#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 -6.44 -3.50 1.61 7.64 -1.26 -4.40 113.62 107.27 1wgg n SER 2 Ca 0.00 0.74 -0.39 0.00 1.01 0.00 0.00 58.87 60.23 1wgg n SER 2 Cb 0.00 -4.24 0.04 0.00 -1.01 0.00 0.00 64.21 59.00 1wgg n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgg n SER 3 N 0.09 -5.37 0.00 6.43 7.64 -1.26 -4.89 113.62 116.26 1wgg n SER 3 Ca 0.04 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wgg n SER 3 Cb 0.17 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 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 -0.24 -0.95 3.12 0.23 0.00 -1.26 -5.11 105.19 100.97 1wgg n GLY 4 Ca -0.10 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.90 1wgg n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgg s SER 5 N -4.00 -1.18 0.04 1.61 0.15 -1.26 -4.96 113.70 104.10 1wgg s SER 5 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1wgg s SER 5 Cb 0.00 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.96 1wgg s SER 5 CO 0.00 -0.19 0.00 -1.20 1.20 0.00 0.00 173.24 173.05 1wgg n SER 6 N 4.91 0.19 -3.95 5.45 7.64 -1.26 -5.04 113.62 121.56 1wgg n SER 6 Ca 0.07 0.06 -0.56 0.00 1.01 0.00 0.00 58.87 59.46 1wgg n SER 6 Cb 0.57 -0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.64 1wgg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 7 N 2.66 0.05 3.97 0.23 0.00 -1.26 -4.66 105.19 106.17 1wgg n GLY 7 Ca 0.00 0.91 -0.21 0.00 0.00 0.00 0.00 46.02 46.72 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 3.63 3.37 -0.27 1.61 2.02 0.41 -4.91 117.35 123.20 1wgg s TYR 8 Ca 0.96 0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 57.72 1wgg s TYR 8 Cb -1.30 -1.82 0.05 0.00 -0.40 0.00 0.00 41.96 38.48 1wgg s TYR 8 CO 0.66 0.18 -0.06 -1.12 -1.57 0.00 0.00 175.55 173.64 1wgg s SER 9 N -4.06 4.56 0.43 2.29 0.01 -1.26 -1.73 113.70 113.94 1wgg s SER 9 Ca 0.39 -1.21 0.05 0.00 1.31 0.00 0.00 55.95 56.50 1wgg s SER 9 Cb -0.09 -1.64 -0.06 0.00 0.21 0.00 0.00 66.02 64.44 1wgg s SER 9 CO 0.32 -0.20 0.02 0.68 0.41 0.00 0.00 173.24 174.47 1wgg s VAL 10 N 1.22 1.63 0.05 3.43 -7.23 -1.22 0.48 120.40 118.76 1wgg s VAL 10 Ca -0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1wgg s VAL 10 Cb -0.19 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1wgg s VAL 10 CO -0.04 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.78 1wgg s THR 11 N -2.83 3.46 -0.13 5.32 2.01 -0.99 -2.82 115.64 119.67 1wgg s THR 11 Ca 0.26 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1wgg s THR 11 Cb 0.07 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1wgg s THR 11 CO 0.13 0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.55 1wgg s VAL 12 N -1.08 3.37 -0.21 3.82 1.01 -0.55 0.20 120.40 126.96 1wgg s VAL 12 Ca 0.19 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1wgg s VAL 12 Cb -0.11 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1wgg s VAL 12 CO 0.10 0.52 -0.15 -0.75 0.00 0.00 0.00 175.10 174.83 1wgg s LYS 13 N 0.21 2.76 -0.30 2.72 2.20 -0.05 -2.31 119.74 124.98 1wgg s LYS 13 Ca -0.06 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 54.54 1wgg s LYS 13 Cb -0.15 -2.74 0.10 0.00 -1.51 0.00 0.00 37.83 33.53 1wgg s LYS 13 CO 0.04 -0.34 0.09 -0.46 -0.36 0.00 0.00 175.35 174.32 1wgg s TRP 14 N 1.25 1.66 0.00 4.03 -0.00 -1.05 -1.90 118.94 122.92 1wgg s TRP 14 Ca 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 56.10 54.43 1wgg s TRP 14 Cb -0.16 -1.66 0.00 0.00 -0.00 0.00 0.00 33.47 31.66 1wgg s TRP 14 CO -0.09 -0.86 0.00 0.41 -0.00 0.00 0.00 176.95 176.41 1wgg n GLY 15 N 4.86 2.49 0.19 5.86 0.00 -1.26 0.14 105.19 117.47 1wgg n GLY 15 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 0.05 -7.02 1.61 1.57 -2.02 -3.43 116.57 107.33 1wgg h LYS 16 Ca 0.00 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1wgg h LYS 16 Cb 0.00 -0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.41 1wgg h LYS 16 CO 0.00 0.39 0.57 -1.21 -0.57 0.00 0.00 179.45 178.63 1wgg s GLU 17 N -4.26 3.43 -0.06 3.15 2.02 0.37 -5.03 118.70 118.31 1wgg s GLU 17 Ca -0.03 2.07 -0.03 0.00 0.02 0.00 0.00 54.97 57.00 1wgg s GLU 17 Cb 0.14 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 32.06 1wgg s GLU 17 CO 0.73 -0.91 0.13 0.21 0.02 0.00 0.00 175.26 175.44 1wgg s LYS 18 N -2.78 0.08 -0.19 1.61 2.20 -1.26 -2.53 119.74 116.87 1wgg s LYS 18 Ca 0.67 0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 56.60 1wgg s LYS 18 Cb -0.36 -0.17 0.06 0.00 -1.51 0.00 0.00 37.83 35.85 1wgg s LYS 18 CO 0.43 -0.15 0.02 -0.06 -0.36 0.00 0.00 175.35 175.23 1wgg s PHE 19 N 1.08 1.14 -0.19 4.03 0.08 -0.98 -5.04 117.98 118.10 1wgg s PHE 19 Ca -0.08 -0.90 -0.03 0.00 0.12 0.00 0.00 56.93 56.04 1wgg s PHE 19 Cb -0.11 -1.07 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 1wgg s PHE 19 CO -0.05 -0.61 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.19 1wgg s GLU 20 N 1.82 3.42 0.00 0.44 2.02 -1.26 -1.48 118.70 123.67 1wgg s GLU 20 Ca -0.01 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1wgg s GLU 20 Cb -0.17 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1wgg s GLU 20 CO -0.08 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1wgg n GLY 21 N 4.27 0.67 3.80 -1.39 0.00 -1.26 -5.07 105.19 106.22 1wgg n GLY 21 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.07 5.07 0.02 1.61 1.01 -1.13 -5.02 120.40 120.90 1wgg s VAL 22 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1wgg s VAL 22 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1wgg s VAL 22 CO 0.00 0.50 1.03 -1.83 0.00 0.00 0.00 175.10 174.80 1wgg s GLU 23 N -0.55 4.54 -0.01 2.72 -1.05 -1.26 -3.39 118.70 119.70 1wgg s GLU 23 Ca 0.24 1.51 0.00 0.00 -0.15 0.00 0.00 54.97 56.57 1wgg s GLU 23 Cb -0.16 -3.43 0.01 0.00 -0.44 0.00 0.00 34.13 30.11 1wgg s GLU 23 CO 0.12 -0.08 -0.01 -1.17 0.95 0.00 0.00 175.26 175.08 1wgg s LEU 24 N 0.93 1.78 -0.01 1.83 2.96 -0.71 -4.89 118.68 120.58 1wgg s LEU 24 Ca 0.53 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 1wgg s LEU 24 Cb -0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 1wgg s LEU 24 CO 0.29 -0.01 -0.13 0.20 -1.32 0.00 0.00 176.35 175.37 1wgg s ASN 25 N 0.24 1.54 -0.17 3.68 -0.87 -1.26 0.15 114.94 118.24 1wgg s ASN 25 Ca -0.02 -0.24 0.07 0.00 -1.57 0.00 0.00 52.86 51.10 1wgg s ASN 25 Cb -0.04 -0.22 -0.22 0.00 -0.02 0.00 0.00 41.25 40.74 1wgg s ASN 25 CO -0.01 0.15 0.15 0.35 -2.57 0.00 0.00 177.10 175.17 1wgg n THR 26 N 2.86 1.55 -0.03 1.60 -2.24 -1.26 -4.11 114.28 112.65 1wgg n THR 26 Ca -0.15 -0.71 0.24 0.00 -2.27 0.00 0.00 64.05 61.15 1wgg n THR 26 Cb 0.55 -1.15 0.63 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.02 0.00 -6.12 3.42 3.58 -1.96 -3.40 116.42 111.96 1wgg h ASP 27 Ca -0.48 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.44 1wgg h ASP 27 Cb 2.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.08 1wgg h ASP 27 CO 0.01 0.00 -0.18 -0.62 -2.88 0.00 0.00 179.24 175.57 1wgg n GLU 28 N -3.50 0.66 -1.55 0.28 -0.58 -1.26 -5.12 120.64 109.57 1wgg n GLU 28 Ca 0.14 -3.24 -0.30 0.00 -0.42 0.00 0.00 57.16 53.34 1wgg n GLU 28 Cb 0.98 0.10 0.10 0.00 -0.57 0.00 0.00 31.44 32.05 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 -4.37 1.94 0.07 3.49 0.04 -1.26 -4.75 135.00 130.15 1wgg s PRO 29 Ca 0.43 0.58 0.23 0.00 0.04 0.00 0.00 61.00 62.29 1wgg s PRO 29 Cb -0.03 -1.91 0.92 0.00 0.04 0.00 0.00 34.50 33.52 1wgg s PRO 29 CO 0.28 -1.71 1.71 -0.35 0.04 0.00 0.00 177.00 176.97 1wgg n PRO 30 N -3.48 0.07 -0.01 0.56 -0.04 -1.26 -3.00 135.00 127.84 1wgg n PRO 30 Ca 0.07 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1wgg n PRO 30 Cb 0.57 -1.60 0.27 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.54 0.83 0.54 2.86 -1.81 -2.34 114.93 115.55 1wgg h MET 31 Ca 0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1wgg h MET 31 Cb 0.43 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1wgg h MET 31 CO 0.00 0.59 -0.40 0.28 1.06 0.00 0.00 176.91 178.44 1wgg h VAL 32 N 0.51 0.00 -1.03 -2.22 2.07 -1.91 0.78 116.25 114.45 1wgg h VAL 32 Ca 0.10 -0.06 0.27 0.00 0.82 0.00 0.00 66.70 67.84 1wgg h VAL 32 Cb 0.39 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 1wgg h VAL 32 CO 0.02 0.00 0.70 0.15 0.02 0.00 0.00 177.57 178.45 1wgg h PHE 33 N -1.18 0.36 0.00 1.57 3.57 -1.71 1.51 116.94 121.06 1wgg h PHE 33 Ca -0.11 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.32 1wgg h PHE 33 Cb 0.86 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1wgg h PHE 33 CO 0.03 0.05 -0.51 0.87 -2.23 0.00 0.00 178.31 176.52 1wgg h LYS 34 N 0.23 0.00 -0.06 1.11 1.57 -1.03 -2.70 116.57 115.69 1wgg h LYS 34 Ca 0.54 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.17 1wgg h LYS 34 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.97 1wgg h LYS 34 CO -0.16 0.30 -0.61 0.00 -0.57 0.00 0.00 179.45 178.41 1wgg h ALA 35 N 1.67 0.85 0.05 3.86 0.00 0.89 -3.11 119.26 123.48 1wgg h ALA 35 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wgg h ALA 35 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wgg h ALA 35 CO 0.04 0.73 -0.02 0.37 0.00 0.00 0.00 179.25 180.37 1wgg h GLN 36 N 0.16 -0.07 -1.66 0.00 4.15 -1.00 -3.21 115.11 113.49 1wgg h GLN 36 Ca -0.01 0.00 0.48 0.00 0.77 0.00 0.00 58.65 59.90 1wgg h GLN 36 Cb 1.11 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.75 1wgg h GLN 36 CO 0.09 0.53 1.24 -0.07 -1.93 0.00 0.00 178.83 178.69 1wgg h LEU 37 N -0.91 0.00 -0.13 -2.39 3.38 -1.53 1.17 115.31 114.90 1wgg h LEU 37 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wgg h LEU 37 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1wgg h LEU 37 CO 0.01 0.00 0.07 0.15 0.09 0.00 0.00 178.44 178.77 1wgg h PHE 38 N 0.00 0.18 0.00 1.13 3.04 -1.54 0.72 116.94 120.47 1wgg h PHE 38 Ca 0.79 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.74 1wgg h PHE 38 Cb 3.27 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 41.72 1wgg h PHE 38 CO 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 178.31 176.47 1wgg n ALA 39 N -2.17 2.29 -0.09 2.41 0.00 0.39 0.20 120.51 123.56 1wgg n ALA 39 Ca -0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1wgg n ALA 39 Cb 0.07 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 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 0.04 0.00 0.00 3.38 -0.10 -3.43 115.31 115.19 1wgg h LEU 40 Ca 0.00 -0.67 -0.24 0.00 0.09 0.00 0.00 57.88 57.06 1wgg h LEU 40 Cb 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1wgg h LEU 40 CO 0.00 1.38 -1.85 0.35 0.09 0.00 0.00 178.44 178.41 1wgg n THR 41 N -4.42 0.84 0.00 0.22 -2.24 0.11 -5.04 114.28 103.75 1wgg n THR 41 Ca -0.26 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1wgg n THR 41 Cb 0.65 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 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 2.34 1.86 3.57 3.38 0.00 0.54 -5.06 105.19 111.81 1wgg n GLY 42 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 4.04 0.72 1.61 1.01 -1.22 -4.65 120.40 119.91 1wgg s VAL 43 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1wgg s VAL 43 Cb 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1wgg s VAL 43 CO 0.00 0.53 0.99 0.00 0.00 0.00 0.00 175.10 176.63 1wgg n GLN 44 N 2.99 0.54 0.00 2.72 3.00 -1.26 -3.96 117.38 121.41 1wgg n GLN 44 Ca -0.18 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1wgg n GLN 44 Cb 0.53 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.52 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 -1.88 0.75 -0.00 -1.09 -0.04 -1.26 -1.65 135.00 129.83 1wgg n PRO 45 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1wgg n PRO 45 Cb 0.49 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.29 2.50 -0.02 0.55 0.00 -1.26 -4.69 120.51 117.30 1wgg n ALA 46 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1wgg n ALA 46 Cb 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.04 0.09 -1.96 0.00 5.12 -0.66 -4.99 116.66 114.30 1wgg n ARG 47 Ca 0.00 0.02 -0.42 0.00 -1.93 0.00 0.00 57.85 55.52 1wgg n ARG 47 Cb 0.02 -1.07 -0.03 0.00 -1.16 0.00 0.00 32.46 30.22 1wgg n ARG 47 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wgg s GLN 48 N -2.07 4.05 -0.90 5.56 -2.07 -0.89 -4.35 119.66 118.98 1wgg s GLN 48 Ca -0.05 2.14 -0.19 0.00 -1.82 0.00 0.00 55.36 55.45 1wgg s GLN 48 Cb 0.01 -4.04 0.13 0.00 -1.09 0.00 0.00 33.01 28.02 1wgg s GLN 48 CO 0.08 -1.01 1.10 0.21 -1.32 0.00 0.00 175.29 174.35 1wgg s LYS 49 N 4.34 3.56 -0.56 9.60 2.20 0.21 -4.80 119.74 134.29 1wgg s LYS 49 Ca 0.77 -1.71 -0.28 0.00 -0.36 0.00 0.00 55.97 54.39 1wgg s LYS 49 Cb -0.33 -4.85 0.03 0.00 -1.51 0.00 0.00 37.83 31.17 1wgg s LYS 49 CO 0.31 -1.76 1.14 0.08 -0.36 0.00 0.00 175.35 174.76 1wgg s VAL 50 N 2.72 4.12 0.75 4.02 1.01 -1.25 -3.00 120.40 128.77 1wgg s VAL 50 Ca 0.31 0.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 1wgg s VAL 50 Cb -0.06 -4.67 0.08 0.00 0.00 0.00 0.00 36.38 31.73 1wgg s VAL 50 CO -0.08 -1.24 1.08 -0.04 0.00 0.00 0.00 175.10 174.82 1wgg s MET 51 N 4.69 2.01 0.08 2.72 -1.94 -0.82 -1.58 119.30 124.45 1wgg s MET 51 Ca 0.42 -0.21 0.02 0.00 -1.71 0.00 0.00 55.69 54.21 1wgg s MET 51 Cb -0.08 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1wgg s MET 51 CO 0.26 -1.42 -0.07 0.08 -0.01 0.00 0.00 175.02 173.85 1wgg s VAL 52 N -3.37 0.67 0.20 -6.03 1.01 0.52 -4.37 120.40 109.02 1wgg s VAL 52 Ca 0.62 -1.63 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1wgg s VAL 52 Cb -0.10 -1.31 0.25 0.00 0.00 0.00 0.00 36.38 35.22 1wgg s VAL 52 CO 0.46 -0.68 0.96 0.29 0.00 0.00 0.00 175.10 176.13 1wgg n LYS 53 N 0.50 -0.05 -2.70 2.72 4.76 -1.26 -2.05 118.16 120.08 1wgg n LYS 53 Ca -0.16 0.90 -0.05 0.00 -2.87 0.00 0.00 58.31 56.13 1wgg n LYS 53 Cb 0.58 -1.46 0.09 0.00 -1.84 0.00 0.00 35.03 32.40 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 -1.28 1.63 0.00 0.72 0.00 -1.26 -5.13 105.19 99.87 1wgg n GLY 54 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.74 0.56 3.17 -0.02 0.00 -0.87 -5.17 105.19 102.12 1wgg n GLY 55 Ca -0.03 -0.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.10 1.37 -0.16 2.61 2.01 -1.26 0.20 115.64 118.31 1wgg s THR 56 Ca 0.00 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1wgg s THR 56 Cb 0.00 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1wgg s THR 56 CO 0.00 0.35 1.84 -0.22 -0.69 0.00 0.00 174.62 175.90 1wgg s LEU 57 N -0.50 3.92 0.00 4.42 0.20 -0.61 -4.91 118.68 121.21 1wgg s LEU 57 Ca 0.06 1.94 -0.05 0.00 0.69 0.00 0.00 54.13 56.77 1wgg s LEU 57 Cb -0.07 -3.53 0.08 0.00 -0.43 0.00 0.00 46.19 42.24 1wgg s LEU 57 CO -0.00 -1.37 0.24 0.29 -0.29 0.00 0.00 176.35 175.21 1wgg n LYS 58 N 7.88 -1.91 0.00 1.98 5.02 -1.26 -4.88 118.16 124.98 1wgg n LYS 58 Ca 0.22 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1wgg n LYS 58 Cb 0.44 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1wgg n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1wgg n ASP 59 N -3.51 1.20 0.41 4.39 5.75 -1.26 -4.57 116.55 118.96 1wgg n ASP 59 Ca 0.03 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.64 1wgg n ASP 59 Cb 0.14 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.14 1wgg n ASP 59 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1wgg h ASP 60 N 0.00 -0.89 -5.02 -1.12 3.32 -1.98 -3.34 116.42 107.38 1wgg h ASP 60 Ca 0.00 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1wgg h ASP 60 Cb 0.70 0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 1wgg h ASP 60 CO 0.00 -0.58 0.11 -1.81 -1.72 0.00 0.00 179.24 175.24 1wgg s ASP 61 N -4.32 -0.47 0.01 6.45 1.01 -1.26 -4.67 116.67 113.42 1wgg s ASP 61 Ca -0.17 -0.03 -0.16 0.00 0.71 0.00 0.00 52.55 52.90 1wgg s ASP 61 Cb 0.02 0.55 -0.09 0.00 1.01 0.00 0.00 42.92 44.41 1wgg s ASP 61 CO 0.56 -0.89 0.93 -0.50 0.21 0.00 0.00 175.17 175.47 1wgg h TRP 62 N 2.25 -0.54 0.00 4.23 4.06 -1.91 -3.42 115.95 120.62 1wgg h TRP 62 Ca -0.33 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1wgg h TRP 62 Cb 1.27 0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.61 1wgg h TRP 62 CO 0.28 -0.34 0.00 0.41 -3.56 0.00 0.00 178.44 175.23 1wgg n GLY 63 N -0.38 1.70 2.67 1.49 0.00 -1.26 -4.59 105.19 104.82 1wgg n GLY 63 Ca -0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 1.41 -1.81 -4.79 1.61 2.85 -1.26 -5.13 115.26 108.15 1wgg n ASN 64 Ca 0.00 -3.27 -0.39 0.00 -0.11 0.00 0.00 54.58 50.81 1wgg n ASN 64 Cb 0.00 1.37 -0.06 0.00 1.24 0.00 0.00 39.78 42.33 1wgg n ASN 64 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wgg s ILE 65 N -0.11 4.70 -1.35 -1.44 1.01 -1.26 -4.97 121.20 117.78 1wgg s ILE 65 Ca 0.24 1.36 -0.15 0.00 0.00 0.00 0.00 60.65 62.10 1wgg s ILE 65 Cb 0.33 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.91 1wgg s ILE 65 CO -0.06 0.50 1.91 0.29 0.00 0.00 0.00 174.94 177.58 1wgg n LYS 66 N 2.04 3.14 -2.41 2.79 4.01 -1.26 -4.96 118.16 121.51 1wgg n LYS 66 Ca -0.08 -3.12 -0.35 0.00 -0.51 0.00 0.00 58.31 54.25 1wgg n LYS 66 Cb 0.50 -3.29 -0.02 0.00 -0.51 0.00 0.00 35.03 31.72 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 2.99 3.68 0.02 1.97 -1.94 -1.26 -5.06 119.30 119.71 1wgg s MET 67 Ca 0.48 1.52 -0.11 0.00 -1.71 0.00 0.00 55.69 55.87 1wgg s MET 67 Cb 0.08 -2.16 0.01 0.00 2.01 0.00 0.00 34.83 34.77 1wgg s MET 67 CO -0.00 -0.56 0.24 -1.59 -0.01 0.00 0.00 175.02 173.09 1wgg s LYS 68 N -3.09 0.68 -0.44 2.03 -2.85 -1.26 -5.12 119.74 109.68 1wgg s LYS 68 Ca 0.68 -0.46 -0.20 0.00 -1.00 0.00 0.00 55.97 54.98 1wgg s LYS 68 Cb -0.21 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 35.87 1wgg s LYS 68 CO 0.25 -0.20 0.62 -0.80 0.10 0.00 0.00 175.35 175.32 1wgg s ASN 69 N -1.79 6.30 0.00 0.03 -0.87 -1.26 -3.88 114.94 113.47 1wgg s ASN 69 Ca -0.09 -0.41 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 1wgg s ASN 69 Cb -0.03 -2.31 0.00 0.00 -0.02 0.00 0.00 41.25 38.89 1wgg s ASN 69 CO -0.01 -0.76 0.00 0.61 -2.57 0.00 0.00 177.10 174.37 1wgg n GLY 70 N 5.05 2.02 2.33 0.66 0.00 0.18 -4.89 105.19 110.55 1wgg n GLY 70 Ca -0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.43 -4.71 1.61 0.00 -1.25 -4.65 117.12 106.69 1wgg n MET 71 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 57.70 56.84 1wgg n MET 71 Cb 0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 33.22 31.90 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 -1.72 1.24 -0.15 3.17 2.01 -1.26 -2.34 115.64 116.59 1wgg s THR 72 Ca 0.29 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 1wgg s THR 72 Cb -0.05 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1wgg s THR 72 CO 0.24 0.32 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 1wgg s VAL 73 N -0.41 3.74 -0.22 3.82 1.01 0.53 -4.86 120.40 124.00 1wgg s VAL 73 Ca 0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1wgg s VAL 73 Cb -0.06 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1wgg s VAL 73 CO -0.00 0.50 0.22 -0.22 0.00 0.00 0.00 175.10 175.60 1wgg s LEU 74 N 0.34 4.14 -0.15 3.92 1.98 -1.26 -0.87 118.68 126.78 1wgg s LEU 74 Ca -0.05 0.25 0.01 0.00 -2.89 0.00 0.00 54.13 51.45 1wgg s LEU 74 Cb -0.14 -2.22 0.00 0.00 0.66 0.00 0.00 46.19 44.49 1wgg s LEU 74 CO 0.03 0.05 -0.18 -0.32 -1.89 0.00 0.00 176.35 174.04 1wgg s MET 75 N 1.00 3.14 -0.13 1.98 -2.45 -0.80 -1.95 119.30 120.08 1wgg s MET 75 Ca 0.11 -0.79 -0.00 0.00 -1.25 0.00 0.00 55.69 53.76 1wgg s MET 75 Cb -0.13 -2.56 0.03 0.00 1.25 0.00 0.00 34.83 33.42 1wgg s MET 75 CO 0.04 -0.01 -0.07 -1.64 1.05 0.00 0.00 175.02 174.40 1wgg s MET 76 N 0.84 1.51 -0.08 4.11 -1.94 -1.16 -4.60 119.30 117.98 1wgg s MET 76 Ca -0.05 -0.35 -0.31 0.00 -1.71 0.00 0.00 55.69 53.27 1wgg s MET 76 Cb -0.15 -1.74 0.11 0.00 2.01 0.00 0.00 34.83 35.06 1wgg s MET 76 CO -0.01 -0.32 1.37 0.20 -0.01 0.00 0.00 175.02 176.25 1wgg s GLY 77 N 1.68 -0.28 -0.10 -0.03 0.00 -1.26 0.66 107.32 107.99 1wgg s GLY 77 Ca 0.04 0.35 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 1wgg s GLY 77 CO -0.08 4.97 0.21 -0.56 0.00 0.00 0.00 173.10 177.64 1wgg s SER 78 N -3.69 0.24 -1.17 1.64 0.01 -1.26 -5.00 113.70 104.47 1wgg s SER 78 Ca 0.27 0.45 -0.19 0.00 1.31 0.00 0.00 55.95 57.80 1wgg s SER 78 Cb 0.02 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.63 1wgg s SER 78 CO -0.04 -0.21 1.97 0.00 0.41 0.00 0.00 173.24 175.38 1wgg n ALA 79 N 4.88 3.73 -1.92 1.44 0.00 -1.26 -4.89 120.51 122.48 1wgg n ALA 79 Ca -0.14 -3.54 -0.40 0.00 0.00 0.00 0.00 53.44 49.36 1wgg n ALA 79 Cb 0.51 -3.57 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 1wgg n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wgg s ASP 80 N 4.59 5.35 -0.49 0.00 1.01 -1.26 -3.49 116.67 122.38 1wgg s ASP 80 Ca 0.56 0.88 -0.12 0.00 0.71 0.00 0.00 52.55 54.58 1wgg s ASP 80 Cb 0.09 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1wgg s ASP 80 CO 0.05 -2.21 0.61 0.00 0.21 0.00 0.00 175.17 173.82 1wgg n ALA 81 N 12.40 -2.88 -1.26 5.23 0.00 -1.26 -4.95 120.51 127.79 1wgg n ALA 81 Ca 0.25 0.87 -0.33 0.00 0.00 0.00 0.00 53.44 54.23 1wgg n ALA 81 Cb 0.50 -3.16 0.10 0.00 0.00 0.00 0.00 19.45 16.89 1wgg n ALA 81 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wgg s LEU 82 N -2.90 3.21 0.04 0.00 0.05 -1.23 -4.95 118.68 112.91 1wgg s LEU 82 Ca 0.18 2.21 -0.30 0.00 0.05 0.00 0.00 54.13 56.26 1wgg s LEU 82 Cb -0.05 -4.57 -0.05 0.00 -2.05 0.00 0.00 46.19 39.47 1wgg s LEU 82 CO 0.74 -2.28 1.18 -2.16 -0.55 0.00 0.00 176.35 173.28 1wgg s PRO 83 N -4.18 4.43 -0.46 1.48 0.04 -1.26 -4.93 135.00 130.12 1wgg s PRO 83 Ca 0.70 1.72 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1wgg s PRO 83 Cb -0.25 -3.39 0.48 0.00 0.04 0.00 0.00 34.50 31.37 1wgg s PRO 83 CO 0.48 -0.26 1.63 -0.85 0.04 0.00 0.00 177.00 178.04 1wgg n GLU 84 N 4.13 2.86 -0.03 4.56 0.00 -1.26 -4.64 120.64 126.25 1wgg n GLU 84 Ca 0.09 -3.58 -0.08 0.00 0.00 0.00 0.00 57.16 53.59 1wgg n GLU 84 Cb 0.47 -2.20 -0.07 0.00 0.00 0.00 0.00 31.44 29.63 1wgg n GLU 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1wgg h GLU 85 N 1.84 -0.05 0.00 3.44 4.22 -2.04 -3.47 114.58 118.52 1wgg h GLU 85 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.91 1wgg h GLU 85 Cb 1.34 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1wgg h GLU 85 CO 1.07 0.46 0.00 -0.35 -2.18 0.00 0.00 179.01 178.01 1wgg n PRO 86 N -4.75 0.58 -0.03 0.92 -0.04 -1.26 -5.02 135.00 125.41 1wgg n PRO 86 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1wgg n PRO 86 Cb 0.26 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.61 1wgg n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgg n SER 87 N -0.83 1.76 -1.15 3.54 2.88 -1.26 -5.11 113.62 113.45 1wgg n SER 87 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1wgg n SER 87 Cb 0.00 1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 64.80 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 -2.15 -3.33 -3.51 -1.46 0.00 -1.26 -4.87 120.51 103.93 1wgg n ALA 88 Ca -0.09 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.42 1wgg n ALA 88 Cb 0.55 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.53 -1.92 -3.98 0.00 3.00 -1.26 -4.93 118.16 105.55 1wgg n LYS 89 Ca -0.01 1.40 -0.33 0.00 -0.00 0.00 0.00 58.31 59.37 1wgg n LYS 89 Cb 0.63 -2.19 -0.14 0.00 0.00 0.00 0.00 35.03 33.33 1wgg n LYS 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wgg s THR 90 N -1.62 2.51 0.02 3.15 2.01 -1.26 -5.07 115.64 115.38 1wgg s THR 90 Ca 0.35 -2.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.03 1wgg s THR 90 Cb -0.04 -2.71 0.07 0.00 0.01 0.00 0.00 72.50 69.84 1wgg s THR 90 CO 0.88 -0.44 0.68 -0.94 -0.69 0.00 0.00 174.62 174.10 1wgg s SER 91 N 1.14 -0.60 -0.38 3.53 1.04 -1.26 -5.13 113.70 112.04 1wgg s SER 91 Ca 0.05 0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.92 1wgg s SER 91 Cb -0.20 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.57 1wgg s SER 91 CO -0.06 -0.72 0.13 -0.83 0.98 0.00 0.00 173.24 172.74 1wgg s GLY 92 N -1.79 1.79 0.04 7.32 0.00 -1.26 -4.96 107.32 108.47 1wgg s GLY 92 Ca -0.06 -2.48 -0.17 0.00 0.00 0.00 0.00 44.72 42.01 1wgg s GLY 92 CO 0.01 1.20 1.18 -0.56 0.00 0.00 0.00 173.10 174.92 1wgg h PRO 93 N 7.39 0.56 -7.11 2.90 0.13 -2.03 -3.45 132.00 130.39 1wgg h PRO 93 Ca -0.07 -0.55 -0.50 0.00 -0.87 0.00 0.00 66.00 64.02 1wgg h PRO 93 Cb 0.98 0.14 0.07 0.00 0.13 0.00 0.00 31.00 32.32 1wgg h PRO 93 CO 0.54 1.17 0.41 0.45 -0.23 0.00 0.00 178.00 180.33 1wgg s SER 94 N -6.92 5.75 0.35 1.44 0.15 -1.26 -4.74 113.70 108.48 1wgg s SER 94 Ca -0.12 2.07 0.00 0.00 0.70 0.00 0.00 55.95 58.60 1wgg s SER 94 Cb 0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1wgg s SER 94 CO 0.86 -1.19 0.00 -0.24 1.20 0.00 0.00 173.24 173.87 1wgg n SER 95 N -1.48 -8.44 0.00 5.45 2.88 -1.26 -5.24 113.62 105.54 1wgg n SER 95 Ca 0.11 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1wgg n SER 95 Cb 0.52 -4.28 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42