#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 6.00 -0.09 1.61 0.01 -1.26 -5.07 113.70 114.90 1wgg s SER 2 Ca 0.00 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1wgg s SER 2 Cb 0.00 -2.11 -0.00 0.00 0.21 0.00 0.00 66.02 64.12 1wgg s SER 2 CO 0.00 -0.03 -0.23 -0.55 0.41 0.00 0.00 173.24 172.84 1wgg s SER 3 N 1.65 2.95 0.00 2.44 0.15 -1.26 -4.98 113.70 114.65 1wgg s SER 3 Ca 0.07 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1wgg s SER 3 Cb -0.16 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.92 1wgg s SER 3 CO 0.10 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1wgg n GLY 4 N 3.43 0.99 0.40 9.45 0.00 -1.26 -5.09 105.19 113.10 1wgg n GLY 4 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.79 -3.43 1.61 7.64 -1.26 -5.03 113.62 112.36 1wgg n SER 5 Ca 0.00 0.57 -0.26 0.00 1.01 0.00 0.00 58.87 60.19 1wgg n SER 5 Cb 0.00 1.13 -0.09 0.00 -1.01 0.00 0.00 64.21 64.24 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 -3.07 1.52 -3.68 6.43 3.41 -1.26 -5.06 113.62 111.91 1wgg n SER 6 Ca 0.00 -2.92 -0.16 0.00 -0.26 0.00 0.00 58.87 55.53 1wgg n SER 6 Cb 0.00 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.15 1wgg n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wgg s GLY 7 N -1.31 0.02 0.12 5.00 0.00 -1.26 -3.66 107.32 106.23 1wgg s GLY 7 Ca 0.34 0.62 0.07 0.00 0.00 0.00 0.00 44.72 45.75 1wgg s GLY 7 CO -0.11 1.56 -0.05 -0.19 0.00 0.00 0.00 173.10 174.31 1wgg s TYR 8 N 2.07 2.83 -0.23 1.90 1.51 0.20 -4.98 117.35 120.65 1wgg s TYR 8 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1wgg s TYR 8 Cb -0.12 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1wgg s TYR 8 CO -0.06 0.47 -0.11 -1.12 -1.11 0.00 0.00 175.55 173.61 1wgg s SER 9 N -2.45 4.01 0.46 2.29 0.01 -1.26 -1.51 113.70 115.24 1wgg s SER 9 Ca 0.24 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.58 1wgg s SER 9 Cb -0.11 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1wgg s SER 9 CO 0.16 -0.11 0.04 0.68 0.41 0.00 0.00 173.24 174.42 1wgg s VAL 10 N 1.26 1.16 -0.10 3.43 -7.23 -1.23 0.36 120.40 118.05 1wgg s VAL 10 Ca -0.01 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1wgg s VAL 10 Cb -0.16 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 1wgg s VAL 10 CO -0.07 0.00 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.59 1wgg s THR 11 N -2.96 2.05 -0.11 5.32 2.01 -1.06 -2.56 115.64 118.32 1wgg s THR 11 Ca 0.17 -1.02 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 1wgg s THR 11 Cb 0.04 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.73 1wgg s THR 11 CO 0.09 0.56 0.40 -0.69 -0.69 0.00 0.00 174.62 174.29 1wgg s VAL 12 N 0.31 5.20 -0.27 3.82 1.01 -0.45 0.20 120.40 130.23 1wgg s VAL 12 Ca -0.18 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1wgg s VAL 12 Cb -0.18 -3.73 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1wgg s VAL 12 CO 0.09 0.39 -0.09 -0.54 0.00 0.00 0.00 175.10 174.95 1wgg s LYS 13 N 0.26 2.34 -0.42 2.72 1.02 0.35 -1.67 119.74 124.35 1wgg s LYS 13 Ca 0.22 -1.29 0.03 0.00 0.02 0.00 0.00 55.97 54.96 1wgg s LYS 13 Cb -0.15 -2.95 0.12 0.00 -0.52 0.00 0.00 37.83 34.33 1wgg s LYS 13 CO 0.09 -0.56 0.16 -0.46 -0.92 0.00 0.00 175.35 173.65 1wgg s TRP 14 N 1.16 3.21 0.00 3.18 -0.00 -0.82 -1.47 118.94 124.20 1wgg s TRP 14 Ca -0.07 -2.93 0.00 0.00 -0.00 0.00 0.00 56.10 53.10 1wgg s TRP 14 Cb -0.19 -2.70 0.00 0.00 -0.00 0.00 0.00 33.47 30.58 1wgg s TRP 14 CO -0.04 -0.84 0.00 0.41 -0.00 0.00 0.00 176.95 176.47 1wgg n GLY 15 N 3.75 1.65 0.38 5.86 0.00 -1.26 0.17 105.19 115.73 1wgg n GLY 15 Ca 0.04 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.15 1wgg n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgg h LYS 16 N 0.00 0.61 -6.98 1.61 1.57 -2.01 -3.40 116.57 107.96 1wgg h LYS 16 Ca 0.00 -0.04 -0.51 0.00 -1.87 0.00 0.00 60.65 58.23 1wgg h LYS 16 Cb 0.00 -0.14 0.07 0.00 0.08 0.00 0.00 32.23 32.24 1wgg h LYS 16 CO 0.00 0.40 0.52 -1.21 -0.57 0.00 0.00 179.45 178.59 1wgg s GLU 17 N -5.67 3.79 -0.03 3.15 0.41 0.44 -5.04 118.70 115.75 1wgg s GLU 17 Ca -0.10 1.89 -0.03 0.00 -0.41 0.00 0.00 54.97 56.33 1wgg s GLU 17 Cb 0.24 -2.51 0.01 0.00 -1.78 0.00 0.00 34.13 30.09 1wgg s GLU 17 CO 0.79 -0.56 0.07 0.21 -0.49 0.00 0.00 175.26 175.29 1wgg s LYS 18 N -2.56 0.08 -0.14 1.61 2.20 -1.26 -1.94 119.74 117.74 1wgg s LYS 18 Ca 0.62 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.30 1wgg s LYS 18 Cb -0.32 0.04 0.05 0.00 -1.51 0.00 0.00 37.83 36.09 1wgg s LYS 18 CO 0.39 -0.01 0.06 -0.06 -0.36 0.00 0.00 175.35 175.37 1wgg s PHE 19 N 0.05 0.45 -0.19 4.03 0.08 -0.67 -5.00 117.98 116.73 1wgg s PHE 19 Ca -0.00 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 1wgg s PHE 19 Cb -0.01 -0.75 -0.00 0.00 -0.57 0.00 0.00 43.02 41.69 1wgg s PHE 19 CO 0.00 -0.45 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.36 1wgg s GLU 20 N 2.05 3.28 0.00 0.44 2.02 -1.26 -1.34 118.70 123.89 1wgg s GLU 20 Ca 0.02 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1wgg s GLU 20 Cb -0.15 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1wgg s GLU 20 CO -0.07 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1wgg n GLY 21 N 4.47 0.62 3.85 -1.39 0.00 -1.26 -5.06 105.19 106.42 1wgg n GLY 21 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.82 4.95 -0.20 1.61 1.01 -1.06 -5.03 120.40 120.86 1wgg s VAL 22 Ca 0.00 0.71 -0.22 0.00 0.00 0.00 0.00 61.98 62.48 1wgg s VAL 22 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1wgg s VAL 22 CO 0.00 0.31 0.67 -1.61 0.00 0.00 0.00 175.10 174.48 1wgg s GLU 23 N -1.80 4.21 -0.02 2.72 0.41 -1.26 -3.50 118.70 119.46 1wgg s GLU 23 Ca 0.34 0.69 0.03 0.00 -0.41 0.00 0.00 54.97 55.62 1wgg s GLU 23 Cb -0.15 -3.59 -0.00 0.00 -1.78 0.00 0.00 34.13 28.61 1wgg s GLU 23 CO 0.18 -0.29 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.40 1wgg s LEU 24 N 2.06 1.89 -0.00 1.80 2.96 -0.57 -4.88 118.68 121.94 1wgg s LEU 24 Ca 0.30 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1wgg s LEU 24 Cb -0.16 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 1wgg s LEU 24 CO 0.10 0.09 -0.13 0.20 -1.32 0.00 0.00 176.35 175.29 1wgg s ASN 25 N 0.01 1.57 -0.11 3.68 -0.87 -1.26 0.63 114.94 118.59 1wgg s ASN 25 Ca -0.00 -0.27 0.20 0.00 -1.57 0.00 0.00 52.86 51.21 1wgg s ASN 25 Cb -0.07 -0.16 -0.28 0.00 -0.02 0.00 0.00 41.25 40.72 1wgg s ASN 25 CO 0.00 0.14 0.29 0.35 -2.57 0.00 0.00 177.10 175.31 1wgg n THR 26 N 2.62 0.76 0.33 1.60 -2.24 -1.24 -4.15 114.28 111.96 1wgg n THR 26 Ca -0.15 -0.69 0.17 0.00 -2.27 0.00 0.00 64.05 61.11 1wgg n THR 26 Cb 0.55 -0.27 0.90 0.00 -2.10 0.00 0.00 70.33 69.41 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 -5.36 3.42 3.58 -1.96 -3.41 116.42 112.68 1wgg h ASP 27 Ca -0.29 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.56 1wgg h ASP 27 Cb 1.66 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.63 1wgg h ASP 27 CO 0.02 0.00 -0.37 -0.62 -2.88 0.00 0.00 179.24 175.39 1wgg n GLU 28 N -2.88 0.75 -1.54 0.28 -0.58 -1.26 -5.14 120.64 110.27 1wgg n GLU 28 Ca -0.02 -3.47 -0.29 0.00 -0.42 0.00 0.00 57.16 52.96 1wgg n GLU 28 Cb 0.29 0.67 0.13 0.00 -0.57 0.00 0.00 31.44 31.95 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 -3.98 1.31 0.13 3.49 0.04 -1.26 -4.76 135.00 129.97 1wgg s PRO 29 Ca 0.15 0.36 0.24 0.00 0.04 0.00 0.00 61.00 61.78 1wgg s PRO 29 Cb -0.01 -1.85 0.91 0.00 0.04 0.00 0.00 34.50 33.59 1wgg s PRO 29 CO 0.09 -2.09 1.73 -0.35 0.04 0.00 0.00 177.00 176.42 1wgg n PRO 30 N -3.71 0.13 0.01 0.56 -0.04 -1.26 -3.02 135.00 127.67 1wgg n PRO 30 Ca 0.07 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.77 1wgg n PRO 30 Cb 0.59 -1.69 0.34 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.51 0.69 0.54 2.86 -1.82 -1.81 114.93 115.91 1wgg h MET 31 Ca 0.00 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1wgg h MET 31 Cb 0.47 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.05 1wgg h MET 31 CO 0.00 0.49 -0.33 0.28 1.06 0.00 0.00 176.91 178.41 1wgg h VAL 32 N 0.50 0.00 -1.03 -2.22 2.07 -1.91 0.38 116.25 114.05 1wgg h VAL 32 Ca 0.12 -0.27 0.29 0.00 0.82 0.00 0.00 66.70 67.66 1wgg h VAL 32 Cb 0.22 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 1wgg h VAL 32 CO -0.00 0.00 0.73 0.15 0.02 0.00 0.00 177.57 178.47 1wgg h PHE 33 N -1.19 0.10 0.00 1.57 3.57 -1.69 1.49 116.94 120.78 1wgg h PHE 33 Ca -0.09 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.30 1wgg h PHE 33 Cb 0.71 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1wgg h PHE 33 CO 0.01 0.01 -0.78 0.87 -2.23 0.00 0.00 178.31 176.20 1wgg h LYS 34 N 0.06 0.00 -0.30 1.11 1.57 -1.12 -3.05 116.57 114.84 1wgg h LYS 34 Ca 0.50 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.16 1wgg h LYS 34 Cb 1.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 1wgg h LYS 34 CO -0.05 0.36 -0.31 0.00 -0.57 0.00 0.00 179.45 178.89 1wgg h ALA 35 N 1.55 0.91 -0.01 3.86 0.00 0.64 -3.02 119.26 123.19 1wgg h ALA 35 Ca -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1wgg h ALA 35 Cb 1.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wgg h ALA 35 CO 0.05 0.62 -0.02 0.37 0.00 0.00 0.00 179.25 180.27 1wgg h GLN 36 N 0.54 0.03 -0.65 0.00 4.15 -1.22 -2.88 115.11 115.09 1wgg h GLN 36 Ca 0.06 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.65 1wgg h GLN 36 Cb 0.79 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1wgg h GLN 36 CO 0.07 0.57 0.78 -0.07 -1.93 0.00 0.00 178.83 178.25 1wgg h LEU 37 N -0.50 0.00 -0.25 -2.39 3.38 -1.49 0.75 115.31 114.80 1wgg h LEU 37 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wgg h LEU 37 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wgg h LEU 37 CO 0.00 0.00 0.04 0.15 0.09 0.00 0.00 178.44 178.72 1wgg h PHE 38 N 0.00 0.45 -0.00 1.13 3.04 -1.38 -0.59 116.94 119.60 1wgg h PHE 38 Ca 0.31 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1wgg h PHE 38 Cb 1.87 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 40.26 1wgg h PHE 38 CO 0.00 0.54 -0.05 0.00 -2.02 0.00 0.00 178.31 176.78 1wgg n ALA 39 N -2.32 2.60 -0.08 2.41 0.00 0.25 0.19 120.51 123.57 1wgg n ALA 39 Ca -0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1wgg n ALA 39 Cb 0.20 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 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 0.19 0.00 0.00 0.00 3.38 -0.51 -3.43 115.31 114.94 1wgg h LEU 40 Ca 0.00 -0.59 -0.27 0.00 0.09 0.00 0.00 57.88 57.11 1wgg h LEU 40 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1wgg h LEU 40 CO 0.00 1.06 -1.86 0.35 0.09 0.00 0.00 178.44 178.08 1wgg n THR 41 N -4.58 1.00 0.00 0.22 -2.24 -0.29 -5.04 114.28 103.36 1wgg n THR 41 Ca -0.15 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1wgg n THR 41 Cb 0.45 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 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 1.93 0.13 3.84 3.38 0.00 0.13 -5.05 105.19 109.56 1wgg n GLY 42 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.08 4.70 0.80 1.61 1.01 -1.25 -4.74 120.40 121.46 1wgg s VAL 43 Ca 0.00 0.97 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1wgg s VAL 43 Cb 0.00 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.75 1wgg s VAL 43 CO 0.00 0.01 1.15 -1.10 0.00 0.00 0.00 175.10 175.16 1wgg s GLN 44 N -2.51 1.81 0.00 2.72 1.11 -1.26 -3.83 119.66 117.70 1wgg s GLN 44 Ca 0.48 1.53 0.21 0.00 0.01 0.00 0.00 55.36 57.59 1wgg s GLN 44 Cb -0.13 -1.82 1.25 0.00 -1.01 0.00 0.00 33.01 31.30 1wgg s GLN 44 CO 0.19 -2.04 1.66 -0.35 0.01 0.00 0.00 175.29 174.77 1wgg n PRO 45 N -3.41 0.75 -0.12 2.91 -0.04 -1.26 -0.96 135.00 132.86 1wgg n PRO 45 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1wgg n PRO 45 Cb 0.52 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.94 1.49 0.13 0.55 0.00 -1.26 -4.52 120.51 115.96 1wgg n ALA 46 Ca 0.16 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.36 1wgg n ALA 46 Cb 0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.32 1wgg n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgg h ARG 47 N 0.00 0.43 -5.41 0.00 3.08 -1.88 -3.43 114.38 107.17 1wgg h ARG 47 Ca -0.53 -0.73 -0.34 0.00 0.07 0.00 0.00 59.98 58.45 1wgg h ARG 47 Cb 1.84 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 32.15 1wgg h ARG 47 CO -0.08 1.35 1.27 1.04 -1.07 0.00 0.00 179.97 182.48 1wgg n GLN 48 N -3.64 0.69 -2.37 0.04 6.02 -0.14 -4.47 117.38 113.52 1wgg n GLN 48 Ca -0.13 -0.22 -0.37 0.00 -0.01 0.00 0.00 57.00 56.27 1wgg n GLN 48 Cb 1.07 -3.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.23 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 8.47 3.14 -0.63 -1.09 2.20 0.07 -4.84 119.74 127.07 1wgg s LYS 49 Ca 1.05 -0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 55.87 1wgg s LYS 49 Cb -0.37 -4.96 0.06 0.00 -1.51 0.00 0.00 37.83 31.05 1wgg s LYS 49 CO 0.27 -2.57 0.98 0.08 -0.36 0.00 0.00 175.35 173.75 1wgg s VAL 50 N 6.92 4.30 0.86 4.02 1.01 -1.26 -2.74 120.40 133.52 1wgg s VAL 50 Ca 0.53 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1wgg s VAL 50 Cb -0.05 -4.65 0.11 0.00 0.00 0.00 0.00 36.38 31.80 1wgg s VAL 50 CO 0.00 -1.36 1.18 -0.04 0.00 0.00 0.00 175.10 174.88 1wgg s MET 51 N 4.16 1.51 0.08 2.72 -1.94 -0.76 -1.94 119.30 123.12 1wgg s MET 51 Ca 0.26 0.11 0.02 0.00 -1.71 0.00 0.00 55.69 54.37 1wgg s MET 51 Cb -0.15 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.76 1wgg s MET 51 CO 0.14 -1.91 -0.07 0.08 -0.01 0.00 0.00 175.02 173.25 1wgg s VAL 52 N -3.50 0.63 0.14 -6.03 1.01 0.55 -4.28 120.40 108.93 1wgg s VAL 52 Ca 0.64 -1.63 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1wgg s VAL 52 Cb -0.11 -1.30 0.23 0.00 0.00 0.00 0.00 36.38 35.19 1wgg s VAL 52 CO 0.51 -0.71 0.79 0.29 0.00 0.00 0.00 175.10 175.98 1wgg n LYS 53 N 0.49 -0.04 -2.69 2.72 4.76 -1.26 -2.04 118.16 120.10 1wgg n LYS 53 Ca -0.16 0.78 -0.07 0.00 -2.87 0.00 0.00 58.31 55.99 1wgg n LYS 53 Cb 0.59 -1.18 0.08 0.00 -1.84 0.00 0.00 35.03 32.67 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 -1.31 1.47 0.00 0.72 0.00 -1.26 -5.12 105.19 99.69 1wgg n GLY 54 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.41 -1.27 3.27 -0.02 0.00 -0.86 -5.16 105.19 100.73 1wgg n GLY 55 Ca 0.02 -0.90 -0.27 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 -2.76 1.77 0.07 2.61 2.01 -1.26 0.21 115.64 118.28 1wgg s THR 56 Ca 0.00 -1.23 -0.31 0.00 0.31 0.00 0.00 61.69 60.47 1wgg s THR 56 Cb 0.00 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 1wgg s THR 56 CO 0.00 0.25 1.31 -0.22 -0.69 0.00 0.00 174.62 175.28 1wgg s LEU 57 N -1.16 4.36 0.00 4.42 0.20 -0.82 -4.91 118.68 120.77 1wgg s LEU 57 Ca 0.08 2.16 -0.15 0.00 0.69 0.00 0.00 54.13 56.91 1wgg s LEU 57 Cb -0.09 -3.58 0.22 0.00 -0.43 0.00 0.00 46.19 42.31 1wgg s LEU 57 CO 0.02 -0.60 0.95 0.29 -0.29 0.00 0.00 176.35 176.73 1wgg n LYS 58 N 4.24 -2.06 0.00 1.98 5.02 -1.26 -4.90 118.16 121.18 1wgg n LYS 58 Ca 0.11 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 1wgg n LYS 58 Cb 0.44 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wgg n ASP 59 N -4.18 1.50 0.41 4.39 9.92 -1.26 -4.55 116.55 122.79 1wgg n ASP 59 Ca 0.13 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.22 1wgg n ASP 59 Cb 0.47 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.87 1wgg n ASP 59 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wgg h ASP 60 N 0.00 -0.90 -5.06 -2.24 5.19 -1.98 -3.31 116.42 108.12 1wgg h ASP 60 Ca 0.00 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1wgg h ASP 60 Cb 0.97 0.23 -0.14 0.00 0.18 0.00 0.00 39.33 40.57 1wgg h ASP 60 CO 0.00 -0.60 -0.07 -1.81 -3.12 0.00 0.00 179.24 173.63 1wgg s ASP 61 N -3.83 -0.26 0.01 6.45 1.01 -1.26 -4.60 116.67 114.19 1wgg s ASP 61 Ca -0.15 -0.21 -0.23 0.00 0.71 0.00 0.00 52.55 52.66 1wgg s ASP 61 Cb 0.02 0.46 -0.13 0.00 1.01 0.00 0.00 42.92 44.28 1wgg s ASP 61 CO 0.46 -0.80 1.08 -0.50 0.21 0.00 0.00 175.17 175.62 1wgg h TRP 62 N 2.54 -0.79 0.00 4.23 4.06 -1.91 -3.42 115.95 120.67 1wgg h TRP 62 Ca -0.33 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1wgg h TRP 62 Cb 1.24 0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.66 1wgg h TRP 62 CO 0.35 -0.49 0.00 0.41 -3.56 0.00 0.00 178.44 175.15 1wgg n GLY 63 N -0.65 0.82 2.72 1.49 0.00 -1.26 -4.29 105.19 104.02 1wgg n GLY 63 Ca -0.11 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 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 1.76 7.31 -4.75 1.61 3.02 -1.26 -4.95 115.26 118.01 1wgg n ASN 64 Ca 0.00 -3.60 -0.36 0.00 -0.03 0.00 0.00 54.58 50.59 1wgg n ASN 64 Cb 0.00 -1.16 -0.07 0.00 -0.61 0.00 0.00 39.78 37.94 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 -3.91 5.38 -0.44 2.41 1.01 -1.26 -5.05 121.20 119.33 1wgg s ILE 65 Ca 0.51 0.32 -0.19 0.00 0.00 0.00 0.00 60.65 61.29 1wgg s ILE 65 Cb 0.35 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1wgg s ILE 65 CO -0.28 0.45 0.53 -0.75 0.00 0.00 0.00 174.94 174.88 1wgg s LYS 66 N 0.21 3.16 0.37 2.79 2.20 -1.26 -5.05 119.74 122.16 1wgg s LYS 66 Ca 0.12 -0.64 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 1wgg s LYS 66 Cb -0.12 -3.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 1wgg s LYS 66 CO 0.01 -0.95 0.13 -1.64 -0.36 0.00 0.00 175.35 172.54 1wgg s MET 67 N 2.42 2.24 0.12 4.03 -1.94 -1.26 -5.05 119.30 119.86 1wgg s MET 67 Ca 0.16 -1.71 -0.22 0.00 -1.71 0.00 0.00 55.69 52.21 1wgg s MET 67 Cb -0.16 -2.04 0.06 0.00 2.01 0.00 0.00 34.83 34.70 1wgg s MET 67 CO 0.15 0.03 0.54 -1.59 -0.01 0.00 0.00 175.02 174.14 1wgg s LYS 68 N -3.84 1.18 -0.36 2.03 -2.85 -1.26 -5.13 119.74 109.51 1wgg s LYS 68 Ca 0.38 -0.45 -0.20 0.00 -1.00 0.00 0.00 55.97 54.70 1wgg s LYS 68 Cb 0.01 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1wgg s LYS 68 CO 0.22 -0.48 0.63 -0.80 0.10 0.00 0.00 175.35 175.02 1wgg s ASN 69 N -2.56 6.42 0.00 0.03 0.01 -1.26 -3.95 114.94 113.63 1wgg s ASN 69 Ca -0.00 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1wgg s ASN 69 Cb -0.00 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1wgg s ASN 69 CO -0.10 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 1wgg n GLY 70 N 4.68 3.86 3.24 0.66 0.00 0.16 -4.86 105.19 112.92 1wgg n GLY 70 Ca -0.01 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.80 -4.92 1.61 0.00 -1.25 -4.69 117.12 106.06 1wgg n MET 71 Ca 0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 57.70 56.86 1wgg n MET 71 Cb 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 33.22 31.41 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 -2.21 2.92 -0.19 3.17 2.01 -1.26 -2.57 115.64 117.51 1wgg s THR 72 Ca 0.54 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 1wgg s THR 72 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1wgg s THR 72 CO 0.62 0.58 0.03 -0.69 -0.69 0.00 0.00 174.62 174.46 1wgg s VAL 73 N -0.46 4.30 -0.13 3.82 1.01 0.54 -4.81 120.40 124.67 1wgg s VAL 73 Ca 0.06 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1wgg s VAL 73 Cb -0.12 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1wgg s VAL 73 CO 0.02 0.44 0.40 -0.22 0.00 0.00 0.00 175.10 175.74 1wgg s LEU 74 N 0.76 4.27 -0.09 3.92 1.98 -1.26 -0.49 118.68 127.78 1wgg s LEU 74 Ca 0.02 0.71 0.04 0.00 -2.89 0.00 0.00 54.13 52.01 1wgg s LEU 74 Cb -0.14 -2.57 -0.01 0.00 0.66 0.00 0.00 46.19 44.14 1wgg s LEU 74 CO 0.02 0.06 -0.23 -0.32 -1.89 0.00 0.00 176.35 173.99 1wgg s MET 75 N 0.47 2.88 -0.07 1.98 1.75 -0.54 -1.82 119.30 123.94 1wgg s MET 75 Ca 0.22 -0.86 -0.03 0.00 -1.25 0.00 0.00 55.69 53.77 1wgg s MET 75 Cb -0.14 -2.29 0.04 0.00 2.84 0.00 0.00 34.83 35.28 1wgg s MET 75 CO 0.08 0.28 0.08 -1.64 -0.65 0.00 0.00 175.02 173.17 1wgg s MET 76 N 0.11 -0.04 0.00 4.11 -1.94 -1.11 -4.53 119.30 115.91 1wgg s MET 76 Ca -0.11 0.31 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1wgg s MET 76 Cb -0.16 -0.74 0.00 0.00 2.01 0.00 0.00 34.83 35.94 1wgg s MET 76 CO 0.06 -0.40 0.00 0.41 -0.01 0.00 0.00 175.02 175.09 1wgg n GLY 77 N 5.30 1.60 3.51 -0.03 0.00 -1.26 -0.75 105.19 113.56 1wgg n GLY 77 Ca -0.04 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 4.02 -0.49 1.61 0.01 -1.26 -4.97 113.70 112.63 1wgg s SER 78 Ca 0.00 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.77 1wgg s SER 78 Cb 0.00 -0.62 0.13 0.00 0.21 0.00 0.00 66.02 65.73 1wgg s SER 78 CO 0.00 0.17 0.23 0.00 0.41 0.00 0.00 173.24 174.05 1wgg s ALA 79 N -1.20 3.24 -0.38 1.44 0.00 -1.26 -4.70 121.76 118.90 1wgg s ALA 79 Ca 0.19 -3.10 -0.41 0.00 0.00 0.00 0.00 51.96 48.64 1wgg s ALA 79 Cb -0.11 -2.16 -0.16 0.00 0.00 0.00 0.00 23.12 20.69 1wgg s ALA 79 CO 0.11 -1.95 1.90 -0.40 0.00 0.00 0.00 175.76 175.43 1wgg n ASP 80 N 3.41 1.77 -4.59 0.00 5.75 -1.26 -4.81 116.55 116.83 1wgg n ASP 80 Ca 0.05 0.87 -0.42 0.00 -0.01 0.00 0.00 54.79 55.27 1wgg n ASP 80 Cb 0.35 -1.07 -0.02 0.00 -1.03 0.00 0.00 41.12 39.35 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wgg s ALA 81 N 4.81 2.93 0.72 2.12 0.00 -1.26 -4.99 121.76 126.09 1wgg s ALA 81 Ca 1.07 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 1wgg s ALA 81 Cb -1.19 -4.01 0.02 0.00 0.00 0.00 0.00 23.12 17.94 1wgg s ALA 81 CO 0.65 -2.63 1.08 -0.51 0.00 0.00 0.00 175.76 174.36 1wgg s LEU 82 N 5.81 2.88 -1.22 0.00 1.43 -1.26 -4.90 118.68 121.42 1wgg s LEU 82 Ca 0.59 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1wgg s LEU 82 Cb -0.13 -4.05 -0.07 0.00 0.03 0.00 0.00 46.19 41.97 1wgg s LEU 82 CO 0.30 -1.46 2.46 -0.81 0.23 0.00 0.00 176.35 177.07 1wgg n PRO 83 N -3.10 2.76 -3.51 1.29 -0.04 -1.26 -4.74 135.00 126.40 1wgg n PRO 83 Ca 0.07 -1.79 -0.14 0.00 -0.04 0.00 0.00 63.50 61.60 1wgg n PRO 83 Cb 0.56 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.36 1wgg n PRO 83 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1wgg s GLU 84 N 2.92 0.96 -0.18 0.54 -6.30 -1.26 -5.15 118.70 110.23 1wgg s GLU 84 Ca 0.53 -0.00 -0.13 0.00 -2.50 0.00 0.00 54.97 52.87 1wgg s GLU 84 Cb 0.14 0.45 -0.05 0.00 0.00 0.00 0.00 34.13 34.67 1wgg s GLU 84 CO -0.04 -0.35 0.24 -1.21 0.02 0.00 0.00 175.26 173.92 1wgg s GLU 85 N -2.00 4.22 1.06 4.30 2.02 -1.26 -5.09 118.70 121.95 1wgg s GLU 85 Ca -0.04 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.76 1wgg s GLU 85 Cb -0.00 -3.45 0.23 0.00 0.10 0.00 0.00 34.13 31.01 1wgg s GLU 85 CO 0.00 0.21 1.21 -1.25 0.02 0.00 0.00 175.26 175.46 1wgg s PRO 86 N 0.57 -0.14 0.19 0.39 0.04 -1.26 -5.10 135.00 129.69 1wgg s PRO 86 Ca 0.13 -0.20 -0.08 0.00 0.04 0.00 0.00 61.00 60.89 1wgg s PRO 86 Cb -0.13 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1wgg s PRO 86 CO 0.03 -2.97 0.30 0.45 0.04 0.00 0.00 177.00 174.84 1wgg s SER 87 N -4.38 0.03 0.42 6.66 0.15 -1.26 -5.18 113.70 110.14 1wgg s SER 87 Ca 0.72 -0.97 0.07 0.00 0.70 0.00 0.00 55.95 56.46 1wgg s SER 87 Cb -0.07 0.46 -0.07 0.00 -1.71 0.00 0.00 66.02 64.62 1wgg s SER 87 CO 0.54 -0.94 0.05 0.00 1.20 0.00 0.00 173.24 174.10 1wgg s ALA 88 N -4.01 3.31 0.10 5.45 0.00 -1.26 -5.16 121.76 120.19 1wgg s ALA 88 Ca 0.22 -2.18 -0.25 0.00 0.00 0.00 0.00 51.96 49.74 1wgg s ALA 88 Cb 0.03 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.26 1wgg s ALA 88 CO 0.04 -0.13 0.66 0.21 0.00 0.00 0.00 175.76 176.54 1wgg s LYS 89 N -3.76 1.17 0.30 0.00 2.47 -1.26 -5.12 119.74 113.54 1wgg s LYS 89 Ca 0.35 -0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.43 1wgg s LYS 89 Cb 0.08 0.54 0.00 0.00 -1.46 0.00 0.00 37.83 37.00 1wgg s LYS 89 CO 0.18 -0.49 0.00 2.41 0.16 0.00 0.00 175.35 177.61 1wgg n THR 90 N -0.16 -8.85 -3.72 3.43 -1.04 -1.26 -5.08 114.28 97.60 1wgg n THR 90 Ca -0.16 2.87 -0.11 0.00 -2.04 0.00 0.00 64.05 64.61 1wgg n THR 90 Cb 0.63 -4.25 -0.06 0.00 -1.82 0.00 0.00 70.33 64.83 1wgg n THR 90 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1wgg s SER 91 N -1.33 -0.14 -0.55 8.00 1.04 -1.26 -5.12 113.70 114.34 1wgg s SER 91 Ca 0.00 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.20 1wgg s SER 91 Cb 0.00 0.40 0.15 0.00 0.10 0.00 0.00 66.02 66.67 1wgg s SER 91 CO 0.00 -0.71 0.35 -0.83 0.98 0.00 0.00 173.24 173.02 1wgg s GLY 92 N -2.41 2.24 -0.08 7.32 0.00 -1.26 -4.95 107.32 108.19 1wgg s GLY 92 Ca -0.01 -3.18 -0.22 0.00 0.00 0.00 0.00 44.72 41.32 1wgg s GLY 92 CO -0.07 1.33 0.81 -0.56 0.00 0.00 0.00 173.10 174.61 1wgg h PRO 93 N 6.06 -0.11 -4.57 2.90 0.13 -2.04 -3.48 132.00 130.89 1wgg h PRO 93 Ca 0.07 0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.97 1wgg h PRO 93 Cb 0.85 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.86 1wgg h PRO 93 CO 0.60 0.43 -0.64 0.45 -0.23 0.00 0.00 178.00 178.61 1wgg s SER 94 N -5.70 0.52 0.21 1.44 0.15 -1.26 -5.07 113.70 103.99 1wgg s SER 94 Ca -0.13 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1wgg s SER 94 Cb -0.00 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wgg s SER 94 CO 0.51 -0.72 0.00 -0.24 1.20 0.00 0.00 173.24 173.99 1wgg n SER 95 N -0.19 -8.79 0.00 5.45 2.88 -1.26 -5.21 113.62 106.50 1wgg n SER 95 Ca -0.04 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1wgg n SER 95 Cb 0.64 -4.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.13 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42