#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 0.87 0.18 1.61 7.64 -1.26 -5.07 113.62 117.59 1wgg n SER 2 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1wgg n SER 2 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.40 -2.83 -4.58 6.43 7.64 -1.26 -5.08 113.62 110.54 1wgg n SER 3 Ca 0.00 0.68 -0.42 0.00 1.01 0.00 0.00 58.87 60.13 1wgg n SER 3 Cb 0.10 2.74 -0.05 0.00 -1.01 0.00 0.00 64.21 65.98 1wgg n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgg s GLY 4 N -2.58 1.67 0.12 0.23 0.00 -1.26 -5.03 107.32 100.46 1wgg s GLY 4 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1wgg s GLY 4 CO 0.00 1.73 -0.12 -0.45 0.00 0.00 0.00 173.10 174.26 1wgg s SER 5 N 1.84 1.75 0.01 1.64 0.15 -1.26 -5.06 113.70 112.76 1wgg s SER 5 Ca 0.30 -0.86 -0.25 0.00 0.70 0.00 0.00 55.95 55.84 1wgg s SER 5 Cb -0.13 -0.03 -0.17 0.00 -1.71 0.00 0.00 66.02 63.98 1wgg s SER 5 CO 0.17 -0.24 1.28 0.28 1.20 0.00 0.00 173.24 175.93 1wgg h SER 6 N 3.34 -0.23 -0.38 5.45 0.02 -1.96 -3.44 113.55 116.35 1wgg h SER 6 Ca -0.38 -0.23 -0.71 0.00 -0.84 0.00 0.00 61.79 59.63 1wgg h SER 6 Cb 1.19 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 1wgg h SER 6 CO 0.55 0.13 0.90 0.61 -1.14 0.00 0.00 176.83 177.88 1wgg n GLY 7 N -0.24 0.00 3.96 -3.77 0.00 -1.26 -4.67 105.19 99.21 1wgg n GLY 7 Ca -0.09 0.93 -0.22 0.00 0.00 0.00 0.00 46.02 46.63 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 4.04 3.15 -0.16 1.61 1.51 0.37 -4.87 117.35 123.00 1wgg s TYR 8 Ca 0.98 0.17 0.01 0.00 -1.01 0.00 0.00 57.07 57.22 1wgg s TYR 8 Cb -1.30 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 38.18 1wgg s TYR 8 CO 0.63 -0.44 -0.18 -1.12 -1.11 0.00 0.00 175.55 173.33 1wgg s SER 9 N -4.25 3.35 0.34 2.29 0.01 -1.26 -1.39 113.70 112.79 1wgg s SER 9 Ca 0.50 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.23 1wgg s SER 9 Cb -0.10 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 1wgg s SER 9 CO 0.38 0.05 0.14 0.68 0.41 0.00 0.00 173.24 174.90 1wgg s VAL 10 N 0.98 0.52 -0.16 3.43 -7.23 -1.24 0.13 120.40 116.83 1wgg s VAL 10 Ca -0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1wgg s VAL 10 Cb -0.15 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.31 1wgg s VAL 10 CO -0.04 0.00 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.65 1wgg s THR 11 N -3.44 2.09 -0.21 5.32 2.01 -1.03 -3.09 115.64 117.29 1wgg s THR 11 Ca 0.32 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 1wgg s THR 11 Cb 0.05 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1wgg s THR 11 CO 0.17 0.54 0.62 -0.69 -0.69 0.00 0.00 174.62 174.57 1wgg s VAL 12 N 1.08 5.02 -0.29 3.82 1.01 0.37 0.21 120.40 131.63 1wgg s VAL 12 Ca -0.00 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.12 1wgg s VAL 12 Cb -0.14 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1wgg s VAL 12 CO -0.08 0.10 -0.03 -0.75 0.00 0.00 0.00 175.10 174.34 1wgg s LYS 13 N 2.03 2.43 -0.45 2.72 2.20 0.49 -0.30 119.74 128.87 1wgg s LYS 13 Ca 0.28 -1.25 0.02 0.00 -0.36 0.00 0.00 55.97 54.65 1wgg s LYS 13 Cb -0.16 -3.10 0.12 0.00 -1.51 0.00 0.00 37.83 33.18 1wgg s LYS 13 CO 0.10 -0.59 0.20 -0.46 -0.36 0.00 0.00 175.35 174.24 1wgg s TRP 14 N 1.23 3.50 0.00 4.03 -0.00 -0.58 -1.13 118.94 125.99 1wgg s TRP 14 Ca -0.06 -2.94 0.00 0.00 -0.00 0.00 0.00 56.10 53.10 1wgg s TRP 14 Cb -0.19 -2.97 0.00 0.00 -0.00 0.00 0.00 33.47 30.30 1wgg s TRP 14 CO -0.02 -0.87 0.00 0.41 -0.00 0.00 0.00 176.95 176.47 1wgg n GLY 15 N 3.81 2.10 0.38 5.86 0.00 -1.26 0.19 105.19 116.27 1wgg n GLY 15 Ca 0.04 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 0.61 -7.00 1.61 3.64 -1.99 -3.40 116.57 110.03 1wgg h LYS 16 Ca 0.00 -0.04 -0.50 0.00 -1.27 0.00 0.00 60.65 58.84 1wgg h LYS 16 Cb 0.00 -0.14 0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1wgg h LYS 16 CO 0.00 0.40 0.47 -1.21 -2.27 0.00 0.00 179.45 176.84 1wgg s GLU 17 N -5.65 3.81 -0.04 1.90 0.41 0.50 -5.05 118.70 114.59 1wgg s GLU 17 Ca -0.10 1.72 -0.03 0.00 -0.41 0.00 0.00 54.97 56.16 1wgg s GLU 17 Cb 0.23 -2.41 0.01 0.00 -1.78 0.00 0.00 34.13 30.18 1wgg s GLU 17 CO 0.79 -0.49 0.10 0.21 -0.49 0.00 0.00 175.26 175.38 1wgg s LYS 18 N -2.69 0.10 -0.11 1.61 2.20 -1.26 -1.53 119.74 118.06 1wgg s LYS 18 Ca 0.63 0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 56.38 1wgg s LYS 18 Cb -0.27 -0.00 0.04 0.00 -1.51 0.00 0.00 37.83 36.09 1wgg s LYS 18 CO 0.33 -0.05 0.04 -0.06 -0.36 0.00 0.00 175.35 175.25 1wgg s PHE 19 N 0.29 0.50 -0.14 4.03 0.08 0.60 -4.98 117.98 118.36 1wgg s PHE 19 Ca -0.02 -0.23 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1wgg s PHE 19 Cb -0.03 -0.75 0.01 0.00 -0.57 0.00 0.00 43.02 41.68 1wgg s PHE 19 CO -0.01 -0.38 -0.21 -1.21 -0.10 0.00 0.00 175.22 173.31 1wgg s GLU 20 N 2.03 2.92 0.00 0.44 2.02 -1.26 -0.48 118.70 124.37 1wgg s GLU 20 Ca 0.03 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1wgg s GLU 20 Cb -0.14 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1wgg s GLU 20 CO -0.06 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1wgg n GLY 21 N 4.13 0.71 3.89 -1.39 0.00 -1.25 -5.05 105.19 106.23 1wgg n GLY 21 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.21 5.26 -0.13 1.61 1.01 -1.18 -5.04 120.40 120.73 1wgg s VAL 22 Ca 0.00 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 1wgg s VAL 22 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1wgg s VAL 22 CO 0.00 0.23 0.60 -1.61 0.00 0.00 0.00 175.10 174.32 1wgg s GLU 23 N -2.15 4.32 -0.00 2.72 2.02 -1.26 -3.60 118.70 120.75 1wgg s GLU 23 Ca 0.33 0.64 0.04 0.00 0.02 0.00 0.00 54.97 56.00 1wgg s GLU 23 Cb -0.13 -3.50 -0.01 0.00 0.10 0.00 0.00 34.13 30.59 1wgg s GLU 23 CO 0.21 -0.03 -0.14 -1.17 0.02 0.00 0.00 175.26 174.15 1wgg s LEU 24 N 1.18 2.06 -0.01 1.80 2.96 -0.49 -4.95 118.68 121.23 1wgg s LEU 24 Ca 0.30 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1wgg s LEU 24 Cb -0.16 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1wgg s LEU 24 CO 0.13 0.14 -0.14 0.20 -1.32 0.00 0.00 176.35 175.36 1wgg s ASN 25 N -0.49 1.60 -0.16 3.68 -0.87 -1.26 0.14 114.94 117.57 1wgg s ASN 25 Ca 0.05 -0.26 0.16 0.00 -1.57 0.00 0.00 52.86 51.24 1wgg s ASN 25 Cb -0.06 -0.17 -0.23 0.00 -0.02 0.00 0.00 41.25 40.77 1wgg s ASN 25 CO -0.00 0.16 0.10 0.35 -2.57 0.00 0.00 177.10 175.13 1wgg n THR 26 N 2.67 1.12 -0.02 1.60 -2.24 -1.26 -4.28 114.28 111.86 1wgg n THR 26 Ca -0.14 -0.74 0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1wgg n THR 26 Cb 0.55 -0.46 0.72 0.00 -2.10 0.00 0.00 70.33 69.04 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 -5.93 3.42 3.58 -1.95 -3.41 116.42 112.12 1wgg h ASP 27 Ca -0.44 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.55 1wgg h ASP 27 Cb 2.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.04 1wgg h ASP 27 CO 0.02 0.00 -0.14 -0.62 -2.88 0.00 0.00 179.24 175.63 1wgg n GLU 28 N -3.92 0.71 -1.55 0.28 -0.58 -1.26 -5.12 120.64 109.20 1wgg n GLU 28 Ca 0.12 -2.82 -0.30 0.00 -0.42 0.00 0.00 57.16 53.74 1wgg n GLU 28 Cb 0.78 0.02 0.11 0.00 -0.57 0.00 0.00 31.44 31.78 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 -4.14 1.75 0.25 3.49 0.04 -1.26 -4.75 135.00 130.38 1wgg s PRO 29 Ca 0.42 0.51 0.25 0.00 0.04 0.00 0.00 61.00 62.22 1wgg s PRO 29 Cb -0.03 -1.89 0.90 0.00 0.04 0.00 0.00 34.50 33.51 1wgg s PRO 29 CO 0.26 -1.82 1.75 -1.00 0.04 0.00 0.00 177.00 176.23 1wgg h PRO 30 N -1.23 0.00 0.00 0.56 0.13 -1.82 -3.03 132.00 126.61 1wgg h PRO 30 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1wgg h PRO 30 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wgg h PRO 30 CO 0.60 0.00 -0.21 0.52 -0.23 0.00 0.00 178.00 178.68 1wgg h MET 31 N 0.00 0.00 0.69 0.86 2.86 -1.83 -2.54 114.93 114.97 1wgg h MET 31 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wgg h MET 31 Cb 0.57 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.23 1wgg h MET 31 CO 0.00 0.21 -0.33 0.28 1.06 0.00 0.00 176.91 178.13 1wgg h VAL 32 N 0.00 0.00 -1.05 -2.22 2.07 -1.91 0.24 116.25 113.38 1wgg h VAL 32 Ca -0.00 -0.31 0.30 0.00 0.82 0.00 0.00 66.70 67.51 1wgg h VAL 32 Cb 0.38 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1wgg h VAL 32 CO 0.03 0.00 0.75 0.15 0.02 0.00 0.00 177.57 178.52 1wgg h PHE 33 N -1.23 0.07 0.00 1.57 3.57 -1.69 1.45 116.94 120.68 1wgg h PHE 33 Ca -0.09 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.25 1wgg h PHE 33 Cb 0.71 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1wgg h PHE 33 CO 0.00 0.01 -0.90 0.87 -2.23 0.00 0.00 178.31 176.06 1wgg h LYS 34 N 0.04 0.00 -0.29 1.11 1.57 -1.26 -2.90 116.57 114.84 1wgg h LYS 34 Ca 0.51 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.16 1wgg h LYS 34 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 1wgg h LYS 34 CO -0.03 0.60 -0.36 0.00 -0.57 0.00 0.00 179.45 179.08 1wgg h ALA 35 N 1.31 0.83 -0.02 3.86 0.00 0.54 -2.99 119.26 122.79 1wgg h ALA 35 Ca -0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1wgg h ALA 35 Cb 1.58 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1wgg h ALA 35 CO 0.08 0.64 -0.02 0.37 0.00 0.00 0.00 179.25 180.32 1wgg h GLN 36 N 0.54 0.04 -0.75 0.00 4.15 -1.04 -2.84 115.11 115.21 1wgg h GLN 36 Ca 0.05 -0.02 0.22 0.00 0.77 0.00 0.00 58.65 59.67 1wgg h GLN 36 Cb 0.87 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.53 1wgg h GLN 36 CO 0.08 0.54 0.77 -0.07 -1.93 0.00 0.00 178.83 178.22 1wgg h LEU 37 N -0.46 0.00 -1.27 -2.39 3.38 -1.48 1.09 115.31 114.18 1wgg h LEU 37 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wgg h LEU 37 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1wgg h LEU 37 CO 0.00 0.00 0.28 0.15 0.09 0.00 0.00 178.44 178.96 1wgg h PHE 38 N 0.00 0.77 -0.01 1.13 3.04 -1.35 1.85 116.94 122.37 1wgg h PHE 38 Ca 0.36 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.29 1wgg h PHE 38 Cb 1.89 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1wgg h PHE 38 CO 0.00 0.56 -0.28 0.00 -2.02 0.00 0.00 178.31 176.57 1wgg n ALA 39 N -2.45 3.13 -0.13 2.41 0.00 0.37 -1.57 120.51 122.26 1wgg n ALA 39 Ca 0.05 -0.47 -0.25 0.00 0.00 0.00 0.00 53.44 52.77 1wgg n ALA 39 Cb 0.12 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1wgg n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgg n LEU 40 N -0.38 2.35 -0.08 0.00 4.77 -0.24 -4.82 117.00 118.60 1wgg n LEU 40 Ca 0.12 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1wgg n LEU 40 Cb 0.38 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 1wgg n LEU 40 CO 0.25 0.71 -0.80 0.35 -1.33 0.00 0.00 177.39 176.57 1wgg n THR 41 N -3.87 1.32 0.00 -5.08 -2.24 0.61 -5.05 114.28 99.97 1wgg n THR 41 Ca -0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1wgg n THR 41 Cb 0.92 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 1.85 0.97 3.76 3.38 0.00 -0.61 -5.01 105.19 109.53 1wgg n GLY 42 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.71 2.89 0.95 1.61 1.01 -1.26 -4.87 120.40 120.02 1wgg s VAL 43 Ca 0.00 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1wgg s VAL 43 Cb 0.00 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1wgg s VAL 43 CO 0.00 0.16 0.59 0.00 0.00 0.00 0.00 175.10 175.86 1wgg n GLN 44 N 1.62 -0.43 0.00 2.72 3.00 -1.26 -4.18 117.38 118.85 1wgg n GLN 44 Ca 0.03 -0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.06 1wgg n GLN 44 Cb 0.42 -1.99 0.71 0.00 0.00 0.00 0.00 30.24 29.38 1wgg n GLN 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1wgg n PRO 45 N -2.44 0.75 -0.14 -1.09 -0.04 -1.26 -0.67 135.00 130.12 1wgg n PRO 45 Ca 0.08 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.26 1wgg n PRO 45 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1wgg n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wgg n ALA 46 N -1.00 1.26 0.18 0.55 0.00 -1.26 -4.44 120.51 115.80 1wgg n ALA 46 Ca 0.18 -1.10 0.06 0.00 0.00 0.00 0.00 53.44 52.58 1wgg n ALA 46 Cb 0.08 0.10 0.20 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.81 0.00 -5.63 0.00 3.08 -1.89 -3.42 114.38 105.70 1wgg h ARG 47 Ca -0.68 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.12 1wgg h ARG 47 Cb 1.66 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.68 1wgg h ARG 47 CO -0.36 0.35 0.70 -0.65 -1.07 0.00 0.00 179.97 178.93 1wgg s GLN 48 N -3.24 2.23 -0.82 0.04 -0.21 0.16 -4.68 119.66 113.13 1wgg s GLN 48 Ca 0.03 0.24 -0.25 0.00 0.02 0.00 0.00 55.36 55.40 1wgg s GLN 48 Cb 0.08 -4.83 -0.05 0.00 1.00 0.00 0.00 33.01 29.21 1wgg s GLN 48 CO 0.70 -3.60 1.97 0.21 -2.12 0.00 0.00 175.29 172.44 1wgg s LYS 49 N 7.71 2.50 -0.67 2.91 2.20 -1.05 -4.85 119.74 128.49 1wgg s LYS 49 Ca 0.79 0.00 -0.24 0.00 -0.36 0.00 0.00 55.97 56.16 1wgg s LYS 49 Cb -0.10 -4.88 0.05 0.00 -1.51 0.00 0.00 37.83 31.39 1wgg s LYS 49 CO 0.08 -3.30 1.07 0.08 -0.36 0.00 0.00 175.35 172.91 1wgg s VAL 50 N 10.21 4.13 0.85 4.02 1.01 -1.26 -2.90 120.40 136.46 1wgg s VAL 50 Ca 0.71 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.58 1wgg s VAL 50 Cb -0.09 -4.74 0.10 0.00 0.00 0.00 0.00 36.38 31.66 1wgg s VAL 50 CO 0.05 -1.53 1.17 -0.04 0.00 0.00 0.00 175.10 174.75 1wgg s MET 51 N 4.60 1.63 0.07 2.72 -1.94 0.17 -2.28 119.30 124.27 1wgg s MET 51 Ca 0.28 0.17 0.01 0.00 -1.71 0.00 0.00 55.69 54.44 1wgg s MET 51 Cb -0.13 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 1wgg s MET 51 CO 0.13 -1.84 -0.06 0.08 -0.01 0.00 0.00 175.02 173.33 1wgg s VAL 52 N -3.47 0.49 0.14 -6.03 1.01 0.49 -4.25 120.40 108.77 1wgg s VAL 52 Ca 0.63 -1.60 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1wgg s VAL 52 Cb -0.12 -1.24 0.21 0.00 0.00 0.00 0.00 36.38 35.23 1wgg s VAL 52 CO 0.51 -0.75 0.74 0.29 0.00 0.00 0.00 175.10 175.89 1wgg n LYS 53 N 0.52 -0.04 -2.69 2.72 4.76 -1.26 -2.04 118.16 120.13 1wgg n LYS 53 Ca -0.16 0.73 -0.07 0.00 -2.87 0.00 0.00 58.31 55.94 1wgg n LYS 53 Cb 0.59 -1.11 0.08 0.00 -1.84 0.00 0.00 35.03 32.75 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 1.49 0.00 0.72 0.00 -1.26 -5.12 105.19 99.73 1wgg n GLY 54 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.49 -1.12 3.22 -0.02 0.00 -0.86 -5.16 105.19 100.74 1wgg n GLY 55 Ca 0.01 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 1.53 0.17 2.61 2.01 -1.26 0.18 115.64 117.88 1wgg s THR 56 Ca 0.00 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 1wgg s THR 56 Cb 0.00 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.10 1wgg s THR 56 CO 0.00 0.22 1.28 -0.76 -0.69 0.00 0.00 174.62 174.68 1wgg s LEU 57 N -1.00 4.41 0.00 4.42 1.43 -0.97 -4.91 118.68 122.06 1wgg s LEU 57 Ca 0.06 2.31 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1wgg s LEU 57 Cb -0.08 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.71 1wgg s LEU 57 CO 0.01 -0.50 0.71 0.29 0.23 0.00 0.00 176.35 177.09 1wgg n LYS 58 N 2.92 -1.89 0.00 1.70 5.02 -1.26 -4.93 118.16 119.72 1wgg n LYS 58 Ca 0.07 -1.13 0.00 0.00 -2.02 0.00 0.00 58.31 55.23 1wgg n LYS 58 Cb 0.43 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1wgg n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wgg n ASP 59 N -3.97 1.55 0.21 4.39 2.03 -1.26 -4.62 116.55 114.89 1wgg n ASP 59 Ca 0.10 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.26 1wgg n ASP 59 Cb 0.36 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.68 1wgg n ASP 59 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1wgg h ASP 60 N 0.00 -0.43 -4.76 1.67 3.58 -1.99 -3.36 116.42 111.13 1wgg h ASP 60 Ca 0.00 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.43 1wgg h ASP 60 Cb 0.76 0.11 -0.17 0.00 1.72 0.00 0.00 39.33 41.76 1wgg h ASP 60 CO 0.00 -0.23 0.33 -1.81 -2.88 0.00 0.00 179.24 174.66 1wgg s ASP 61 N -4.82 -0.51 0.05 2.28 1.01 -1.26 -4.73 116.67 108.69 1wgg s ASP 61 Ca -0.15 0.26 -0.33 0.00 0.71 0.00 0.00 52.55 53.03 1wgg s ASP 61 Cb 0.04 0.48 -0.19 0.00 1.01 0.00 0.00 42.92 44.26 1wgg s ASP 61 CO 0.61 -0.68 1.51 -0.50 0.21 0.00 0.00 175.17 176.32 1wgg h TRP 62 N 2.36 -0.98 -1.23 4.23 4.06 -1.90 -3.42 115.95 119.07 1wgg h TRP 62 Ca -0.26 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1wgg h TRP 62 Cb 1.22 0.32 0.00 0.00 -1.00 0.00 0.00 29.16 29.71 1wgg h TRP 62 CO 0.29 -0.60 0.00 0.41 -3.56 0.00 0.00 178.44 174.98 1wgg n GLY 63 N -1.37 0.58 3.02 1.49 0.00 -1.26 -4.54 105.19 103.11 1wgg n GLY 63 Ca -0.14 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.28 -7.54 -4.85 1.61 3.02 -1.26 -4.99 115.26 100.97 1wgg n ASN 64 Ca 0.00 0.22 -0.35 0.00 -0.03 0.00 0.00 54.58 54.42 1wgg n ASN 64 Cb 0.35 -4.85 -0.06 0.00 -0.61 0.00 0.00 39.78 34.61 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 -2.64 5.25 -1.24 2.41 1.01 -1.26 -5.01 121.20 119.72 1wgg s ILE 65 Ca 0.18 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 1wgg s ILE 65 Cb -0.04 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.10 1wgg s ILE 65 CO 0.78 0.50 1.80 -0.54 0.00 0.00 0.00 174.94 177.48 1wgg s LYS 66 N -1.37 3.41 0.23 2.79 3.01 -1.26 -4.94 119.74 121.60 1wgg s LYS 66 Ca 0.19 -1.63 -0.13 0.00 -1.01 0.00 0.00 55.97 53.40 1wgg s LYS 66 Cb -0.12 -5.42 -0.08 0.00 -1.01 0.00 0.00 37.83 31.21 1wgg s LYS 66 CO 0.09 -2.90 0.60 -1.64 0.51 0.00 0.00 175.35 172.02 1wgg s MET 67 N 5.12 3.93 0.05 1.68 -1.94 -1.26 -5.09 119.30 121.79 1wgg s MET 67 Ca 0.59 0.47 0.03 0.00 -1.71 0.00 0.00 55.69 55.07 1wgg s MET 67 Cb 0.02 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 1wgg s MET 67 CO 0.09 0.33 -0.09 0.15 -0.01 0.00 0.00 175.02 175.49 1wgg s LYS 68 N -2.55 0.59 -0.54 2.03 1.02 -1.26 -5.11 119.74 113.93 1wgg s LYS 68 Ca 0.46 -0.79 -0.20 0.00 0.02 0.00 0.00 55.97 55.47 1wgg s LYS 68 Cb -0.12 -0.41 0.07 0.00 -0.52 0.00 0.00 37.83 36.84 1wgg s LYS 68 CO 0.20 0.08 0.69 -0.80 -0.92 0.00 0.00 175.35 174.60 1wgg s ASN 69 N -1.57 6.22 0.00 2.83 0.01 -1.26 -3.79 114.94 117.39 1wgg s ASN 69 Ca -0.08 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.09 1wgg s ASN 69 Cb -0.10 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1wgg s ASN 69 CO 0.01 -1.00 0.00 0.61 -1.51 0.00 0.00 177.10 175.21 1wgg n GLY 70 N 5.20 1.26 1.43 0.66 0.00 0.36 -4.86 105.19 109.24 1wgg n GLY 70 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.13 -4.46 1.61 0.00 -1.25 -4.68 117.12 107.22 1wgg n MET 71 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 57.70 57.08 1wgg n MET 71 Cb 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 33.22 32.34 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 -1.28 0.89 -0.21 3.17 2.01 -1.26 -2.46 115.64 116.49 1wgg s THR 72 Ca 0.19 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 1wgg s THR 72 Cb -0.03 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1wgg s THR 72 CO 0.16 0.28 0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 1wgg s VAL 73 N 0.24 4.39 -0.24 3.82 1.01 0.57 -4.77 120.40 125.43 1wgg s VAL 73 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1wgg s VAL 73 Cb -0.10 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1wgg s VAL 73 CO 0.01 0.40 0.33 -0.22 0.00 0.00 0.00 175.10 175.62 1wgg s LEU 74 N 1.03 4.10 0.10 3.92 1.98 -1.26 -0.38 118.68 128.17 1wgg s LEU 74 Ca 0.03 0.33 0.10 0.00 -2.89 0.00 0.00 54.13 51.70 1wgg s LEU 74 Cb -0.14 -2.38 -0.04 0.00 0.66 0.00 0.00 46.19 44.30 1wgg s LEU 74 CO 0.03 -0.08 -0.25 -0.32 -1.89 0.00 0.00 176.35 173.84 1wgg s MET 75 N 1.51 1.61 0.02 1.98 -2.45 -0.28 -0.65 119.30 121.04 1wgg s MET 75 Ca 0.15 -1.24 0.03 0.00 -1.25 0.00 0.00 55.69 53.38 1wgg s MET 75 Cb -0.15 -1.97 -0.01 0.00 1.25 0.00 0.00 34.83 33.94 1wgg s MET 75 CO 0.08 0.48 -0.08 -1.64 1.05 0.00 0.00 175.02 174.90 1wgg s MET 76 N -1.81 0.60 0.00 4.11 -1.94 -1.14 -4.24 119.30 114.87 1wgg s MET 76 Ca 0.14 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1wgg s MET 76 Cb -0.10 -0.52 0.00 0.00 2.01 0.00 0.00 34.83 36.22 1wgg s MET 76 CO 0.05 0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.60 1wgg n GLY 77 N 2.25 -0.10 2.11 -0.03 0.00 -1.26 -2.53 105.19 105.62 1wgg n GLY 77 Ca -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.65 -2.05 0.00 1.61 2.88 -1.26 -5.01 113.62 110.44 1wgg n SER 78 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wgg n SER 78 Cb 0.00 2.07 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 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 -3.11 0.00 -2.26 -1.46 0.00 -1.26 -4.63 120.51 107.79 1wgg n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgg n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -8.56 -3.54 0.00 2.03 -1.26 -5.00 116.55 100.23 1wgg n ASP 80 Ca 0.00 1.70 -0.14 0.00 0.52 0.00 0.00 54.79 56.87 1wgg n ASP 80 Cb 0.00 -4.87 -0.05 0.00 -0.72 0.00 0.00 41.12 35.49 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 -0.53 -1.44 0.30 -1.67 0.00 -1.26 -5.15 121.76 112.01 1wgg s ALA 81 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1wgg s ALA 81 Cb 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1wgg s ALA 81 CO 0.00 -0.54 0.43 -0.51 0.00 0.00 0.00 175.76 175.14 1wgg s LEU 82 N -2.03 4.11 0.48 0.00 1.02 -1.26 -5.09 118.68 115.91 1wgg s LEU 82 Ca -0.05 -0.08 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 1wgg s LEU 82 Cb -0.01 -2.80 -0.09 0.00 0.02 0.00 0.00 46.19 43.32 1wgg s LEU 82 CO -0.03 -0.29 1.04 -2.16 0.02 0.00 0.00 176.35 174.93 1wgg s PRO 83 N -4.10 3.81 -0.26 1.29 0.04 -1.26 -4.45 135.00 130.08 1wgg s PRO 83 Ca 0.41 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1wgg s PRO 83 Cb -0.09 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wgg s PRO 83 CO 0.30 -0.42 0.36 -1.91 0.04 0.00 0.00 177.00 175.37 1wgg n GLU 84 N -0.95 -1.42 -3.89 4.56 0.00 -1.26 -5.08 120.64 112.59 1wgg n GLU 84 Ca 0.09 1.47 -0.11 0.00 0.00 0.00 0.00 57.16 58.61 1wgg n GLU 84 Cb 0.53 -3.99 -0.10 0.00 0.00 0.00 0.00 31.44 27.87 1wgg n GLU 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1wgg s GLU 85 N -1.95 0.41 0.09 5.31 -1.05 -1.26 -5.14 118.70 115.11 1wgg s GLU 85 Ca 0.15 -0.38 -0.30 0.00 -0.15 0.00 0.00 54.97 54.28 1wgg s GLU 85 Cb -0.04 0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 33.75 1wgg s GLU 85 CO 0.46 -0.09 1.15 -1.25 0.95 0.00 0.00 175.26 176.48 1wgg s PRO 86 N -1.24 4.49 0.00 -4.83 0.04 -1.26 -4.90 135.00 127.30 1wgg s PRO 86 Ca -0.13 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1wgg s PRO 86 Cb -0.07 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1wgg s PRO 86 CO 0.01 -0.14 0.00 0.45 0.04 0.00 0.00 177.00 177.35 1wgg n SER 87 N 3.46 2.86 -1.17 6.66 2.88 -1.26 -5.14 113.62 121.91 1wgg n SER 87 Ca 0.07 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.75 1wgg n SER 87 Cb 0.47 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.88 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 -2.40 -3.32 -2.55 -1.46 0.00 -1.26 -5.00 120.51 104.51 1wgg n ALA 88 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 1wgg n ALA 88 Cb 0.41 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.90 1.48 0.07 0.00 2.20 -1.26 -5.15 119.74 114.17 1wgg s LYS 89 Ca 0.00 -1.62 -0.07 0.00 -0.36 0.00 0.00 55.97 53.92 1wgg s LYS 89 Cb 0.00 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 1wgg s LYS 89 CO 0.00 -0.55 0.13 -0.08 -0.36 0.00 0.00 175.35 174.49 1wgg s THR 90 N -3.84 0.15 0.34 3.43 -1.32 -1.26 -5.09 115.64 108.04 1wgg s THR 90 Ca 0.34 -1.24 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1wgg s THR 90 Cb 0.03 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1wgg s THR 90 CO 0.15 -0.68 0.00 -0.24 -2.21 0.00 0.00 174.62 171.64 1wgg n SER 91 N 0.21 -9.01 -3.21 8.08 2.88 -1.26 -4.97 113.62 106.34 1wgg n SER 91 Ca -0.16 1.28 -0.21 0.00 -1.33 0.00 0.00 58.87 58.45 1wgg n SER 91 Cb 0.61 -4.75 0.19 0.00 -0.75 0.00 0.00 64.21 59.51 1wgg n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgg n GLY 92 N 0.66 -3.18 0.10 0.46 0.00 -1.26 -4.99 105.19 96.98 1wgg n GLY 92 Ca 0.00 -1.39 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.12 -3.14 1.61 0.13 -2.05 -3.50 132.00 124.93 1wgg h PRO 93 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1wgg h PRO 93 Cb 0.90 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1wgg h PRO 93 CO 0.18 0.41 -0.75 0.45 -0.23 0.00 0.00 178.00 178.06 1wgg n SER 94 N -4.83 -7.56 -4.29 1.44 2.88 -1.26 -5.02 113.62 94.98 1wgg n SER 94 Ca -0.07 1.04 -0.28 0.00 -1.33 0.00 0.00 58.87 58.23 1wgg n SER 94 Cb 0.29 -3.79 -0.14 0.00 -0.75 0.00 0.00 64.21 59.81 1wgg n SER 94 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgg s SER 95 N -2.56 2.79 0.00 -3.46 0.15 -1.26 -5.28 113.70 104.07 1wgg s SER 95 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1wgg s SER 95 Cb 0.00 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1wgg s SER 95 CO 0.00 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.26