -0.01 0.00 0.00 175.02 173.44 1wgg s LYS 68 N -3.10 0.75 -0.38 2.03 -2.85 -1.26 -5.13 119.74 109.81 1wgg s LYS 68 Ca 0.65 -0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 55.18 1wgg s LYS 68 Cb -0.17 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 35.95 1wgg s LYS 68 CO 0.21 -0.22 0.78 -0.80 0.10 0.00 0.00 175.35 175.41 1wgg s ASN 69 N -1.49 6.53 0.00 0.03 0.01 -1.26 -3.69 114.94 115.07 1wgg s ASN 69 Ca -0.11 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1wgg s ASN 69 Cb -0.04 -2.39 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1wgg s ASN 69 CO 0.03 -0.76 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 1wgg n GLY 70 N 4.60 1.87 2.98 0.66 0.00 0.75 -4.92 105.19 111.14 1wgg n GLY 70 Ca 0.03 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.91 -4.57 1.61 0.00 -1.24 -4.72 117.12 106.29 1wgg n MET 71 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 57.70 56.62 1wgg n MET 71 Cb 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 33.22 31.58 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 -2.04 1.68 -0.15 3.17 2.01 -1.26 -2.70 115.64 116.34 1wgg s THR 72 Ca 0.38 -1.27 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1wgg s THR 72 Cb -0.07 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.99 1wgg s THR 72 CO 0.32 0.15 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 1wgg s VAL 73 N -0.88 1.85 -0.11 3.82 1.01 0.58 -4.84 120.40 121.83 1wgg s VAL 73 Ca 0.07 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 1wgg s VAL 73 Cb -0.09 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1wgg s VAL 73 CO 0.02 0.51 0.28 -0.22 0.00 0.00 0.00 175.10 175.68 1wgg s LEU 74 N 1.16 4.35 -0.11 3.92 1.98 -1.26 0.18 118.68 128.89 1wgg s LEU 74 Ca -0.00 0.61 0.03 0.00 -2.89 0.00 0.00 54.13 51.88 1wgg s LEU 74 Cb -0.14 -2.34 0.01 0.00 0.66 0.00 0.00 46.19 44.38 1wgg s LEU 74 CO -0.08 0.25 -0.21 -0.32 -1.89 0.00 0.00 176.35 174.11 1wgg s MET 75 N -0.39 2.75 -0.25 1.98 1.75 0.17 -2.52 119.30 122.79 1wgg s MET 75 Ca 0.18 -0.77 -0.03 0.00 -1.25 0.00 0.00 55.69 53.82 1wgg s MET 75 Cb -0.14 -2.18 0.02 0.00 2.84 0.00 0.00 34.83 35.37 1wgg s MET 75 CO 0.06 0.06 -0.03 -1.64 -0.65 0.00 0.00 175.02 172.82 1wgg s MET 76 N 0.65 3.00 -0.00 4.11 -1.94 -0.91 -4.28 119.30 119.93 1wgg s MET 76 Ca -0.12 -0.88 -0.00 0.00 -1.71 0.00 0.00 55.69 52.97 1wgg s MET 76 Cb -0.16 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.60 1wgg s MET 76 CO 0.03 -0.37 0.01 0.41 -0.01 0.00 0.00 175.02 175.09 1wgg n GLY 77 N 4.74 0.47 1.77 -0.03 0.00 -1.26 -2.68 105.19 108.20 1wgg n GLY 77 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1wgg n GLY 77 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgg n SER 78 N -0.06 0.02 -2.18 1.61 2.88 -1.26 -4.97 113.62 109.66 1wgg n SER 78 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wgg n SER 78 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1wgg n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wgg n ALA 79 N -2.55 -2.88 -2.12 -1.46 0.00 -1.26 -4.83 120.51 105.41 1wgg n ALA 79 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 53.44 53.93 1wgg n ALA 79 Cb 0.08 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.53 -0.24 -1.48 0.00 2.03 -1.26 -4.88 116.55 110.19 1wgg n ASP 80 Ca 0.05 -1.80 0.18 0.00 0.52 0.00 0.00 54.79 53.74 1wgg n ASP 80 Cb 0.26 0.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.12 -3.88 -1.87 -1.67 0.00 -1.26 -4.77 120.51 107.17 1wgg n ALA 81 Ca -0.12 0.93 -0.40 0.00 0.00 0.00 0.00 53.44 53.84 1wgg n ALA 81 Cb 0.77 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1wgg n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgg s LEU 82 N -7.34 4.56 -0.67 0.00 1.43 -1.26 -4.91 118.68 110.51 1wgg s LEU 82 Ca 0.00 2.08 -0.06 0.00 -1.03 0.00 0.00 54.13 55.12 1wgg s LEU 82 Cb 0.00 -3.61 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 1wgg s LEU 82 CO 0.00 -0.06 2.65 -0.81 0.23 0.00 0.00 176.35 178.36 1wgg n PRO 83 N 1.71 2.20 -3.51 1.29 -0.04 -1.26 -4.66 135.00 130.73 1wgg n PRO 83 Ca -0.00 -1.31 -0.33 0.00 -0.04 0.00 0.00 63.50 61.82 1wgg n PRO 83 Cb 0.46 -2.27 0.03 0.00 -0.04 0.00 0.00 33.50 31.68 1wgg n PRO 83 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1wgg n GLU 84 N 3.34 -1.87 -1.53 0.54 2.13 -1.26 -4.63 120.64 117.35 1wgg n GLU 84 Ca 0.47 1.34 -0.52 0.00 0.66 0.00 0.00 57.16 59.10 1wgg n GLU 84 Cb 0.41 -2.47 -0.07 0.00 0.27 0.00 0.00 31.44 29.58 1wgg n GLU 84 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1wgg n GLU 85 N -0.77 1.21 0.06 5.31 0.00 -1.26 -4.85 120.64 120.33 1wgg n GLU 85 Ca -0.12 0.38 -0.07 0.00 0.00 0.00 0.00 57.16 57.35 1wgg n GLU 85 Cb 0.67 -2.37 -0.05 0.00 0.00 0.00 0.00 31.44 29.69 1wgg n GLU 85 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1wgg h PRO 86 N 10.65 -0.25 0.00 5.31 0.13 -2.02 -3.47 132.00 142.35 1wgg h PRO 86 Ca -0.34 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1wgg h PRO 86 Cb 1.32 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1wgg h PRO 86 CO 1.00 0.02 0.00 0.45 -0.23 0.00 0.00 178.00 179.24 1wgg n SER 87 N -4.94 0.00 -2.94 1.44 2.88 -1.26 -4.65 113.62 104.15 1wgg n SER 87 Ca -0.05 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.36 1wgg n SER 87 Cb 0.19 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 1wgg n SER 87 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wgg n ALA 88 N 0.00 -2.91 0.03 -1.46 0.00 -1.26 -4.90 120.51 110.01 1wgg n ALA 88 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 53.44 54.50 1wgg n ALA 88 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.87 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 -0.30 0.00 -1.64 0.00 4.81 -1.26 -5.14 118.16 114.63 1wgg n LYS 89 Ca 0.09 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.19 1wgg n LYS 89 Cb 0.49 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.61 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 -1.56 2.74 0.11 3.15 -1.32 -1.26 -5.04 115.64 112.45 1wgg s THR 90 Ca 0.00 0.37 -0.25 0.00 -1.21 0.00 0.00 61.69 60.60 1wgg s THR 90 Cb 0.00 -2.93 0.08 0.00 -1.51 0.00 0.00 72.50 68.14 1wgg s THR 90 CO 0.00 -0.19 0.66 -0.94 -2.21 0.00 0.00 174.62 171.94 1wgg s SER 91 N -2.20 -0.55 -0.97 8.08 1.04 -1.26 -5.08 113.70 112.76 1wgg s SER 91 Ca 0.72 0.08 -0.31 0.00 0.48 0.00 0.00 55.95 56.92 1wgg s SER 91 Cb -0.26 0.56 -0.22 0.00 0.10 0.00 0.00 66.02 66.21 1wgg s SER 91 CO 0.42 -0.87 2.67 0.61 0.98 0.00 0.00 173.24 177.06 1wgg n GLY 92 N -0.20 -0.46 0.11 7.32 0.00 -1.26 -4.77 105.19 105.92 1wgg n GLY 92 Ca -0.16 1.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.91 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 12.07 -0.16 -1.92 1.61 0.13 -2.02 -3.49 132.00 138.22 1wgg h PRO 93 Ca -0.06 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.30 1wgg h PRO 93 Cb 1.31 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.34 1wgg h PRO 93 CO 1.37 0.29 0.64 -1.12 -0.23 0.00 0.00 178.00 178.96 1wgg s SER 94 N -5.59 -0.19 0.01 1.44 0.01 -1.26 -5.09 113.70 103.03 1wgg s SER 94 Ca -0.12 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 1wgg s SER 94 Cb -0.00 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1wgg s SER 94 CO 0.43 -0.53 -0.09 -0.24 0.41 0.00 0.00 173.24 173.22 1wgg n SER 95 N -0.32 1.21 0.00 2.44 2.88 -1.26 -5.25 113.62 113.32 1wgg n SER 95 Ca -0.06 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1wgg n SER 95 Cb 0.61 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42