#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 0.08 1.61 2.88 -1.26 -4.93 113.62 112.00 1wgg n SER 2 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1wgg n SER 2 Cb 0.00 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 1wgg n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1wgg h SER 3 N 0.00 0.00 -2.08 -3.46 4.64 -2.09 -3.42 113.55 107.15 1wgg h SER 3 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1wgg h SER 3 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1wgg h SER 3 CO 0.00 0.00 -0.04 0.61 -0.87 0.00 0.00 176.83 176.53 1wgg n GLY 4 N -1.50 3.20 2.04 -0.77 0.00 -1.26 -5.09 105.19 101.81 1wgg n GLY 4 Ca 0.09 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.24 -0.73 -3.24 1.61 7.64 -1.26 -4.83 113.62 110.57 1wgg n SER 5 Ca 0.00 0.26 -0.26 0.00 1.01 0.00 0.00 58.87 59.88 1wgg n SER 5 Cb 0.09 0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 64.08 1wgg n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgg n SER 6 N -2.87 2.94 -4.43 6.43 7.64 -1.26 -5.06 113.62 117.01 1wgg n SER 6 Ca 0.00 -3.31 -0.34 0.00 1.01 0.00 0.00 58.87 56.23 1wgg n SER 6 Cb 0.00 -0.63 -0.13 0.00 -1.01 0.00 0.00 64.21 62.44 1wgg n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgg s GLY 7 N -2.45 1.66 0.23 0.23 0.00 -1.26 -1.42 107.32 104.30 1wgg s GLY 7 Ca 0.41 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 44.29 1wgg s GLY 7 CO -0.07 0.04 0.07 -0.19 0.00 0.00 0.00 173.10 172.95 1wgg s TYR 8 N 0.65 2.90 -0.25 1.90 1.51 0.23 -4.96 117.35 119.32 1wgg s TYR 8 Ca -0.03 -0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1wgg s TYR 8 Cb -0.15 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1wgg s TYR 8 CO 0.02 0.56 0.00 -1.12 -1.11 0.00 0.00 175.55 173.90 1wgg s SER 9 N -3.49 4.64 0.24 2.29 0.01 -1.26 -1.71 113.70 114.42 1wgg s SER 9 Ca 0.31 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.02 1wgg s SER 9 Cb -0.08 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 1wgg s SER 9 CO 0.21 -0.09 0.06 1.33 0.41 0.00 0.00 173.24 175.15 1wgg n VAL 10 N 4.81 0.00 -3.87 3.43 0.24 -1.23 0.19 118.33 121.89 1wgg n VAL 10 Ca -0.16 -1.29 -0.22 0.00 -2.04 0.00 0.00 64.34 60.63 1wgg n VAL 10 Cb 0.49 0.40 -0.17 0.00 -1.47 0.00 0.00 33.84 33.09 1wgg n VAL 10 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1wgg s THR 11 N -2.26 0.40 -0.09 3.34 2.01 -0.60 -3.08 115.64 115.37 1wgg s THR 11 Ca 0.08 0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.94 1wgg s THR 11 Cb 0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1wgg s THR 11 CO 0.06 0.24 0.56 -0.69 -0.69 0.00 0.00 174.62 174.09 1wgg s VAL 12 N 1.65 5.11 -0.15 3.82 1.01 -0.66 0.19 120.40 131.37 1wgg s VAL 12 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.12 1wgg s VAL 12 Cb -0.13 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1wgg s VAL 12 CO -0.04 0.32 -0.16 -0.75 0.00 0.00 0.00 175.10 174.47 1wgg s LYS 13 N 0.55 2.51 -0.36 2.72 2.20 -0.31 -1.01 119.74 126.06 1wgg s LYS 13 Ca 0.30 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1wgg s LYS 13 Cb -0.16 -2.23 0.11 0.00 -1.51 0.00 0.00 37.83 34.05 1wgg s LYS 13 CO 0.13 -0.20 0.15 -0.46 -0.36 0.00 0.00 175.35 174.62 1wgg s TRP 14 N 1.35 1.73 0.00 4.03 -0.00 -0.58 -2.14 118.94 123.33 1wgg s TRP 14 Ca 0.03 -1.96 0.00 0.00 -0.00 0.00 0.00 56.10 54.17 1wgg s TRP 14 Cb -0.13 -1.72 0.00 0.00 -0.00 0.00 0.00 33.47 31.62 1wgg s TRP 14 CO -0.10 -0.84 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 1wgg n GLY 15 N 4.36 1.26 0.34 5.86 0.00 -1.26 0.11 105.19 115.85 1wgg n GLY 15 Ca 0.03 -0.18 0.22 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 0.36 -6.80 1.61 1.57 -2.01 -3.39 116.57 107.92 1wgg h LYS 16 Ca 0.00 -0.02 -0.52 0.00 -1.87 0.00 0.00 60.65 58.23 1wgg h LYS 16 Cb 0.00 -0.08 0.05 0.00 0.08 0.00 0.00 32.23 32.28 1wgg h LYS 16 CO 0.00 0.24 0.67 -1.21 -0.57 0.00 0.00 179.45 178.58 1wgg s GLU 17 N -5.70 4.35 -0.02 3.15 2.02 0.31 -5.02 118.70 117.78 1wgg s GLU 17 Ca -0.10 2.19 0.02 0.00 0.02 0.00 0.00 54.97 57.10 1wgg s GLU 17 Cb 0.29 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1wgg s GLU 17 CO 0.79 -0.25 -0.07 0.21 0.02 0.00 0.00 175.26 175.96 1wgg s LYS 18 N -1.01 0.78 -0.19 1.61 2.20 -1.26 -1.53 119.74 120.34 1wgg s LYS 18 Ca 0.53 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 1wgg s LYS 18 Cb -0.39 -0.75 0.05 0.00 -1.51 0.00 0.00 37.83 35.23 1wgg s LYS 18 CO 0.47 0.07 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.45 1wgg s PHE 19 N 0.27 1.63 -0.16 4.03 0.08 -0.18 -4.99 117.98 118.66 1wgg s PHE 19 Ca -0.04 -1.16 0.01 0.00 0.12 0.00 0.00 56.93 55.86 1wgg s PHE 19 Cb -0.08 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1wgg s PHE 19 CO 0.00 -0.65 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.09 1wgg s GLU 20 N 1.66 3.13 0.00 0.44 2.02 -1.26 -1.66 118.70 123.02 1wgg s GLU 20 Ca -0.02 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1wgg s GLU 20 Cb -0.17 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1wgg s GLU 20 CO -0.07 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1wgg n GLY 21 N 4.18 0.91 3.75 -1.39 0.00 -1.26 -5.06 105.19 106.32 1wgg n GLY 21 Ca -0.20 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.13 4.46 -0.26 1.61 1.01 -1.18 -5.06 120.40 118.85 1wgg s VAL 22 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1wgg s VAL 22 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1wgg s VAL 22 CO 0.00 0.27 0.32 -1.61 0.00 0.00 0.00 175.10 174.08 1wgg s GLU 23 N -1.93 4.03 0.07 2.72 8.01 -1.26 -3.52 118.70 126.83 1wgg s GLU 23 Ca 0.24 -0.03 0.08 0.00 0.01 0.00 0.00 54.97 55.26 1wgg s GLU 23 Cb -0.12 -3.63 -0.03 0.00 -4.31 0.00 0.00 34.13 26.05 1wgg s GLU 23 CO 0.16 -0.19 -0.20 -1.17 0.01 0.00 0.00 175.26 173.87 1wgg s LEU 24 N 1.79 2.24 0.05 1.80 2.96 -0.69 -5.01 118.68 121.81 1wgg s LEU 24 Ca 0.13 -0.60 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 1wgg s LEU 24 Cb -0.15 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 1wgg s LEU 24 CO 0.09 0.10 -0.13 0.54 -1.32 0.00 0.00 176.35 175.62 1wgg s ASN 25 N -1.55 1.59 -0.15 3.68 4.22 -1.26 0.73 114.94 122.20 1wgg s ASN 25 Ca 0.06 -0.52 0.09 0.00 -2.14 0.00 0.00 52.86 50.35 1wgg s ASN 25 Cb -0.09 -0.07 -0.16 0.00 1.28 0.00 0.00 41.25 42.21 1wgg s ASN 25 CO 0.03 -0.03 -0.01 0.35 -2.04 0.00 0.00 177.10 175.41 1wgg n THR 26 N 1.63 0.97 -0.52 0.54 -2.24 -0.51 -4.42 114.28 109.73 1wgg n THR 26 Ca -0.20 -0.53 0.44 0.00 -2.27 0.00 0.00 64.05 61.49 1wgg n THR 26 Cb 0.54 -0.76 0.78 0.00 -2.10 0.00 0.00 70.33 68.79 1wgg n THR 26 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1wgg h ASP 27 N 0.00 0.02 -6.19 3.42 3.04 -1.97 -3.39 116.42 111.35 1wgg h ASP 27 Ca -0.38 0.01 -0.47 0.00 -3.24 0.00 0.00 57.03 52.95 1wgg h ASP 27 Cb 1.79 0.01 0.01 0.00 -1.04 0.00 0.00 39.33 40.09 1wgg h ASP 27 CO -0.00 -0.01 -0.12 -0.62 -2.04 0.00 0.00 179.24 176.45 1wgg n GLU 28 N -4.10 0.66 -1.55 4.15 -0.58 -1.26 -5.12 120.64 112.85 1wgg n GLU 28 Ca 0.36 -2.97 -0.29 0.00 -0.42 0.00 0.00 57.16 53.83 1wgg n GLU 28 Cb 1.64 -0.06 0.12 0.00 -0.57 0.00 0.00 31.44 32.56 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 -4.34 1.51 0.22 3.49 0.04 -1.26 -4.79 135.00 129.88 1wgg s PRO 29 Ca 0.49 0.42 0.25 0.00 0.04 0.00 0.00 61.00 62.19 1wgg s PRO 29 Cb -0.04 -1.87 0.90 0.00 0.04 0.00 0.00 34.50 33.53 1wgg s PRO 29 CO 0.31 -1.97 1.74 -0.35 0.04 0.00 0.00 177.00 176.77 1wgg n PRO 30 N -3.63 0.21 0.14 0.56 -0.04 -1.26 -3.00 135.00 127.98 1wgg n PRO 30 Ca 0.07 0.30 0.05 0.00 -0.04 0.00 0.00 63.50 63.88 1wgg n PRO 30 Cb 0.58 -1.81 0.49 0.00 -0.04 0.00 0.00 33.50 32.72 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 0.23 0.67 0.54 2.86 -1.81 -2.29 114.93 115.14 1wgg h MET 31 Ca 0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1wgg h MET 31 Cb 0.54 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1wgg h MET 31 CO 0.00 0.24 -0.32 0.28 1.06 0.00 0.00 176.91 178.16 1wgg h VAL 32 N 0.24 0.00 -1.12 -2.22 2.07 -1.91 0.20 116.25 113.50 1wgg h VAL 32 Ca 0.06 -0.20 0.31 0.00 0.82 0.00 0.00 66.70 67.69 1wgg h VAL 32 Cb 0.12 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.80 1wgg h VAL 32 CO -0.00 0.00 0.74 0.15 0.02 0.00 0.00 177.57 178.47 1wgg h PHE 33 N -1.10 0.54 0.00 1.57 3.57 -1.69 1.58 116.94 121.40 1wgg h PHE 33 Ca -0.09 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.25 1wgg h PHE 33 Cb 0.69 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1wgg h PHE 33 CO 0.02 -0.00 -0.83 0.87 -2.23 0.00 0.00 178.31 176.14 1wgg h LYS 34 N 0.27 0.02 -0.34 1.11 1.57 -1.23 -2.32 116.57 115.66 1wgg h LYS 34 Ca 0.64 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.27 1wgg h LYS 34 Cb 1.84 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 1wgg h LYS 34 CO -0.28 0.84 -0.32 0.00 -0.57 0.00 0.00 179.45 179.11 1wgg h ALA 35 N 1.16 0.79 -0.14 3.86 0.00 0.53 -2.96 119.26 122.51 1wgg h ALA 35 Ca -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1wgg h ALA 35 Cb 1.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wgg h ALA 35 CO 0.11 0.65 -0.09 0.37 0.00 0.00 0.00 179.25 180.28 1wgg h GLN 36 N 0.64 0.31 -0.20 0.00 4.15 -0.66 -2.58 115.11 116.76 1wgg h GLN 36 Ca 0.07 -0.15 0.06 0.00 0.77 0.00 0.00 58.65 59.40 1wgg h GLN 36 Cb 0.85 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1wgg h GLN 36 CO 0.07 0.66 0.44 -0.07 -1.93 0.00 0.00 178.83 178.01 1wgg h LEU 37 N -0.05 0.00 -0.11 -2.39 3.38 -1.35 0.16 115.31 114.96 1wgg h LEU 37 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wgg h LEU 37 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wgg h LEU 37 CO 0.03 0.00 0.03 0.15 0.09 0.00 0.00 178.44 178.74 1wgg h PHE 38 N 0.00 0.18 0.00 1.13 3.04 -1.29 -1.53 116.94 118.46 1wgg h PHE 38 Ca 0.09 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1wgg h PHE 38 Cb 0.97 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1wgg h PHE 38 CO 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 178.31 176.61 1wgg n ALA 39 N -2.24 2.37 -0.07 2.41 0.00 0.51 0.13 120.51 123.63 1wgg n ALA 39 Ca -0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1wgg n ALA 39 Cb 0.14 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 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 -0.61 -3.42 115.31 114.65 1wgg h LEU 40 Ca 0.00 -0.54 -0.26 0.00 0.09 0.00 0.00 57.88 57.17 1wgg h LEU 40 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1wgg h LEU 40 CO 0.00 0.84 -1.94 0.35 0.09 0.00 0.00 178.44 177.78 1wgg n THR 41 N -4.66 0.94 0.00 0.22 -2.24 -0.65 -5.03 114.28 102.86 1wgg n THR 41 Ca -0.08 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1wgg n THR 41 Cb 0.31 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 2.48 1.52 3.94 3.38 0.00 0.36 -5.05 105.19 111.81 1wgg n GLY 42 Ca -0.30 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 5.17 0.65 1.61 1.01 -1.22 -4.83 120.40 120.79 1wgg s VAL 43 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1wgg s VAL 43 Cb 0.00 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1wgg s VAL 43 CO 0.00 -0.32 1.09 -1.10 0.00 0.00 0.00 175.10 174.77 1wgg s GLN 44 N -3.72 2.93 0.00 2.72 1.11 -1.26 -3.93 119.66 117.50 1wgg s GLN 44 Ca 0.39 1.28 0.21 0.00 0.01 0.00 0.00 55.36 57.24 1wgg s GLN 44 Cb -0.10 -1.97 1.25 0.00 -1.01 0.00 0.00 33.01 31.17 1wgg s GLN 44 CO 0.31 -1.13 1.66 -0.35 0.01 0.00 0.00 175.29 175.79 1wgg n PRO 45 N -2.45 0.75 -0.13 2.91 -0.04 -1.26 -1.03 135.00 133.76 1wgg n PRO 45 Ca 0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1wgg n PRO 45 Cb 0.52 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.35 0.20 0.55 0.00 -1.26 -4.44 120.51 115.98 1wgg n ALA 46 Ca 0.16 -1.04 0.09 0.00 0.00 0.00 0.00 53.44 52.64 1wgg n ALA 46 Cb 0.07 0.11 0.29 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.71 0.00 -6.06 0.00 3.08 -1.91 -3.41 114.38 105.36 1wgg h ARG 47 Ca -0.64 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 58.92 1wgg h ARG 47 Cb 1.65 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.65 1wgg h ARG 47 CO -0.33 0.23 1.23 -0.65 -1.07 0.00 0.00 179.97 179.38 1wgg s GLN 48 N -3.35 2.80 -0.69 0.04 -0.21 -0.19 -4.51 119.66 113.55 1wgg s GLN 48 Ca 0.03 0.24 -0.27 0.00 0.02 0.00 0.00 55.36 55.38 1wgg s GLN 48 Cb 0.08 -4.43 0.01 0.00 1.00 0.00 0.00 33.01 29.66 1wgg s GLN 48 CO 0.67 -2.62 1.56 0.21 -2.12 0.00 0.00 175.29 172.99 1wgg s LYS 49 N 6.62 2.93 -0.71 2.91 2.20 -0.93 -4.86 119.74 127.90 1wgg s LYS 49 Ca 0.58 0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 56.11 1wgg s LYS 49 Cb -0.10 -4.33 0.11 0.00 -1.51 0.00 0.00 37.83 32.00 1wgg s LYS 49 CO 0.16 -2.44 0.89 0.08 -0.36 0.00 0.00 175.35 173.68 1wgg s VAL 50 N 7.31 4.71 0.93 4.02 1.01 -1.26 -2.52 120.40 134.61 1wgg s VAL 50 Ca 0.50 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1wgg s VAL 50 Cb -0.10 -4.62 0.15 0.00 0.00 0.00 0.00 36.38 31.81 1wgg s VAL 50 CO 0.16 -1.32 1.14 -0.04 0.00 0.00 0.00 175.10 175.05 1wgg s MET 51 N 2.91 0.96 0.05 2.72 -1.94 -0.74 -1.91 119.30 121.36 1wgg s MET 51 Ca 0.20 0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.42 1wgg s MET 51 Cb -0.16 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 1wgg s MET 51 CO 0.02 -2.31 -0.04 0.08 -0.01 0.00 0.00 175.02 172.76 1wgg s VAL 52 N -3.29 0.32 0.07 -6.03 1.01 0.54 -4.25 120.40 108.78 1wgg s VAL 52 Ca 0.65 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1wgg s VAL 52 Cb -0.14 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.10 1wgg s VAL 52 CO 0.54 -0.81 0.51 0.29 0.00 0.00 0.00 175.10 175.63 1wgg n LYS 53 N 0.52 -0.09 -2.81 2.72 4.76 -1.26 -1.98 118.16 120.03 1wgg n LYS 53 Ca -0.17 0.51 -0.11 0.00 -2.87 0.00 0.00 58.31 55.68 1wgg n LYS 53 Cb 0.59 -0.76 0.04 0.00 -1.84 0.00 0.00 35.03 33.07 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 -1.14 1.85 0.00 0.72 0.00 -1.26 -5.11 105.19 100.24 1wgg n GLY 54 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.04 -1.64 3.42 -0.02 0.00 -0.84 -5.16 105.19 100.91 1wgg n GLY 55 Ca 0.10 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.34 2.64 0.07 2.61 2.01 -1.26 0.20 115.64 119.58 1wgg s THR 56 Ca 0.00 -1.00 -0.31 0.00 0.31 0.00 0.00 61.69 60.69 1wgg s THR 56 Cb 0.00 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 1wgg s THR 56 CO 0.00 0.50 1.46 -0.22 -0.69 0.00 0.00 174.62 175.67 1wgg s LEU 57 N -0.93 4.35 0.00 4.42 0.20 -0.80 -4.91 118.68 121.01 1wgg s LEU 57 Ca 0.12 2.31 -0.15 0.00 0.69 0.00 0.00 54.13 57.09 1wgg s LEU 57 Cb -0.10 -3.57 0.22 0.00 -0.43 0.00 0.00 46.19 42.30 1wgg s LEU 57 CO 0.01 -0.73 0.87 0.29 -0.29 0.00 0.00 176.35 176.50 1wgg n LYS 58 N 4.75 -2.32 0.00 1.98 5.02 -1.26 -4.91 118.16 121.42 1wgg n LYS 58 Ca 0.13 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1wgg n LYS 58 Cb 0.42 -1.21 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 -0.40 -0.52 0.00 0.00 177.40 176.48 1wgg n ASP 59 N -4.28 2.55 0.33 4.39 5.75 -1.26 -4.57 116.55 119.47 1wgg n ASP 59 Ca 0.12 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.74 1wgg n ASP 59 Cb 0.45 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.46 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 -0.72 -5.03 -1.12 3.32 -1.98 -3.33 116.42 107.56 1wgg h ASP 60 Ca 0.00 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1wgg h ASP 60 Cb 0.96 0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.55 1wgg h ASP 60 CO 0.00 -0.41 0.07 -1.81 -1.72 0.00 0.00 179.24 175.37 1wgg s ASP 61 N -4.53 -0.44 0.03 6.45 1.01 -1.26 -4.64 116.67 113.28 1wgg s ASP 61 Ca -0.16 0.02 -0.28 0.00 0.71 0.00 0.00 52.55 52.84 1wgg s ASP 61 Cb 0.02 0.52 -0.17 0.00 1.01 0.00 0.00 42.92 44.31 1wgg s ASP 61 CO 0.54 -0.83 1.29 -0.50 0.21 0.00 0.00 175.17 175.88 1wgg h TRP 62 N 2.44 -0.75 -0.79 4.23 4.06 -1.90 -3.41 115.95 119.83 1wgg h TRP 62 Ca -0.32 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1wgg h TRP 62 Cb 1.25 0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.66 1wgg h TRP 62 CO 0.31 -0.41 0.00 0.41 -3.56 0.00 0.00 178.44 175.19 1wgg n GLY 63 N -0.80 0.66 3.43 1.49 0.00 -1.26 -4.38 105.19 104.33 1wgg n GLY 63 Ca -0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.04 -3.86 -4.75 1.61 4.13 -1.26 -4.93 115.26 106.16 1wgg n ASN 64 Ca 0.00 -0.72 -0.41 0.00 1.68 0.00 0.00 54.58 55.14 1wgg n ASN 64 Cb 0.24 -4.86 -0.04 0.00 -1.54 0.00 0.00 39.78 33.58 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 -3.43 3.57 -1.24 2.41 1.01 -1.26 -4.92 121.20 117.34 1wgg s ILE 65 Ca 0.21 1.49 -0.20 0.00 0.00 0.00 0.00 60.65 62.14 1wgg s ILE 65 Cb -0.04 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.50 1wgg s ILE 65 CO 0.76 0.32 1.80 -0.54 0.00 0.00 0.00 174.94 177.27 1wgg s LYS 66 N -1.02 3.44 -0.05 2.79 3.01 -1.26 -4.93 119.74 121.72 1wgg s LYS 66 Ca 0.47 -1.65 -0.07 0.00 -1.01 0.00 0.00 55.97 53.71 1wgg s LYS 66 Cb -0.32 -5.42 -0.04 0.00 -1.01 0.00 0.00 37.83 31.04 1wgg s LYS 66 CO 0.39 -2.86 0.22 -1.64 0.51 0.00 0.00 175.35 171.97 1wgg s MET 67 N 5.07 3.54 0.06 1.68 -1.94 -1.26 -5.02 119.30 121.43 1wgg s MET 67 Ca 0.59 -0.09 0.04 0.00 -1.71 0.00 0.00 55.69 54.52 1wgg s MET 67 Cb 0.02 -3.14 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 1wgg s MET 67 CO 0.09 0.71 -0.13 0.15 -0.01 0.00 0.00 175.02 175.83 1wgg s LYS 68 N -1.44 0.77 -0.23 2.03 1.02 -1.26 -5.11 119.74 115.51 1wgg s LYS 68 Ca 0.22 -0.88 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 1wgg s LYS 68 Cb -0.13 -0.73 0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1wgg s LYS 68 CO 0.12 0.16 1.07 0.54 -0.92 0.00 0.00 175.35 176.32 1wgg s ASN 69 N -1.61 7.06 0.00 2.83 2.20 -1.26 -3.05 114.94 121.11 1wgg s ASN 69 Ca -0.03 1.38 0.00 0.00 -0.94 0.00 0.00 52.86 53.27 1wgg s ASN 69 Cb -0.10 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.61 1wgg s ASN 69 CO 0.02 -0.71 0.00 0.61 -2.94 0.00 0.00 177.10 174.08 1wgg n GLY 70 N 3.43 2.05 3.50 0.45 0.00 0.50 -4.91 105.19 110.21 1wgg n GLY 70 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.52 -4.83 1.61 0.00 -1.17 -4.71 117.12 106.49 1wgg n MET 71 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 57.70 56.97 1wgg n MET 71 Cb 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 33.22 30.95 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 -2.45 3.09 -0.21 3.17 2.01 -1.26 -1.55 115.64 118.44 1wgg s THR 72 Ca 0.65 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.90 1wgg s THR 72 Cb -0.23 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1wgg s THR 72 CO 0.63 0.56 0.04 -0.69 -0.69 0.00 0.00 174.62 174.48 1wgg s VAL 73 N -0.30 4.34 0.01 3.82 1.01 0.52 -4.80 120.40 125.00 1wgg s VAL 73 Ca 0.03 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1wgg s VAL 73 Cb -0.13 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1wgg s VAL 73 CO 0.03 0.41 0.47 -0.22 0.00 0.00 0.00 175.10 175.79 1wgg s LEU 74 N 1.01 4.47 -0.06 3.92 1.98 -1.26 -1.16 118.68 127.58 1wgg s LEU 74 Ca 0.03 1.05 0.01 0.00 -2.89 0.00 0.00 54.13 52.33 1wgg s LEU 74 Cb -0.14 -2.71 0.02 0.00 0.66 0.00 0.00 46.19 44.02 1wgg s LEU 74 CO 0.03 0.26 -0.06 -0.32 -1.89 0.00 0.00 176.35 174.37 1wgg s MET 75 N -0.84 1.05 -0.18 1.98 1.75 -0.91 -1.79 119.30 120.36 1wgg s MET 75 Ca 0.26 -0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 1wgg s MET 75 Cb -0.17 -1.05 0.03 0.00 2.84 0.00 0.00 34.83 36.48 1wgg s MET 75 CO 0.15 -0.11 -0.15 -1.64 -0.65 0.00 0.00 175.02 172.62 1wgg s MET 76 N 1.09 2.47 0.00 4.11 -1.94 -1.05 -4.56 119.30 119.42 1wgg s MET 76 Ca -0.08 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.09 1wgg s MET 76 Cb -0.14 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 34.27 1wgg s MET 76 CO -0.01 -0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.10 1wgg n GLY 77 N 4.66 2.96 0.00 -0.03 0.00 -1.26 -2.18 105.19 109.33 1wgg n GLY 77 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -2.05 1.61 2.88 -1.26 -5.10 113.62 109.69 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 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 0.00 -3.24 0.00 -1.46 0.00 -1.26 -4.79 120.51 109.76 1wgg n ALA 79 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 53.44 54.64 1wgg n ALA 79 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 0.99 0.00 -3.04 0.00 2.03 -1.26 -4.44 116.55 110.82 1wgg n ASP 80 Ca -0.20 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.11 1wgg n ASP 80 Cb 0.31 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.71 1wgg n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgg s ALA 81 N -0.92 -2.58 0.19 -1.67 0.00 -1.26 -5.15 121.76 110.37 1wgg s ALA 81 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 1wgg s ALA 81 Cb 0.00 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.27 1wgg s ALA 81 CO 0.00 -2.26 0.65 -0.51 0.00 0.00 0.00 175.76 173.64 1wgg s LEU 82 N 1.59 4.34 -1.17 0.00 1.02 -1.26 -4.96 118.68 118.23 1wgg s LEU 82 Ca 0.20 1.28 -0.19 0.00 0.02 0.00 0.00 54.13 55.43 1wgg s LEU 82 Cb -0.02 -3.46 -0.04 0.00 0.02 0.00 0.00 46.19 42.69 1wgg s LEU 82 CO -0.07 0.06 1.95 -0.81 0.02 0.00 0.00 176.35 177.50 1wgg n PRO 83 N 0.74 2.28 -3.77 1.29 -0.04 -1.26 -4.32 135.00 129.92 1wgg n PRO 83 Ca -0.03 -2.54 -0.35 0.00 -0.04 0.00 0.00 63.50 60.54 1wgg n PRO 83 Cb 0.51 -3.36 0.04 0.00 -0.04 0.00 0.00 33.50 30.65 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 7.46 -0.98 0.02 0.54 2.13 -1.26 -4.91 120.64 123.65 1wgg n GLU 84 Ca 0.49 0.39 -0.12 0.00 0.66 0.00 0.00 57.16 58.58 1wgg n GLU 84 Cb 0.43 -3.68 -0.09 0.00 0.27 0.00 0.00 31.44 28.37 1wgg n GLU 84 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1wgg h GLU 85 N -1.98 -0.11 0.00 5.31 4.39 -2.00 -3.46 114.58 116.72 1wgg h GLU 85 Ca -0.66 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1wgg h GLU 85 Cb 1.37 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1wgg h GLU 85 CO 0.48 0.41 0.00 -0.35 -1.16 0.00 0.00 179.01 178.39 1wgg n PRO 86 N -4.86 -0.40 0.00 2.33 -0.04 -1.26 -5.02 135.00 125.75 1wgg n PRO 86 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1wgg n PRO 86 Cb 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 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 -2.79 0.00 -2.73 3.54 2.88 -1.26 -5.09 113.62 108.17 1wgg n SER 87 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wgg n SER 87 Cb 0.00 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.52 -2.65 -1.99 -1.46 0.00 -1.26 -5.03 120.51 106.60 1wgg n ALA 88 Ca 0.00 0.46 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 1wgg n ALA 88 Cb 0.00 -2.15 0.05 0.00 0.00 0.00 0.00 19.45 17.35 1wgg n ALA 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wgg s LYS 89 N -2.70 2.40 -0.20 0.00 -2.85 -1.26 -4.83 119.74 110.29 1wgg s LYS 89 Ca 0.10 -0.98 -0.06 0.00 -1.00 0.00 0.00 55.97 54.02 1wgg s LYS 89 Cb -0.03 -2.51 0.02 0.00 -2.06 0.00 0.00 37.83 33.26 1wgg s LYS 89 CO 0.64 -0.81 0.13 2.41 0.10 0.00 0.00 175.35 177.82 1wgg n THR 90 N -2.36-10.93 0.06 3.79 -1.04 -1.26 -5.02 114.28 97.52 1wgg n THR 90 Ca 0.10 2.09 0.00 0.00 -2.04 0.00 0.00 64.05 64.20 1wgg n THR 90 Cb 0.60 -6.12 0.00 0.00 -1.82 0.00 0.00 70.33 62.99 1wgg n THR 90 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1wgg n SER 91 N 1.41 0.56 -0.44 8.00 7.64 -1.26 -5.16 113.62 124.36 1wgg n SER 91 Ca -0.22 0.20 0.04 0.00 1.01 0.00 0.00 58.87 59.90 1wgg n SER 91 Cb 0.37 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.47 1wgg n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgg n GLY 92 N 2.80 -2.94 0.16 0.23 0.00 -1.26 -4.66 105.19 99.51 1wgg n GLY 92 Ca 0.00 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.29 0.48 -6.16 1.61 0.13 -2.02 -3.40 132.00 122.35 1wgg h PRO 93 Ca -0.04 -0.47 -0.57 0.00 -0.87 0.00 0.00 66.00 64.05 1wgg h PRO 93 Cb 0.38 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1wgg h PRO 93 CO 0.02 1.11 0.89 -1.12 -0.23 0.00 0.00 178.00 178.67 1wgg s SER 94 N -6.78 6.95 -0.37 1.44 0.01 -1.26 -4.10 113.70 109.59 1wgg s SER 94 Ca -0.13 1.70 -0.11 0.00 1.31 0.00 0.00 55.95 58.73 1wgg s SER 94 Cb 0.05 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1wgg s SER 94 CO 0.83 -0.75 0.40 -0.24 0.41 0.00 0.00 173.24 173.89 1wgg n SER 95 N 6.52 -7.60 0.00 2.44 2.88 -1.26 -5.10 113.62 111.50 1wgg n SER 95 Ca 0.14 0.74 0.00 0.00 -1.33 0.00 0.00 58.87 58.42 1wgg n SER 95 Cb 0.45 -5.11 0.00 0.00 -0.75 0.00 0.00 64.21 58.80 1wgg n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42