#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n THR 6 N 0.00 0.09 -0.27 3.45 -2.24 -1.26 -4.28 114.28 109.77 2wdg n THR 6 Ca 0.00 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 2wdg n THR 6 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 2wdg n THR 6 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2wdg h ILE 7 N 0.16 0.15 -0.91 2.28 1.08 -2.06 0.46 117.51 118.68 2wdg h ILE 7 Ca -0.03 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.65 2wdg h ILE 7 Cb 0.12 0.15 -0.12 0.00 -3.07 0.00 0.00 36.82 33.91 2wdg h ILE 7 CO 0.05 0.00 0.44 -1.13 -0.69 0.00 0.00 178.15 176.82 2wdg h ASN 8 N -0.06 0.43 -0.33 1.72 -0.00 -2.00 0.79 115.58 116.14 2wdg h ASN 8 Ca 0.32 0.14 0.04 0.00 -0.00 0.00 0.00 56.30 56.80 2wdg h ASN 8 Cb 0.58 0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.95 2wdg h ASN 8 CO -0.80 0.06 0.09 1.56 -0.00 0.00 0.00 177.43 178.34 2wdg h GLN 9 N 0.47 0.22 -0.72 6.67 4.20 -0.33 -1.82 115.11 123.80 2wdg h GLN 9 Ca 0.56 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.25 2wdg h GLN 9 Cb 1.01 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 2wdg h GLN 9 CO -0.49 0.14 0.44 -0.07 -0.67 0.00 0.00 178.83 178.18 2wdg h LEU 10 N 0.22 0.85 -1.98 1.46 3.38 -0.56 0.29 115.31 118.98 2wdg h LEU 10 Ca 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wdg h LEU 10 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2wdg h LEU 10 CO -0.17 0.65 -0.11 0.58 0.09 0.00 0.00 178.44 179.49 2wdg h VAL 11 N 0.98 0.69 0.00 1.22 2.07 -0.62 -0.47 116.25 120.11 2wdg h VAL 11 Ca 0.26 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2wdg h VAL 11 Cb -0.05 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2wdg h VAL 11 CO -0.05 0.10 -0.19 0.03 0.02 0.00 0.00 177.57 177.48 2wdg h ARG 12 N 0.00 0.00 0.00 1.57 3.08 0.02 -3.45 114.38 115.60 2wdg h ARG 12 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wdg h ARG 12 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2wdg h ARG 12 CO 0.01 0.00 -0.10 0.87 -1.07 0.00 0.00 179.97 179.69 2wdg h LYS 13 N -0.64 0.00 0.00 0.04 6.56 -0.59 -3.52 116.57 118.43 2wdg h LYS 13 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2wdg h LYS 13 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2wdg h LYS 13 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2wdg n GLY 14 N 1.80 0.26 3.84 3.86 0.00 -0.19 -4.99 105.19 109.78 2wdg n GLY 14 Ca -0.01 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 2wdg n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdg s ARG 15 N -1.94 3.25 -0.22 1.61 1.81 -1.26 -4.97 118.95 117.23 2wdg s ARG 15 Ca 0.00 0.87 -0.06 0.00 -1.72 0.00 0.00 55.73 54.82 2wdg s ARG 15 Cb 0.00 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.44 2wdg s ARG 15 CO 0.00 -0.85 0.04 -2.00 -0.68 0.00 0.00 175.30 171.80 2wdg s GLU 16 N -5.07 3.66 -0.08 3.54 2.12 -1.26 -5.06 118.70 116.55 2wdg s GLU 16 Ca 0.57 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.12 2wdg s GLU 16 Cb -0.13 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 2wdg s GLU 16 CO 0.54 -0.06 1.75 0.21 -0.54 0.00 0.00 175.26 177.15 2wdg s LYS 17 N 1.23 4.01 0.00 4.30 2.36 -1.26 -4.93 119.74 125.45 2wdg s LYS 17 Ca 0.04 2.15 0.00 0.00 -2.55 0.00 0.00 55.97 55.61 2wdg s LYS 17 Cb -0.15 -4.06 0.00 0.00 -1.05 0.00 0.00 37.83 32.58 2wdg s LYS 17 CO 0.02 -1.06 0.36 1.33 1.55 0.00 0.00 175.35 177.55 2wdg n VAL 18 N 5.86 0.00 -0.57 4.02 0.24 -1.26 -5.00 118.33 121.61 2wdg n VAL 18 Ca 0.19 0.67 0.00 0.00 -2.04 0.00 0.00 64.34 63.16 2wdg n VAL 18 Cb 0.43 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 2wdg n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2wdg n ARG 19 N -1.07 0.00 -4.20 7.34 0.63 -1.26 -5.06 116.66 113.04 2wdg n ARG 19 Ca 0.00 0.44 -0.35 0.00 -0.92 0.00 0.00 57.85 57.02 2wdg n ARG 19 Cb 0.00 -0.13 -0.08 0.00 0.45 0.00 0.00 32.46 32.70 2wdg n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2wdg s LYS 20 N -2.67 3.13 -0.02 -0.14 -2.85 -1.26 -5.10 119.74 110.82 2wdg s LYS 20 Ca 0.00 -0.33 -0.26 0.00 -1.00 0.00 0.00 55.97 54.38 2wdg s LYS 20 Cb 0.00 -2.92 -0.04 0.00 -2.06 0.00 0.00 37.83 32.81 2wdg s LYS 20 CO 0.00 0.72 0.81 0.15 0.10 0.00 0.00 175.35 177.13 2wdg s LYS 21 N -1.01 4.49 -0.41 1.78 3.01 -1.26 -5.00 119.74 121.34 2wdg s LYS 21 Ca 0.15 1.10 -0.28 0.00 -1.01 0.00 0.00 55.97 55.93 2wdg s LYS 21 Cb -0.12 -3.44 -0.01 0.00 -1.01 0.00 0.00 37.83 33.25 2wdg s LYS 21 CO 0.04 0.07 1.75 0.45 0.51 0.00 0.00 175.35 178.17 2wdg s SER 22 N 0.71 5.81 0.00 2.83 0.15 -1.26 -4.83 113.70 117.11 2wdg s SER 22 Ca 0.43 0.99 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2wdg s SER 22 Cb -0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2wdg s SER 22 CO 0.22 -1.83 0.51 1.17 1.20 0.00 0.00 173.24 174.51 2wdg n LYS 23 N 8.56 0.00 -3.15 5.44 4.81 -1.26 -4.23 118.16 128.33 2wdg n LYS 23 Ca 0.21 0.13 0.05 0.00 -0.87 0.00 0.00 58.31 57.83 2wdg n LYS 23 Cb 0.48 -1.61 -0.01 0.00 0.02 0.00 0.00 35.03 33.91 2wdg n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2wdg s VAL 24 N -2.02 -0.50 -1.29 3.15 1.01 -1.26 -5.04 120.40 114.45 2wdg s VAL 24 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2wdg s VAL 24 Cb 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 36.38 35.64 2wdg s VAL 24 CO 0.00 0.00 1.76 -0.81 0.00 0.00 0.00 175.10 176.05 2wdg n PRO 25 N 5.40 3.33 -0.05 2.72 -0.04 -1.26 -4.59 135.00 140.51 2wdg n PRO 25 Ca -0.02 -3.44 0.05 0.00 -0.04 0.00 0.00 63.50 60.05 2wdg n PRO 25 Cb 0.54 -3.14 0.21 0.00 -0.04 0.00 0.00 33.50 31.07 2wdg n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdg n ALA 26 N 5.71 2.52 -1.28 0.55 0.00 -1.26 -4.98 120.51 121.76 2wdg n ALA 26 Ca 0.43 -0.23 0.17 0.00 0.00 0.00 0.00 53.44 53.81 2wdg n ALA 26 Cb 0.41 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 2wdg n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdg n LEU 27 N -0.24 -0.67 -1.56 0.00 7.99 -1.26 -4.49 117.00 116.77 2wdg n LEU 27 Ca 0.08 1.50 0.00 0.00 -0.01 0.00 0.00 56.01 57.58 2wdg n LEU 27 Cb 0.12 -3.95 0.00 0.00 -0.11 0.00 0.00 43.42 39.48 2wdg n LEU 27 CO 0.06 -3.21 0.00 0.29 -1.51 0.00 0.00 177.39 173.01 2wdg n LYS 28 N -3.94 -2.00 -3.02 3.23 5.02 -1.26 0.46 118.16 116.65 2wdg n LYS 28 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2wdg n LYS 28 Cb 0.59 -2.63 -0.02 0.00 -0.02 0.00 0.00 35.03 32.95 2wdg n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdg n GLY 29 N -0.26 -0.48 3.77 0.72 0.00 -1.26 -4.83 105.19 102.85 2wdg n GLY 29 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2wdg n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdg s ALA 30 N -2.42 3.25 0.27 4.61 0.00 0.17 -4.96 121.76 122.68 2wdg s ALA 30 Ca 0.22 0.65 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2wdg s ALA 30 Cb -0.13 -3.23 0.34 0.00 0.00 0.00 0.00 23.12 20.10 2wdg s ALA 30 CO 0.27 0.05 1.91 -1.35 0.00 0.00 0.00 175.76 176.63 2wdg h PRO 31 N 3.39 1.15 -4.13 0.00 0.11 -1.89 -3.45 132.00 127.19 2wdg h PRO 31 Ca -0.47 -0.11 -0.17 0.00 0.11 0.00 0.00 66.00 65.36 2wdg h PRO 31 Cb 1.20 -0.24 -0.11 0.00 0.11 0.00 0.00 31.00 31.96 2wdg h PRO 31 CO 0.66 0.81 -0.34 -0.06 -0.21 0.00 0.00 178.00 178.86 2wdg s PHE 32 N -5.83 0.82 -0.18 0.65 0.08 -1.26 -4.79 117.98 107.46 2wdg s PHE 32 Ca -0.12 -1.09 -0.11 0.00 0.12 0.00 0.00 56.93 55.73 2wdg s PHE 32 Cb 0.17 -0.17 0.06 0.00 -0.57 0.00 0.00 43.02 42.50 2wdg s PHE 32 CO 0.81 -0.87 0.44 0.50 -0.10 0.00 0.00 175.22 176.00 2wdg s ARG 33 N -3.93 0.45 0.07 0.44 6.06 -1.12 -4.97 118.95 115.94 2wdg s ARG 33 Ca 0.31 0.78 -0.19 0.00 -2.50 0.00 0.00 55.73 54.13 2wdg s ARG 33 Cb 0.03 0.05 -0.07 0.00 0.06 0.00 0.00 34.95 35.02 2wdg s ARG 33 CO 0.12 -0.13 0.55 0.50 -2.50 0.00 0.00 175.30 173.84 2wdg s ARG 34 N 1.14 4.17 0.26 5.12 3.52 -1.26 -0.94 118.95 130.96 2wdg s ARG 34 Ca -0.07 0.71 -0.01 0.00 -0.13 0.00 0.00 55.73 56.23 2wdg s ARG 34 Cb -0.07 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 2wdg s ARG 34 CO -0.10 0.64 0.36 0.41 -0.81 0.00 0.00 175.30 175.80 2wdg n GLY 35 N 1.72 2.41 3.31 8.12 0.00 -0.45 -1.68 105.19 118.61 2wdg n GLY 35 Ca -0.11 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 2wdg n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdg s VAL 36 N -2.74 1.94 0.23 1.61 1.01 0.13 -1.31 120.40 121.28 2wdg s VAL 36 Ca 0.22 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 2wdg s VAL 36 Cb -0.01 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 2wdg s VAL 36 CO 0.16 0.30 1.11 0.00 0.00 0.00 0.00 175.10 176.66 2wdg n THR 38 N 1.82 0.08 -3.69 0.00 -2.24 0.59 -3.27 114.28 107.56 2wdg n THR 38 Ca 0.01 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 2wdg n THR 38 Cb 0.45 -0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 2wdg n THR 38 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wdg s VAL 39 N -2.08 -0.17 -0.55 2.28 1.01 -1.18 -4.88 120.40 114.83 2wdg s VAL 39 Ca -0.01 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2wdg s VAL 39 Cb 0.01 -0.54 0.14 0.00 0.00 0.00 0.00 36.38 35.98 2wdg s VAL 39 CO 0.08 0.06 0.30 -0.69 0.00 0.00 0.00 175.10 174.84 2wdg s VAL 40 N 1.68 2.63 0.00 2.92 1.01 -1.26 0.70 120.40 128.08 2wdg s VAL 40 Ca -0.07 -3.48 0.00 0.00 0.00 0.00 0.00 61.98 58.43 2wdg s VAL 40 Cb -0.10 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2wdg s VAL 40 CO -0.11 -0.83 0.00 -1.14 0.00 0.00 0.00 175.10 173.01 2wdg n ARG 41 N 2.92 1.89 -3.42 2.72 0.63 -0.64 -4.99 116.66 115.77 2wdg n ARG 41 Ca 0.07 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.82 2wdg n ARG 41 Cb 0.32 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.13 2wdg n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2wdg s THR 42 N 1.36 -0.36 0.35 5.15 -1.32 -1.26 -2.93 115.64 116.62 2wdg s THR 42 Ca 0.00 -0.48 0.02 0.00 -1.21 0.00 0.00 61.69 60.01 2wdg s THR 42 Cb 0.00 -0.96 0.07 0.00 -1.51 0.00 0.00 72.50 70.10 2wdg s THR 42 CO 0.00 -0.47 0.48 1.33 -2.21 0.00 0.00 174.62 173.74 2wdg n VAL 43 N 5.31 0.00 -4.60 5.08 0.24 -0.74 -4.91 118.33 118.72 2wdg n VAL 43 Ca -0.03 -0.86 -0.26 0.00 -2.04 0.00 0.00 64.34 61.15 2wdg n VAL 43 Cb 0.46 -1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 31.68 2wdg n VAL 43 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wdg s THR 44 N -1.25 1.82 0.93 3.34 -4.23 -1.26 -2.35 115.64 112.64 2wdg s THR 44 Ca 0.33 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.37 2wdg s THR 44 Cb -0.02 -1.59 0.15 0.00 1.34 0.00 0.00 72.50 72.38 2wdg s THR 44 CO 0.21 0.17 1.10 -2.16 -0.54 0.00 0.00 174.62 173.41 2wdg s PRO 45 N -1.42 0.94 0.00 3.99 0.04 -1.26 -4.89 135.00 132.41 2wdg s PRO 45 Ca 0.09 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2wdg s PRO 45 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2wdg s PRO 45 CO 0.03 -2.56 0.00 1.17 0.04 0.00 0.00 177.00 175.67 2wdg n LYS 46 N -4.15 0.00 0.00 4.56 4.81 -0.40 -4.84 118.16 118.14 2wdg n LYS 46 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2wdg n LYS 46 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2wdg n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2wdg n LYS 47 N 0.00 0.04 -0.13 1.64 4.81 -1.26 -3.54 118.16 119.72 2wdg n LYS 47 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 2wdg n LYS 47 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 2wdg n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wdg n PRO 48 N 0.00 1.06 -4.25 1.64 -0.04 -1.26 -4.86 135.00 127.29 2wdg n PRO 48 Ca 0.00 -0.14 -0.23 0.00 -0.04 0.00 0.00 63.50 63.09 2wdg n PRO 48 Cb 0.00 -1.06 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 2wdg n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wdg s ASN 49 N 1.03 4.61 -0.21 3.54 0.02 -1.23 -5.11 114.94 117.59 2wdg s ASN 49 Ca 0.03 -0.67 -0.04 0.00 -1.02 0.00 0.00 52.86 51.16 2wdg s ASN 49 Cb 0.02 -0.84 0.10 0.00 0.02 0.00 0.00 41.25 40.55 2wdg s ASN 49 CO 0.00 -0.08 0.24 -0.55 0.02 0.00 0.00 177.10 176.73 2wdg s SER 50 N -3.72 1.28 0.00 -1.22 0.15 -1.26 -4.61 113.70 104.32 2wdg s SER 50 Ca 0.33 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2wdg s SER 50 Cb -0.05 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2wdg s SER 50 CO 0.21 -0.32 0.00 0.00 1.20 0.00 0.00 173.24 174.32 2wdg n ALA 51 N 5.32 0.00 -2.67 5.45 0.00 -1.26 -4.99 120.51 122.36 2wdg n ALA 51 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.22 2wdg n ALA 51 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 2wdg n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdg n LEU 52 N 0.00 2.59 -4.45 0.00 7.99 -1.26 -4.32 117.00 117.56 2wdg n LEU 52 Ca 0.00 -4.42 -0.52 0.00 -0.01 0.00 0.00 56.01 51.07 2wdg n LEU 52 Cb 0.00 0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.38 2wdg n LEU 52 CO 0.00 1.89 0.25 0.54 -1.51 0.00 0.00 177.39 178.55 2wdg n ARG 53 N -0.17 0.11 -3.14 3.23 3.00 -0.99 -4.53 116.66 114.16 2wdg n ARG 53 Ca 0.21 0.04 -0.42 0.00 -0.01 0.00 0.00 57.85 57.68 2wdg n ARG 53 Cb 0.73 -1.25 -0.07 0.00 0.00 0.00 0.00 32.46 31.87 2wdg n ARG 53 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wdg s LYS 54 N -0.64 3.69 0.30 5.56 3.01 -1.26 -1.78 119.74 128.61 2wdg s LYS 54 Ca 0.74 0.03 0.09 0.00 -1.01 0.00 0.00 55.97 55.81 2wdg s LYS 54 Cb -1.03 -3.80 -0.06 0.00 -1.01 0.00 0.00 37.83 31.93 2wdg s LYS 54 CO 0.56 -0.69 -0.12 0.08 0.51 0.00 0.00 175.35 175.69 2wdg s VAL 55 N 2.62 2.11 -0.14 3.17 1.01 -1.15 -1.23 120.40 126.79 2wdg s VAL 55 Ca 0.23 -2.24 -0.08 0.00 0.00 0.00 0.00 61.98 59.89 2wdg s VAL 55 Cb -0.15 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.84 2wdg s VAL 55 CO 0.14 -0.32 0.33 0.00 0.00 0.00 0.00 175.10 175.26 2wdg s ALA 56 N -2.72 -0.82 -0.17 5.51 0.00 -0.52 -1.62 121.76 121.42 2wdg s ALA 56 Ca 0.30 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 2wdg s ALA 56 Cb 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 2wdg s ALA 56 CO 0.14 -0.22 1.05 0.15 0.00 0.00 0.00 175.76 176.88 2wdg s LYS 57 N 1.18 4.33 -0.14 0.00 1.02 0.22 -1.02 119.74 125.33 2wdg s LYS 57 Ca -0.08 1.41 0.02 0.00 0.02 0.00 0.00 55.97 57.34 2wdg s LYS 57 Cb -0.08 -3.61 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2wdg s LYS 57 CO -0.09 -0.50 -0.19 0.08 -0.92 0.00 0.00 175.35 173.72 2wdg s VAL 58 N 2.70 1.86 -0.27 3.17 1.01 0.17 -0.30 120.40 128.74 2wdg s VAL 58 Ca 0.47 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2wdg s VAL 58 Cb -0.17 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2wdg s VAL 58 CO 0.12 0.51 0.89 -0.60 0.00 0.00 0.00 175.10 176.02 2wdg s ARG 59 N 0.99 4.13 0.59 2.72 3.52 0.16 -0.88 118.95 130.16 2wdg s ARG 59 Ca -0.04 0.94 -0.05 0.00 -0.13 0.00 0.00 55.73 56.45 2wdg s ARG 59 Cb -0.15 -3.68 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 2wdg s ARG 59 CO -0.04 -0.63 0.88 -0.51 -0.81 0.00 0.00 175.30 174.19 2wdg s LEU 60 N 3.04 3.23 -1.49 -0.88 2.01 -1.16 0.22 118.68 123.65 2wdg s LEU 60 Ca 0.37 0.57 -0.09 0.00 0.01 0.00 0.00 54.13 54.99 2wdg s LEU 60 Cb -0.14 -3.38 -0.06 0.00 0.01 0.00 0.00 46.19 42.61 2wdg s LEU 60 CO 0.09 -1.10 2.90 0.35 1.01 0.00 0.00 176.35 179.60 2wdg n THR 61 N -2.55 4.42 -2.34 5.49 -2.24 -0.68 -3.09 114.28 113.29 2wdg n THR 61 Ca 0.05 -2.83 -0.02 0.00 -2.27 0.00 0.00 64.05 58.97 2wdg n THR 61 Cb 0.58 -2.49 0.04 0.00 -2.10 0.00 0.00 70.33 66.36 2wdg n THR 61 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wdg n SER 62 N 3.18 -0.87 0.00 3.42 3.41 -1.26 -4.97 113.62 116.54 2wdg n SER 62 Ca 0.74 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2wdg n SER 62 Cb 0.27 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2wdg n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdg n GLY 63 N -0.68 0.04 0.00 5.00 0.00 -1.18 -4.91 105.19 103.46 2wdg n GLY 63 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2wdg n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdg n TYR 64 N -2.00 -2.04 0.00 1.61 4.02 -1.25 -4.91 117.16 112.59 2wdg n TYR 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wdg n TYR 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2wdg n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2wdg n GLU 65 N -0.53 0.00 -4.24 -0.72 2.13 -1.25 -2.98 120.64 113.05 2wdg n GLU 65 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2wdg n GLU 65 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2wdg n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2wdg s VAL 66 N 0.00 0.41 0.03 6.31 -7.23 -0.06 -4.90 120.40 114.96 2wdg s VAL 66 Ca 0.00 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 2wdg s VAL 66 Cb 0.00 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.56 2wdg s VAL 66 CO 0.00 -0.26 0.53 0.42 -0.31 0.00 0.00 175.10 175.49 2wdg s THR 67 N -3.85 4.85 0.03 5.32 -4.23 -1.26 0.43 115.64 116.93 2wdg s THR 67 Ca 0.30 1.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.96 2wdg s THR 67 Cb 0.07 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 2wdg s THR 67 CO 0.08 0.53 -0.07 0.00 -0.54 0.00 0.00 174.62 174.61 2wdg s ALA 68 N -0.86 0.51 0.28 3.99 0.00 -0.19 -4.16 121.76 121.33 2wdg s ALA 68 Ca 0.28 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 2wdg s ALA 68 Cb -0.18 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 2wdg s ALA 68 CO 0.17 -0.00 1.02 -0.47 0.00 0.00 0.00 175.76 176.48 2wdg s TYR 69 N -1.11 3.70 -0.74 0.00 5.04 0.18 -1.44 117.35 122.97 2wdg s TYR 69 Ca -0.08 1.78 -0.08 0.00 -2.44 0.00 0.00 57.07 56.25 2wdg s TYR 69 Cb -0.08 -3.12 0.19 0.00 0.35 0.00 0.00 41.96 39.30 2wdg s TYR 69 CO 0.00 -0.13 0.62 0.42 -1.34 0.00 0.00 175.55 175.12 2wdg s ILE 70 N -1.27 4.69 0.87 3.14 1.01 -0.36 0.14 121.20 129.41 2wdg s ILE 70 Ca 0.45 -2.77 -0.11 0.00 0.00 0.00 0.00 60.65 58.22 2wdg s ILE 70 Cb -0.27 -3.95 0.11 0.00 0.01 0.00 0.00 42.46 38.36 2wdg s ILE 70 CO 0.35 -0.96 1.09 -2.16 0.00 0.00 0.00 174.94 173.26 2wdg s PRO 71 N -0.03 1.46 0.00 2.79 0.04 -1.26 -4.70 135.00 133.29 2wdg s PRO 71 Ca 0.18 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2wdg s PRO 71 Cb -0.15 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2wdg s PRO 71 CO -0.06 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.23 2wdg n GLY 72 N -0.89 -0.63 3.31 0.56 0.00 -1.26 -4.84 105.19 101.44 2wdg n GLY 72 Ca 0.08 -2.26 -0.44 0.00 0.00 0.00 0.00 46.02 43.40 2wdg n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdg s GLU 73 N -0.82 4.04 0.04 1.61 2.56 -1.26 -4.97 118.70 119.90 2wdg s GLU 73 Ca 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 54.97 51.81 2wdg s GLU 73 Cb 0.00 -4.47 0.00 0.00 2.00 0.00 0.00 34.13 31.66 2wdg s GLU 73 CO 0.00 -1.25 0.00 0.41 -0.56 0.00 0.00 175.26 173.86 2wdg n GLY 74 N 2.76 -2.21 0.00 -1.50 0.00 -1.26 -4.89 105.19 98.09 2wdg n GLY 74 Ca 0.23 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2wdg n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2wdg n HIS 75 N -2.47 0.00 0.00 1.61 1.44 -1.26 -4.91 115.22 109.62 2wdg n HIS 75 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2wdg n HIS 75 Cb 0.05 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.16 2wdg n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 2wdg n ASN 76 N 0.00 0.42 0.00 4.39 6.94 -1.26 -5.10 115.26 120.65 2wdg n ASN 76 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wdg n ASN 76 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wdg n ASN 76 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wdg n LEU 77 N -2.64 0.00 -4.74 -4.53 4.77 -1.26 -4.97 117.00 103.62 2wdg n LEU 77 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2wdg n LEU 77 Cb 0.28 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2wdg n LEU 77 CO 0.00 0.00 -0.21 -1.10 -1.33 0.00 0.00 177.39 174.75 2wdg s GLN 78 N 0.00 2.14 0.00 3.23 -0.21 -1.26 -4.95 119.66 118.62 2wdg s GLN 78 Ca 0.00 -2.19 -0.00 0.00 0.02 0.00 0.00 55.36 53.19 2wdg s GLN 78 Cb 0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.29 2wdg s GLN 78 CO 0.00 -0.27 0.92 -1.91 -2.12 0.00 0.00 175.29 171.90 2wdg n GLU 79 N -1.24 0.44 0.00 2.91 2.13 -1.26 -1.95 120.64 121.67 2wdg n GLU 79 Ca -0.10 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.65 2wdg n GLU 79 Cb 0.66 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.99 2wdg n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2wdg n HIS 80 N 2.01 0.00 -1.84 4.31 8.25 -1.20 -4.72 115.22 122.02 2wdg n HIS 80 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 2wdg n HIS 80 Cb 0.21 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2wdg n HIS 80 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wdg s SER 81 N 0.00 6.23 0.03 0.41 0.01 -0.82 -4.58 113.70 114.97 2wdg s SER 81 Ca 0.00 2.96 -0.24 0.00 1.31 0.00 0.00 55.95 59.98 2wdg s SER 81 Cb 0.00 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 2wdg s SER 81 CO 0.00 -0.94 0.74 -0.69 0.41 0.00 0.00 173.24 172.76 2wdg s VAL 82 N -1.16 4.79 0.05 3.43 1.01 -1.26 -1.40 120.40 125.86 2wdg s VAL 82 Ca 0.55 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 64.08 2wdg s VAL 82 Cb -0.45 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 2wdg s VAL 82 CO 0.59 0.36 0.01 -0.69 0.00 0.00 0.00 175.10 175.37 2wdg s VAL 83 N 0.03 0.19 -0.10 2.92 1.01 -0.42 -2.27 120.40 121.76 2wdg s VAL 83 Ca 0.38 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2wdg s VAL 83 Cb -0.20 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2wdg s VAL 83 CO 0.22 -0.86 0.05 -0.22 0.00 0.00 0.00 175.10 174.28 2wdg s LEU 84 N -2.66 3.83 -0.10 3.92 1.98 -1.26 -1.34 118.68 123.05 2wdg s LEU 84 Ca 0.03 0.24 -0.02 0.00 -2.89 0.00 0.00 54.13 51.48 2wdg s LEU 84 Cb 0.05 -1.90 -0.03 0.00 0.66 0.00 0.00 46.19 44.96 2wdg s LEU 84 CO -0.08 0.38 -0.01 -0.63 -1.89 0.00 0.00 176.35 174.11 2wdg s ILE 85 N -0.85 4.19 -0.17 6.68 -1.09 -0.12 -0.75 121.20 129.09 2wdg s ILE 85 Ca 0.13 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 2wdg s ILE 85 Cb -0.12 -2.78 -0.13 0.00 -1.58 0.00 0.00 42.46 37.85 2wdg s ILE 85 CO 0.03 0.58 -0.10 -1.14 -1.23 0.00 0.00 174.94 173.07 2wdg n ARG 86 N 2.49 0.79 -1.42 2.79 0.63 0.28 -2.81 116.66 119.41 2wdg n ARG 86 Ca -0.18 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2wdg n ARG 86 Cb 0.53 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 32.08 2wdg n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdg n GLY 87 N 2.50 -2.79 3.53 5.14 0.00 -1.23 -4.80 105.19 107.53 2wdg n GLY 87 Ca -0.29 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.32 2wdg n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdg s GLY 88 N 0.00 0.17 1.14 -0.02 0.00 -1.10 -4.75 107.32 102.77 2wdg s GLY 88 Ca 0.00 3.38 -0.16 0.00 0.00 0.00 0.00 44.72 47.95 2wdg s GLY 88 CO 0.00 2.90 1.07 1.09 0.00 0.00 0.00 173.10 178.16 2wdg s ARG 89 N 1.61 -0.72 -0.34 2.90 1.04 -1.26 -3.04 118.95 119.14 2wdg s ARG 89 Ca -0.06 0.30 -0.01 0.00 -1.04 0.00 0.00 55.73 54.92 2wdg s ARG 89 Cb -0.03 -1.62 0.12 0.00 -2.04 0.00 0.00 34.95 31.37 2wdg s ARG 89 CO -0.14 -3.46 0.16 0.08 -0.04 0.00 0.00 175.30 171.90 2wdg s VAL 90 N -2.85 0.55 0.22 4.99 1.01 -1.07 -4.90 120.40 118.35 2wdg s VAL 90 Ca 0.68 -1.54 0.13 0.00 0.00 0.00 0.00 61.98 61.25 2wdg s VAL 90 Cb -0.16 -1.41 0.21 0.00 0.00 0.00 0.00 36.38 35.01 2wdg s VAL 90 CO 0.58 -0.81 0.91 1.17 0.00 0.00 0.00 175.10 176.95 2wdg n LYS 91 N 4.50 -0.03 -0.94 2.72 3.00 -1.26 0.22 118.16 126.36 2wdg n LYS 91 Ca 0.03 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 59.13 2wdg n LYS 91 Cb 0.39 -1.44 0.34 0.00 0.00 0.00 0.00 35.03 34.33 2wdg n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wdg n ASP 92 N -4.28 5.12 -3.21 3.14 8.00 -1.26 -4.62 116.55 119.45 2wdg n ASP 92 Ca 0.22 -3.11 -0.19 0.00 0.71 0.00 0.00 54.79 52.42 2wdg n ASP 92 Cb 0.76 -0.71 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 2wdg n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wdg s LEU 93 N -2.91 0.36 0.70 0.64 1.43 0.13 -1.27 118.68 117.77 2wdg s LEU 93 Ca 0.54 -2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 51.02 2wdg s LEU 93 Cb 0.43 0.38 -0.01 0.00 0.03 0.00 0.00 46.19 47.01 2wdg s LEU 93 CO 0.14 -0.15 0.89 -2.65 0.23 0.00 0.00 176.35 174.81 2wdg n PRO 94 N 3.10 0.54 0.00 1.29 -0.02 -1.26 -1.90 135.00 136.75 2wdg n PRO 94 Ca 0.23 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2wdg n PRO 94 Cb 0.50 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2wdg n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdg n GLY 95 N 1.23 2.30 3.58 -1.23 0.00 -1.26 -4.95 105.19 104.85 2wdg n GLY 95 Ca 0.13 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2wdg n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdg s VAL 96 N 0.00 3.30 -0.13 1.61 1.01 -0.80 -4.78 120.40 120.61 2wdg s VAL 96 Ca 0.00 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.40 2wdg s VAL 96 Cb 0.00 -3.52 0.29 0.00 0.00 0.00 0.00 36.38 33.15 2wdg s VAL 96 CO 0.00 -0.41 1.15 0.54 0.00 0.00 0.00 175.10 176.38 2wdg n ARG 97 N 8.77 1.19 -3.88 2.72 1.74 -1.26 -2.60 116.66 123.34 2wdg n ARG 97 Ca 0.26 -2.56 -0.10 0.00 -0.77 0.00 0.00 57.85 54.67 2wdg n ARG 97 Cb 0.49 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.44 2wdg n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wdg s TYR 98 N -2.61 0.09 -0.04 -1.55 1.51 -1.17 -2.69 117.35 110.89 2wdg s TYR 98 Ca 0.30 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 2wdg s TYR 98 Cb 0.27 -0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 42.03 2wdg s TYR 98 CO 0.00 -0.34 -0.25 -1.01 -1.11 0.00 0.00 175.55 172.84 2wdg s HIS 99 N -2.03 2.40 -0.01 2.71 3.76 -1.25 0.47 115.29 121.34 2wdg s HIS 99 Ca -0.10 -0.53 -0.27 0.00 -0.15 0.00 0.00 55.06 54.01 2wdg s HIS 99 Cb -0.04 -1.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 2wdg s HIS 99 CO -0.02 -0.09 0.85 0.42 -0.85 0.00 0.00 174.74 175.05 2wdg s ILE 100 N -0.44 4.89 -0.36 0.60 1.01 0.12 0.10 121.20 127.11 2wdg s ILE 100 Ca 0.05 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 2wdg s ILE 100 Cb -0.11 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.18 2wdg s ILE 100 CO 0.01 0.23 1.09 -0.69 0.00 0.00 0.00 174.94 175.58 2wdg s VAL 101 N 0.72 4.43 0.69 2.92 1.01 0.07 -4.54 120.40 125.70 2wdg s VAL 101 Ca 0.45 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.88 2wdg s VAL 101 Cb -0.20 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.73 2wdg s VAL 101 CO 0.24 -0.62 1.15 -0.13 0.00 0.00 0.00 175.10 175.74 2wdg s ARG 102 N 3.86 2.53 -0.76 2.72 1.81 -1.26 -3.63 118.95 124.23 2wdg s ARG 102 Ca 0.46 1.53 0.00 0.00 -1.72 0.00 0.00 55.73 56.00 2wdg s ARG 102 Cb -0.11 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.49 2wdg s ARG 102 CO 0.20 -1.49 0.00 0.41 -0.68 0.00 0.00 175.30 173.74 2wdg n GLY 103 N -0.16 0.79 2.95 -3.53 0.00 -1.00 -4.23 105.19 100.01 2wdg n GLY 103 Ca 0.11 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 2wdg n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdg s VAL 104 N -2.29 0.59 0.00 1.61 1.01 -1.04 -4.95 120.40 115.34 2wdg s VAL 104 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2wdg s VAL 104 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.83 2wdg s VAL 104 CO 0.00 0.20 0.00 -1.22 0.00 0.00 0.00 175.10 174.08 2wdg n TYR 105 N 3.47 -0.02 0.00 5.22 0.53 -1.26 -1.65 117.16 123.45 2wdg n TYR 105 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.68 2wdg n TYR 105 Cb 0.54 0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.94 2wdg n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 2wdg n ASP 106 N -3.12 0.00 -4.65 7.72 9.92 -0.96 -4.61 116.55 120.85 2wdg n ASP 106 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 2wdg n ASP 106 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 2wdg n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdg s ALA 107 N -1.97 3.55 0.68 2.24 0.00 -0.66 -4.64 121.76 120.96 2wdg s ALA 107 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 2wdg s ALA 107 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.28 2wdg s ALA 107 CO 0.00 -0.52 1.06 0.00 0.00 0.00 0.00 175.76 176.30 2wdg s ALA 108 N 1.82 2.97 0.11 0.00 0.00 -1.26 -2.49 121.76 122.91 2wdg s ALA 108 Ca 0.24 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2wdg s ALA 108 Cb -0.15 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2wdg s ALA 108 CO 0.10 -1.07 0.22 0.20 0.00 0.00 0.00 175.76 175.21 2wdg s GLY 109 N -4.35 1.92 -0.11 0.00 0.00 -1.26 -2.36 107.32 101.16 2wdg s GLY 109 Ca 0.57 -0.97 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 2wdg s GLY 109 CO 0.51 -0.96 2.13 0.14 0.00 0.00 0.00 173.10 174.91 2wdg s VAL 110 N -1.62 3.00 0.38 1.40 1.01 -1.08 -4.92 120.40 118.56 2wdg s VAL 110 Ca 0.34 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 2wdg s VAL 110 Cb -0.12 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 2wdg s VAL 110 CO 0.27 -0.00 1.11 -0.75 0.00 0.00 0.00 175.10 175.73 2wdg s LYS 111 N 5.60 4.20 0.00 2.72 2.20 -1.26 -3.12 119.74 130.08 2wdg s LYS 111 Ca 0.96 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 2wdg s LYS 111 Cb -0.37 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2wdg s LYS 111 CO 0.38 -0.16 0.00 -0.25 -0.36 0.00 0.00 175.35 174.96 2wdg n ASP 112 N 0.20 0.00 -4.70 1.43 10.43 -1.26 -4.96 116.55 117.70 2wdg n ASP 112 Ca 0.04 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.98 2wdg n ASP 112 Cb 0.47 -0.82 -0.03 0.00 1.84 0.00 0.00 41.12 42.59 2wdg n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wdg s ARG 113 N -0.25 4.26 -0.03 -1.24 6.06 -1.18 -4.87 118.95 121.69 2wdg s ARG 113 Ca 0.00 2.12 0.05 0.00 -2.50 0.00 0.00 55.73 55.40 2wdg s ARG 113 Cb 0.00 -3.50 -0.07 0.00 0.06 0.00 0.00 34.95 31.44 2wdg s ARG 113 CO 0.00 -0.60 0.06 1.63 -2.50 0.00 0.00 175.30 173.89 2wdg n LYS 114 N 5.09 2.03 0.00 5.12 5.02 -1.26 -4.90 118.16 129.26 2wdg n LYS 114 Ca 0.14 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2wdg n LYS 114 Cb 0.42 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 2wdg n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdg n LYS 115 N -2.00 0.00 -1.60 1.97 5.02 -1.26 -4.69 118.16 115.60 2wdg n LYS 115 Ca -0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.80 2wdg n LYS 115 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 2wdg n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2wdg n SER 116 N 0.00 3.26 -0.02 4.39 7.64 -1.26 -4.70 113.62 122.93 2wdg n SER 116 Ca 0.00 0.24 -0.01 0.00 1.01 0.00 0.00 58.87 60.11 2wdg n SER 116 Cb 0.00 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 61.62 2wdg n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wdg n ARG 117 N 8.68 2.46 -0.22 1.43 1.74 -1.26 -4.57 116.66 124.93 2wdg n ARG 117 Ca 0.30 -0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2wdg n ARG 117 Cb 0.44 -1.11 0.10 0.00 -1.02 0.00 0.00 32.46 30.87 2wdg n ARG 117 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wdg h SER 118 N 0.00 -0.38 -4.33 0.55 0.87 -1.84 -1.22 113.55 107.19 2wdg h SER 118 Ca -0.08 0.17 -0.51 0.00 -1.23 0.00 0.00 61.79 60.14 2wdg h SER 118 Cb 0.98 0.32 0.06 0.00 -0.44 0.00 0.00 62.40 63.32 2wdg h SER 118 CO 0.00 -0.16 0.41 -0.54 -0.53 0.00 0.00 176.83 176.02 2wdg s LYS 119 N -6.17 3.56 -0.39 2.24 1.02 -1.26 -2.93 119.74 115.80 2wdg s LYS 119 Ca -0.14 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2wdg s LYS 119 Cb 0.20 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2wdg s LYS 119 CO 0.74 -0.60 0.00 0.66 -0.92 0.00 0.00 175.35 175.23 2wdg n TYR 120 N -2.64 0.00 -3.26 3.18 4.02 -1.26 -4.26 117.16 112.94 2wdg n TYR 120 Ca 0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.84 2wdg n TYR 120 Cb 0.54 -1.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.24 2wdg n TYR 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wdg n GLY 121 N -0.61 -0.38 3.48 2.72 0.00 -1.09 -2.64 105.19 106.66 2wdg n GLY 121 Ca -0.04 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2wdg n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdg s THR 122 N -3.10 3.41 1.03 2.61 2.01 -0.48 -4.41 115.64 116.71 2wdg s THR 122 Ca 0.06 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 2wdg s THR 122 Cb -0.03 -2.42 0.21 0.00 0.01 0.00 0.00 72.50 70.27 2wdg s THR 122 CO 0.31 0.55 1.08 -0.54 -0.69 0.00 0.00 174.62 175.33 2wdg s LYS 123 N -0.22 0.16 -0.40 4.92 -0.14 -1.26 -4.62 119.74 118.18 2wdg s LYS 123 Ca 0.02 1.00 -0.23 0.00 -1.36 0.00 0.00 55.97 55.40 2wdg s LYS 123 Cb -0.13 -1.67 0.02 0.00 -1.68 0.00 0.00 37.83 34.37 2wdg s LYS 123 CO 0.03 -3.04 0.78 0.21 -0.76 0.00 0.00 175.35 172.56 2wdg s LYS 124 N -4.65 3.59 1.21 1.68 2.47 -1.26 -5.04 119.74 117.74 2wdg s LYS 124 Ca 0.67 0.11 -0.13 0.00 -1.56 0.00 0.00 55.97 55.05 2wdg s LYS 124 Cb -0.22 -3.87 0.31 0.00 -1.46 0.00 0.00 37.83 32.59 2wdg s LYS 124 CO 0.61 -0.97 1.00 -0.35 0.16 0.00 0.00 175.35 175.80 2wdg n PRO 125 N 6.54 -2.74 -2.95 4.03 -0.04 -1.26 -5.02 135.00 133.56 2wdg n PRO 125 Ca 0.02 -0.77 -0.21 0.00 -0.04 0.00 0.00 63.50 62.50 2wdg n PRO 125 Cb 0.48 -2.14 0.02 0.00 -0.04 0.00 0.00 33.50 31.82 2wdg n PRO 125 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2wdg s LYS 126 N -4.37 2.87 0.00 0.54 2.47 -1.26 -4.94 119.74 115.05 2wdg s LYS 126 Ca 0.69 -0.76 0.00 0.00 -1.56 0.00 0.00 55.97 54.34 2wdg s LYS 126 Cb -0.26 -2.60 0.00 0.00 -1.46 0.00 0.00 37.83 33.51 2wdg s LYS 126 CO 0.66 -0.36 0.20 0.39 0.16 0.00 0.00 175.35 176.40 2wdg n GLU 127 N -2.07 0.21 -3.80 4.03 -0.58 -1.26 -4.81 120.64 112.35 2wdg n GLU 127 Ca 0.04 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.42 2wdg n GLU 127 Cb 0.59 -1.01 0.04 0.00 -0.57 0.00 0.00 31.44 30.48 2wdg n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wdg n ALA 128 N -0.41 -2.58 0.00 0.62 0.00 -1.26 -5.38 120.51 111.50 2wdg n ALA 128 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2wdg n ALA 128 Cb 0.01 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 15.83 2wdg n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50