#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgg n SER 2 N 0.00 0.00 -4.87 1.61 7.64 -1.26 -4.82 113.62 111.92 1wgg n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1wgg n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1wgg n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgg s SER 3 N 0.00 6.42 -0.09 6.43 1.04 -1.26 -5.09 113.70 121.15 1wgg s SER 3 Ca 0.00 1.27 -0.09 0.00 0.48 0.00 0.00 55.95 57.61 1wgg s SER 3 Cb 0.00 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.75 1wgg s SER 3 CO 0.00 -0.60 0.26 -0.83 0.98 0.00 0.00 173.24 173.05 1wgg s GLY 4 N -3.57 -0.19 0.15 7.32 0.00 -1.26 -5.02 107.32 104.75 1wgg s GLY 4 Ca 0.53 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.95 1wgg s GLY 4 CO 0.40 0.60 0.00 1.44 0.00 0.00 0.00 173.10 175.53 1wgg n SER 5 N 2.88 -1.34 -0.02 1.64 7.64 -1.26 -4.99 113.62 118.16 1wgg n SER 5 Ca -0.13 0.39 -0.06 0.00 1.01 0.00 0.00 58.87 60.08 1wgg n SER 5 Cb 0.58 1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 65.22 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 -0.06 -0.46 6.43 0.02 -1.98 -3.45 113.55 114.05 1wgg h SER 6 Ca 0.00 -0.32 -0.72 0.00 -0.84 0.00 0.00 61.79 59.92 1wgg h SER 6 Cb 0.00 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1wgg h SER 6 CO 0.00 0.58 0.85 0.61 -1.14 0.00 0.00 176.83 177.73 1wgg n GLY 7 N 1.47 0.03 3.89 -3.77 0.00 -1.26 -4.55 105.19 101.00 1wgg n GLY 7 Ca -0.04 0.92 -0.25 0.00 0.00 0.00 0.00 46.02 46.65 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 3.82 3.34 -0.25 1.61 2.02 0.29 -4.96 117.35 123.23 1wgg s TYR 8 Ca 0.97 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 57.71 1wgg s TYR 8 Cb -1.30 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 38.74 1wgg s TYR 8 CO 0.65 0.50 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.89 1wgg s SER 9 N -3.43 4.20 0.40 2.29 0.01 -1.26 -1.55 113.70 114.37 1wgg s SER 9 Ca 0.33 -1.20 0.04 0.00 1.31 0.00 0.00 55.95 56.44 1wgg s SER 9 Cb -0.10 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 1wgg s SER 9 CO 0.27 -0.15 0.04 0.68 0.41 0.00 0.00 173.24 174.49 1wgg s VAL 10 N 1.17 1.37 0.20 3.43 -7.23 -1.23 0.07 120.40 118.18 1wgg s VAL 10 Ca -0.05 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.21 1wgg s VAL 10 Cb -0.18 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1wgg s VAL 10 CO -0.06 0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.77 1wgg s THR 11 N -3.00 3.30 -0.04 5.32 2.01 -1.11 -2.43 115.64 119.69 1wgg s THR 11 Ca 0.28 -1.68 0.07 0.00 0.31 0.00 0.00 61.69 60.66 1wgg s THR 11 Cb 0.07 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1wgg s THR 11 CO 0.14 -0.16 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.97 1wgg s VAL 12 N -1.84 1.99 -0.21 3.82 1.01 0.04 0.19 120.40 125.40 1wgg s VAL 12 Ca 0.27 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1wgg s VAL 12 Cb -0.08 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1wgg s VAL 12 CO 0.17 0.56 -0.14 -0.75 0.00 0.00 0.00 175.10 174.93 1wgg s LYS 13 N -0.30 2.43 -0.40 2.72 2.20 0.15 -1.65 119.74 124.89 1wgg s LYS 13 Ca 0.01 -0.98 0.03 0.00 -0.36 0.00 0.00 55.97 54.66 1wgg s LYS 13 Cb -0.12 -2.60 0.11 0.00 -1.51 0.00 0.00 37.83 33.71 1wgg s LYS 13 CO 0.02 -0.39 0.15 -0.46 -0.36 0.00 0.00 175.35 174.31 1wgg s TRP 14 N 1.27 2.95 0.00 4.03 -0.00 -0.79 -1.44 118.94 124.96 1wgg s TRP 14 Ca -0.01 -2.74 0.00 0.00 -0.00 0.00 0.00 56.10 53.35 1wgg s TRP 14 Cb -0.16 -2.51 0.00 0.00 -0.00 0.00 0.00 33.47 30.79 1wgg s TRP 14 CO -0.09 -0.85 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 1wgg n GLY 15 N 3.92 2.31 0.31 5.86 0.00 -1.26 0.18 105.19 116.52 1wgg n GLY 15 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1wgg n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wgg h LYS 16 N 0.00 0.47 -7.02 1.61 3.64 -2.01 -3.42 116.57 109.84 1wgg h LYS 16 Ca 0.00 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.85 1wgg h LYS 16 Cb 0.00 -0.11 0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1wgg h LYS 16 CO 0.00 0.31 0.47 -1.21 -2.27 0.00 0.00 179.45 176.75 1wgg s GLU 17 N -5.44 3.67 -0.02 1.90 0.41 0.49 -5.05 118.70 114.66 1wgg s GLU 17 Ca -0.08 1.73 -0.01 0.00 -0.41 0.00 0.00 54.97 56.20 1wgg s GLU 17 Cb 0.18 -2.31 0.01 0.00 -1.78 0.00 0.00 34.13 30.23 1wgg s GLU 17 CO 0.73 -0.62 0.04 0.21 -0.49 0.00 0.00 175.26 175.13 1wgg s LYS 18 N -2.84 0.04 -0.16 1.61 2.20 -1.26 -1.89 119.74 117.43 1wgg s LYS 18 Ca 0.66 0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 56.32 1wgg s LYS 18 Cb -0.27 -0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.08 1wgg s LYS 18 CO 0.33 -0.03 0.05 -0.06 -0.36 0.00 0.00 175.35 175.28 1wgg s PHE 19 N 0.21 0.62 -0.19 4.03 0.08 -0.66 -4.90 117.98 117.17 1wgg s PHE 19 Ca -0.02 -0.51 -0.02 0.00 0.12 0.00 0.00 56.93 56.50 1wgg s PHE 19 Cb -0.02 -0.84 -0.00 0.00 -0.57 0.00 0.00 43.02 41.58 1wgg s PHE 19 CO -0.01 -0.52 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.29 1wgg s GLU 20 N 1.99 3.30 0.00 0.44 2.02 -1.26 -0.78 118.70 124.42 1wgg s GLU 20 Ca 0.01 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1wgg s GLU 20 Cb -0.16 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1wgg s GLU 20 CO -0.08 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1wgg n GLY 21 N 4.48 0.76 3.55 -1.39 0.00 -1.26 -4.71 105.19 106.62 1wgg n GLY 21 Ca -0.19 -0.55 -0.38 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 -1.53 5.04 0.03 1.61 1.01 -1.02 -5.04 120.40 120.50 1wgg s VAL 22 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1wgg s VAL 22 Cb 0.00 -3.40 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1wgg s VAL 22 CO 0.00 0.26 1.91 -1.61 0.00 0.00 0.00 175.10 175.66 1wgg s GLU 23 N 1.72 4.15 -0.03 2.72 2.02 -1.26 -3.51 118.70 124.51 1wgg s GLU 23 Ca 0.07 2.54 0.03 0.00 0.02 0.00 0.00 54.97 57.63 1wgg s GLU 23 Cb -0.16 -4.11 -0.00 0.00 0.10 0.00 0.00 34.13 29.96 1wgg s GLU 23 CO 0.09 -0.93 -0.12 -1.17 0.02 0.00 0.00 175.26 173.15 1wgg s LEU 24 N 4.30 1.87 0.02 1.80 2.96 -0.60 -4.84 118.68 124.20 1wgg s LEU 24 Ca 0.86 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1wgg s LEU 24 Cb -0.41 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 1wgg s LEU 24 CO 0.39 0.11 -0.13 0.21 -1.32 0.00 0.00 176.35 175.61 1wgg s ASN 25 N 0.04 1.59 -0.20 3.68 2.47 -1.26 0.11 114.94 121.37 1wgg s ASN 25 Ca -0.01 -0.36 0.06 0.00 0.42 0.00 0.00 52.86 52.96 1wgg s ASN 25 Cb -0.09 -0.13 -0.21 0.00 -1.45 0.00 0.00 41.25 39.37 1wgg s ASN 25 CO 0.01 0.08 0.04 0.35 -3.72 0.00 0.00 177.10 173.86 1wgg n THR 26 N 2.26 1.53 -0.56 -5.21 -2.24 -1.26 -4.20 114.28 104.59 1wgg n THR 26 Ca -0.16 -0.68 0.47 0.00 -2.27 0.00 0.00 64.05 61.40 1wgg n THR 26 Cb 0.55 -1.19 0.78 0.00 -2.10 0.00 0.00 70.33 68.37 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 0.01 0.00 -5.85 3.42 3.58 -1.96 -3.39 116.42 112.23 1wgg h ASP 27 Ca -0.52 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.37 1wgg h ASP 27 Cb 2.03 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 43.03 1wgg h ASP 27 CO -0.01 0.00 -0.26 -0.62 -2.88 0.00 0.00 179.24 175.47 1wgg n GLU 28 N -3.95 0.68 -1.53 0.28 -0.58 -1.26 -5.13 120.64 109.15 1wgg n GLU 28 Ca 0.38 -3.40 -0.29 0.00 -0.42 0.00 0.00 57.16 53.42 1wgg n GLU 28 Cb 1.77 0.34 0.16 0.00 -0.57 0.00 0.00 31.44 33.14 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 0.68 0.39 3.49 0.04 -1.26 -4.76 135.00 129.32 1wgg s PRO 29 Ca 0.32 0.11 0.21 0.00 0.04 0.00 0.00 61.00 61.68 1wgg s PRO 29 Cb -0.03 -1.80 0.59 0.00 0.04 0.00 0.00 34.50 33.30 1wgg s PRO 29 CO 0.20 -2.48 1.68 -1.00 0.04 0.00 0.00 177.00 175.45 1wgg h PRO 30 N -1.70 0.00 -0.90 0.56 0.13 -1.83 -3.22 132.00 125.05 1wgg h PRO 30 Ca -0.49 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.85 1wgg h PRO 30 Cb 1.31 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 1wgg h PRO 30 CO 0.53 0.30 0.43 0.52 -0.23 0.00 0.00 178.00 179.55 1wgg h MET 31 N 0.00 0.46 0.73 0.86 2.86 -1.83 0.15 114.93 118.16 1wgg h MET 31 Ca -0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1wgg h MET 31 Cb 0.98 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1wgg h MET 31 CO 0.04 0.31 -0.37 0.28 1.06 0.00 0.00 176.91 178.22 1wgg h VAL 32 N 0.48 0.25 -0.74 -2.22 2.07 -1.92 1.03 116.25 115.20 1wgg h VAL 32 Ca 0.55 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.25 1wgg h VAL 32 Cb 0.98 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1wgg h VAL 32 CO -0.48 0.00 0.51 0.15 0.02 0.00 0.00 177.57 177.77 1wgg h PHE 33 N -1.01 0.23 0.00 1.57 3.57 -1.35 0.88 116.94 120.84 1wgg h PHE 33 Ca -0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1wgg h PHE 33 Cb 0.78 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.45 1wgg h PHE 33 CO -0.04 0.08 -0.47 0.87 -2.23 0.00 0.00 178.31 176.52 1wgg h LYS 34 N 0.19 0.00 -0.07 1.11 1.57 -0.09 -3.16 116.57 116.11 1wgg h LYS 34 Ca 0.36 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1wgg h LYS 34 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1wgg h LYS 34 CO -0.07 0.00 -0.44 0.00 -0.57 0.00 0.00 179.45 178.37 1wgg h ALA 35 N 2.10 1.13 0.07 3.86 0.00 0.85 -2.56 119.26 124.72 1wgg h ALA 35 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1wgg h ALA 35 Cb 0.95 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wgg h ALA 35 CO 0.00 0.60 -0.74 0.37 0.00 0.00 0.00 179.25 179.48 1wgg h GLN 36 N 0.13 0.38 -0.67 0.00 4.15 -1.41 -3.21 115.11 114.48 1wgg h GLN 36 Ca 0.01 -0.50 0.16 0.00 0.77 0.00 0.00 58.65 59.08 1wgg h GLN 36 Cb 0.84 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1wgg h GLN 36 CO 0.07 1.18 0.46 -0.07 -1.93 0.00 0.00 178.83 178.54 1wgg h LEU 37 N -0.19 0.21 -1.61 -2.39 3.38 -1.50 0.31 115.31 113.52 1wgg h LEU 37 Ca -0.11 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1wgg h LEU 37 Cb 1.50 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1wgg h LEU 37 CO 0.14 0.11 0.36 0.15 0.09 0.00 0.00 178.44 179.29 1wgg h PHE 38 N 0.22 0.48 0.00 1.13 3.57 -1.45 0.26 116.94 121.14 1wgg h PHE 38 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1wgg h PHE 38 Cb 0.96 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1wgg h PHE 38 CO -0.00 0.25 -0.66 0.00 -2.23 0.00 0.00 178.31 175.68 1wgg n ALA 39 N -2.50 3.57 -0.06 2.41 0.00 0.99 -1.46 120.51 123.45 1wgg n ALA 39 Ca 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 1wgg n ALA 39 Cb 0.26 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.00 0.00 0.00 3.38 0.57 -3.43 115.31 115.82 1wgg h LEU 40 Ca 0.00 -0.88 -0.08 0.00 0.09 0.00 0.00 57.88 57.01 1wgg h LEU 40 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wgg h LEU 40 CO 0.00 0.91 -0.96 0.35 0.09 0.00 0.00 178.44 178.84 1wgg n THR 41 N -4.65 1.25 0.00 0.22 -2.24 0.20 -5.05 114.28 104.01 1wgg n THR 41 Ca -0.09 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1wgg n THR 41 Cb 0.42 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 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 2.22 0.61 3.76 3.38 0.00 -0.54 -5.04 105.19 109.58 1wgg n GLY 42 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.14 3.67 0.79 1.61 1.01 -1.26 -4.77 120.40 121.32 1wgg s VAL 43 Ca 0.00 1.62 -0.13 0.00 0.00 0.00 0.00 61.98 63.48 1wgg s VAL 43 Cb 0.00 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1wgg s VAL 43 CO 0.00 0.34 1.17 -1.10 0.00 0.00 0.00 175.10 175.51 1wgg s GLN 44 N -1.54 1.83 0.00 2.72 -1.52 -1.26 -3.82 119.66 116.07 1wgg s GLN 44 Ca 0.45 1.60 0.22 0.00 -1.95 0.00 0.00 55.36 55.69 1wgg s GLN 44 Cb -0.29 -1.81 1.32 0.00 -0.22 0.00 0.00 33.01 32.01 1wgg s GLN 44 CO 0.37 -2.04 1.72 -0.35 -0.25 0.00 0.00 175.29 174.73 1wgg n PRO 45 N -3.29 0.75 -0.11 2.91 -0.04 -1.26 0.05 135.00 134.01 1wgg n PRO 45 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1wgg n PRO 45 Cb 0.51 -1.46 -0.13 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 -0.96 1.50 -0.02 0.55 0.00 -1.26 -4.50 120.51 115.82 1wgg n ALA 46 Ca 0.17 -1.16 -0.12 0.00 0.00 0.00 0.00 53.44 52.33 1wgg n ALA 46 Cb 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.94 0.67 -1.53 0.00 1.74 -1.05 -4.83 116.66 108.72 1wgg n ARG 47 Ca -0.37 0.27 -0.38 0.00 -0.77 0.00 0.00 57.85 56.60 1wgg n ARG 47 Cb 1.05 -1.75 -0.07 0.00 -1.02 0.00 0.00 32.46 30.66 1wgg n ARG 47 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wgg n GLN 48 N -3.15 0.70 -2.30 5.56 6.02 0.11 -4.70 117.38 119.61 1wgg n GLN 48 Ca -0.22 0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.38 1wgg n GLN 48 Cb 1.06 -2.76 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 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 8.45 2.94 -0.56 -1.09 2.20 0.13 -4.86 119.74 126.94 1wgg s LYS 49 Ca 1.11 0.06 -0.19 0.00 -0.36 0.00 0.00 55.97 56.60 1wgg s LYS 49 Cb -0.56 -4.40 0.10 0.00 -1.51 0.00 0.00 37.83 31.46 1wgg s LYS 49 CO 0.35 -2.48 0.66 0.08 -0.36 0.00 0.00 175.35 173.60 1wgg s VAL 50 N 7.37 4.88 0.89 4.02 1.01 -1.26 -1.71 120.40 135.60 1wgg s VAL 50 Ca 0.51 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1wgg s VAL 50 Cb -0.09 -4.42 0.13 0.00 0.00 0.00 0.00 36.38 31.99 1wgg s VAL 50 CO 0.15 -1.01 1.16 -0.04 0.00 0.00 0.00 175.10 175.36 1wgg s MET 51 N 2.53 1.33 0.07 2.72 -1.94 -0.64 -0.96 119.30 122.42 1wgg s MET 51 Ca 0.11 0.17 0.01 0.00 -1.71 0.00 0.00 55.69 54.28 1wgg s MET 51 Cb -0.24 -1.87 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 1wgg s MET 51 CO 0.07 -2.04 -0.06 0.08 -0.01 0.00 0.00 175.02 173.06 1wgg s VAL 52 N -3.41 0.56 0.21 -6.03 1.01 0.53 -4.24 120.40 109.03 1wgg s VAL 52 Ca 0.64 -1.60 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1wgg s VAL 52 Cb -0.13 -1.26 0.25 0.00 0.00 0.00 0.00 36.38 35.24 1wgg s VAL 52 CO 0.52 -0.72 0.99 0.29 0.00 0.00 0.00 175.10 176.18 1wgg n LYS 53 N 0.53 -0.04 -2.70 2.72 4.76 -1.26 -2.10 118.16 120.06 1wgg n LYS 53 Ca -0.16 0.91 -0.05 0.00 -2.87 0.00 0.00 58.31 56.14 1wgg n LYS 53 Cb 0.59 -1.53 0.10 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.66 0.69 0.72 0.00 -1.26 -5.13 105.19 100.62 1wgg n GLY 54 Ca 0.19 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.85 0.54 3.25 -0.02 0.00 -0.89 -5.17 105.19 102.04 1wgg n GLY 55 Ca -0.05 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.12 1.73 -0.21 2.61 2.01 -1.26 0.20 115.64 118.61 1wgg s THR 56 Ca 0.05 -1.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 1wgg s THR 56 Cb -0.00 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1wgg s THR 56 CO -0.00 0.42 1.41 -0.22 -0.69 0.00 0.00 174.62 175.53 1wgg s LEU 57 N -0.71 4.03 0.00 4.42 0.20 -0.13 -4.90 118.68 121.59 1wgg s LEU 57 Ca 0.08 1.59 -0.09 0.00 0.69 0.00 0.00 54.13 56.40 1wgg s LEU 57 Cb -0.09 -3.54 0.14 0.00 -0.43 0.00 0.00 46.19 42.28 1wgg s LEU 57 CO -0.00 -1.00 0.35 0.29 -0.29 0.00 0.00 176.35 175.70 1wgg n LYS 58 N 7.15 -2.90 0.03 1.98 5.02 -1.26 -4.80 118.16 123.38 1wgg n LYS 58 Ca 0.16 -0.59 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1wgg n LYS 58 Cb 0.45 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 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 -4.04 0.26 -0.12 4.39 8.00 -1.26 -4.64 116.55 119.14 1wgg n ASP 59 Ca 0.05 0.08 -0.06 0.00 0.71 0.00 0.00 54.79 55.58 1wgg n ASP 59 Cb 0.23 -0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.19 -4.40 -2.24 3.32 -2.00 -3.31 116.42 107.98 1wgg h ASP 60 Ca 0.00 0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.23 1wgg h ASP 60 Cb 0.49 0.01 -0.18 0.00 0.22 0.00 0.00 39.33 39.87 1wgg h ASP 60 CO 0.00 0.14 0.60 -1.81 -1.72 0.00 0.00 179.24 176.45 1wgg s ASP 61 N -5.39 -0.30 0.04 6.45 1.01 -1.26 -4.74 116.67 112.48 1wgg s ASP 61 Ca -0.13 0.08 -0.31 0.00 0.71 0.00 0.00 52.55 52.90 1wgg s ASP 61 Cb 0.12 0.30 -0.18 0.00 1.01 0.00 0.00 42.92 44.18 1wgg s ASP 61 CO 0.72 -0.45 1.33 -0.50 0.21 0.00 0.00 175.17 176.48 1wgg h TRP 62 N 2.11 -0.98 0.00 4.23 4.06 -1.89 -3.41 115.95 120.08 1wgg h TRP 62 Ca -0.18 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.75 1wgg h TRP 62 Cb 1.21 0.32 0.00 0.00 -1.00 0.00 0.00 29.16 29.69 1wgg h TRP 62 CO 0.27 -0.60 0.00 0.41 -3.56 0.00 0.00 178.44 174.96 1wgg n GLY 63 N -1.08 1.88 2.12 1.49 0.00 -1.26 -4.21 105.19 104.13 1wgg n GLY 63 Ca -0.14 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 1wgg n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wgg n ASN 64 N 3.66 -1.28 -4.76 1.61 5.15 -1.26 -5.13 115.26 113.25 1wgg n ASN 64 Ca 0.00 -2.10 -0.37 0.00 -0.60 0.00 0.00 54.58 51.51 1wgg n ASN 64 Cb 0.00 0.55 0.02 0.00 -0.53 0.00 0.00 39.78 39.81 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wgg s ILE 65 N 0.09 2.65 -1.13 -1.44 -1.09 -1.26 -4.93 121.20 114.08 1wgg s ILE 65 Ca 0.06 0.47 -0.06 0.00 -2.23 0.00 0.00 60.65 58.90 1wgg s ILE 65 Cb 0.30 -3.23 0.27 0.00 -1.58 0.00 0.00 42.46 38.22 1wgg s ILE 65 CO -0.09 -0.02 1.55 0.29 -1.23 0.00 0.00 174.94 175.44 1wgg n LYS 66 N -0.87 4.20 -2.05 2.79 4.01 -1.26 -5.02 118.16 119.96 1wgg n LYS 66 Ca 0.09 -4.30 -0.33 0.00 -0.51 0.00 0.00 58.31 53.27 1wgg n LYS 66 Cb 0.47 -2.62 0.01 0.00 -0.51 0.00 0.00 35.03 32.38 1wgg n LYS 66 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1wgg s MET 67 N -1.86 3.27 0.04 1.97 -1.94 -1.26 -5.06 119.30 114.46 1wgg s MET 67 Ca 0.33 1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 55.40 1wgg s MET 67 Cb 0.05 -2.02 0.04 0.00 2.01 0.00 0.00 34.83 34.90 1wgg s MET 67 CO 0.07 -0.86 0.41 0.21 -0.01 0.00 0.00 175.02 174.84 1wgg s LYS 68 N -3.97 0.92 -0.26 2.03 2.20 -1.26 -5.13 119.74 114.27 1wgg s LYS 68 Ca 0.65 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.72 1wgg s LYS 68 Cb -0.17 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.53 1wgg s LYS 68 CO 0.36 -0.32 0.45 0.54 -0.36 0.00 0.00 175.35 176.03 1wgg s ASN 69 N -2.01 6.37 0.00 1.43 2.20 -1.26 -4.02 114.94 117.65 1wgg s ASN 69 Ca -0.05 0.44 0.00 0.00 -0.94 0.00 0.00 52.86 52.30 1wgg s ASN 69 Cb -0.01 -2.25 0.00 0.00 -2.00 0.00 0.00 41.25 36.99 1wgg s ASN 69 CO -0.02 -0.23 0.00 0.61 -2.94 0.00 0.00 177.10 174.51 1wgg n GLY 70 N 4.46 2.45 1.72 0.45 0.00 0.11 -4.92 105.19 109.46 1wgg n GLY 70 Ca -0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.22 -4.54 1.61 0.00 -1.26 -4.70 117.12 107.02 1wgg n MET 71 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 57.70 57.01 1wgg n MET 71 Cb 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 33.22 32.20 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 -1.42 0.99 -0.16 3.17 2.01 -1.26 -2.75 115.64 116.21 1wgg s THR 72 Ca 0.22 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.67 1wgg s THR 72 Cb -0.04 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 1wgg s THR 72 CO 0.18 0.29 0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 1wgg s VAL 73 N 0.02 4.35 -0.20 3.82 1.01 0.50 -4.83 120.40 125.07 1wgg s VAL 73 Ca -0.01 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1wgg s VAL 73 Cb -0.08 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1wgg s VAL 73 CO 0.01 0.48 0.39 -0.22 0.00 0.00 0.00 175.10 175.76 1wgg s LEU 74 N 0.29 4.16 -0.13 3.92 1.98 -1.26 -0.68 118.68 126.97 1wgg s LEU 74 Ca 0.00 0.51 -0.00 0.00 -2.89 0.00 0.00 54.13 51.75 1wgg s LEU 74 Cb -0.13 -2.50 -0.02 0.00 0.66 0.00 0.00 46.19 44.20 1wgg s LEU 74 CO 0.02 -0.07 -0.12 -0.32 -1.89 0.00 0.00 176.35 173.97 1wgg s MET 75 N 1.26 3.36 -0.02 1.98 -2.45 -0.52 -1.61 119.30 121.29 1wgg s MET 75 Ca 0.19 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.97 1wgg s MET 75 Cb -0.15 -2.65 0.02 0.00 1.25 0.00 0.00 34.83 33.30 1wgg s MET 75 CO 0.08 0.26 -0.00 -1.64 1.05 0.00 0.00 175.02 174.76 1wgg s MET 76 N 0.25 0.28 0.00 4.11 -1.94 -0.69 -4.53 119.30 116.78 1wgg s MET 76 Ca -0.08 0.04 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1wgg s MET 76 Cb -0.15 -0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.26 1wgg s MET 76 CO 0.05 -0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 1wgg n GLY 77 N 3.93 2.37 3.03 -0.03 0.00 -1.26 0.20 105.19 113.43 1wgg n GLY 77 Ca -0.24 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 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 1.74 -0.82 1.61 0.01 -1.26 -4.98 113.70 110.01 1wgg s SER 78 Ca 0.00 -0.29 -0.16 0.00 1.31 0.00 0.00 55.95 56.81 1wgg s SER 78 Cb 0.00 -0.74 0.18 0.00 0.21 0.00 0.00 66.02 65.67 1wgg s SER 78 CO 0.00 0.05 0.85 0.00 0.41 0.00 0.00 173.24 174.55 1wgg s ALA 79 N 0.54 3.79 -0.74 1.44 0.00 -1.26 -4.90 121.76 120.63 1wgg s ALA 79 Ca -0.12 -3.01 -0.26 0.00 0.00 0.00 0.00 51.96 48.57 1wgg s ALA 79 Cb -0.15 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.26 1wgg s ALA 79 CO 0.03 -2.47 2.07 -0.51 0.00 0.00 0.00 175.76 174.88 1wgg s ASP 80 N 2.81 4.84 0.14 0.00 1.01 -1.26 -4.85 116.67 119.35 1wgg s ASP 80 Ca 0.21 -0.01 -0.16 0.00 0.71 0.00 0.00 52.55 53.29 1wgg s ASP 80 Cb -0.11 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.31 1wgg s ASP 80 CO -0.07 -2.88 0.42 0.00 0.21 0.00 0.00 175.17 172.86 1wgg s ALA 81 N 10.98 -0.94 0.78 5.23 0.00 -1.26 -5.15 121.76 131.40 1wgg s ALA 81 Ca 0.77 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 52.52 1wgg s ALA 81 Cb -0.11 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.78 1wgg s ALA 81 CO 0.11 -0.67 1.03 1.28 0.00 0.00 0.00 175.76 177.51 1wgg n LEU 82 N -0.25 3.65 -4.56 0.00 4.77 -1.26 -4.84 117.00 114.52 1wgg n LEU 82 Ca -0.15 0.61 -0.37 0.00 -0.03 0.00 0.00 56.01 56.07 1wgg n LEU 82 Cb 0.64 -1.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1wgg n LEU 82 CO 0.17 -2.00 1.40 -2.16 -1.33 0.00 0.00 177.39 173.47 1wgg s PRO 83 N -3.72 3.00 0.07 3.23 0.04 -1.26 -4.97 135.00 131.40 1wgg s PRO 83 Ca 0.72 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.48 1wgg s PRO 83 Cb -0.31 -4.77 -0.04 0.00 0.04 0.00 0.00 34.50 29.42 1wgg s PRO 83 CO 0.52 -2.61 0.17 -1.83 0.04 0.00 0.00 177.00 173.28 1wgg s GLU 84 N 6.16 3.25 -0.16 4.56 -1.05 -1.26 -5.03 118.70 125.18 1wgg s GLU 84 Ca 0.54 -0.53 -0.36 0.00 -0.15 0.00 0.00 54.97 54.47 1wgg s GLU 84 Cb -0.07 -2.93 -0.13 0.00 -0.44 0.00 0.00 34.13 30.56 1wgg s GLU 84 CO 0.06 0.59 1.84 0.39 0.95 0.00 0.00 175.26 179.09 1wgg n GLU 85 N 0.33 1.85 -1.54 -4.83 4.71 -1.26 -4.94 120.64 114.95 1wgg n GLU 85 Ca -0.06 0.68 -0.29 0.00 -0.01 0.00 0.00 57.16 57.48 1wgg n GLU 85 Cb 0.51 -2.47 0.13 0.00 -1.01 0.00 0.00 31.44 28.60 1wgg n GLU 85 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wgg s PRO 86 N 3.96 1.24 0.37 3.49 0.04 -1.26 -5.08 135.00 137.76 1wgg s PRO 86 Ca 0.95 0.32 0.07 0.00 0.04 0.00 0.00 61.00 62.38 1wgg s PRO 86 Cb -0.82 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.87 1wgg s PRO 86 CO 0.56 -2.14 0.49 -1.12 0.04 0.00 0.00 177.00 174.84 1wgg s SER 87 N -4.03 5.74 1.24 6.66 0.01 -1.26 -5.11 113.70 116.95 1wgg s SER 87 Ca 0.63 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 57.43 1wgg s SER 87 Cb -0.15 -0.94 0.20 0.00 0.21 0.00 0.00 66.02 65.34 1wgg s SER 87 CO 0.53 -0.57 0.50 0.00 0.41 0.00 0.00 173.24 174.11 1wgg n ALA 88 N -1.70 -2.65 -3.60 1.44 0.00 -1.26 -5.05 120.51 107.70 1wgg n ALA 88 Ca 0.03 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.45 1wgg n ALA 88 Cb 0.59 -0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1wgg n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1wgg s LYS 89 N -4.18 0.41 -0.06 0.00 2.36 -1.26 -5.14 119.74 111.87 1wgg s LYS 89 Ca 0.37 0.01 0.04 0.00 -2.55 0.00 0.00 55.97 53.84 1wgg s LYS 89 Cb -0.06 -0.53 -0.02 0.00 -1.05 0.00 0.00 37.83 36.17 1wgg s LYS 89 CO 0.30 -0.10 -0.17 0.95 1.55 0.00 0.00 175.35 177.88 1wgg s THR 90 N 0.86 2.77 -0.02 3.43 -4.23 -1.26 -5.11 115.64 112.07 1wgg s THR 90 Ca -0.09 -0.82 -0.29 0.00 -1.18 0.00 0.00 61.69 59.31 1wgg s THR 90 Cb -0.13 -2.07 0.09 0.00 1.34 0.00 0.00 72.50 71.73 1wgg s THR 90 CO -0.01 0.58 0.78 -0.94 -0.54 0.00 0.00 174.62 174.49 1wgg s SER 91 N -0.46 -0.51 1.02 3.99 1.04 -1.26 -4.50 113.70 113.01 1wgg s SER 91 Ca 0.06 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.79 1wgg s SER 91 Cb -0.12 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1wgg s SER 91 CO 0.02 -0.62 0.30 0.61 0.98 0.00 0.00 173.24 174.52 1wgg n GLY 92 N 0.36 -1.59 0.10 7.32 0.00 -1.26 -5.02 105.19 105.10 1wgg n GLY 92 Ca -0.14 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1wgg n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgg h PRO 93 N 0.00 -0.10 0.00 1.61 0.13 -2.02 -3.49 132.00 128.13 1wgg h PRO 93 Ca -0.10 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1wgg h PRO 93 Cb 0.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1wgg h PRO 93 CO 0.07 0.46 0.00 0.45 -0.23 0.00 0.00 178.00 178.75 1wgg n SER 94 N -4.81 -1.02 -2.40 1.44 2.88 -1.26 -5.13 113.62 103.31 1wgg n SER 94 Ca -0.08 0.54 -0.01 0.00 -1.33 0.00 0.00 58.87 57.99 1wgg n SER 94 Cb 0.30 1.28 -0.01 0.00 -0.75 0.00 0.00 64.21 65.03 1wgg n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgg n SER 95 N -3.00 -7.30 0.00 -3.46 7.64 -1.26 -5.23 113.62 101.01 1wgg n SER 95 Ca 0.00 1.73 0.00 0.00 1.01 0.00 0.00 58.87 61.61 1wgg n SER 95 Cb 0.00 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.19 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64