#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 s GLY 2 N 0.00 -0.35 -0.17 3.03 0.00 -1.26 -5.15 107.32 103.42 2f76 s GLY 2 Ca 0.00 1.14 -0.07 0.00 0.00 0.00 0.00 44.72 45.79 2f76 s GLY 2 CO 0.00 0.35 0.05 1.20 0.00 0.00 0.00 173.10 174.71 2f76 s GLN 3 N -2.67 3.87 -0.22 2.90 -0.21 -1.26 -5.09 119.66 116.98 2f76 s GLN 3 Ca 0.10 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.10 2f76 s GLN 3 Cb 0.00 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.85 2f76 s GLN 3 CO -0.05 0.33 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.18 2f76 s GLU 4 N 0.21 3.24 -0.20 2.91 2.02 -1.26 -5.09 118.70 120.52 2f76 s GLU 4 Ca 0.04 -0.71 -0.05 0.00 0.02 0.00 0.00 54.97 54.27 2f76 s GLU 4 Cb -0.12 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 2f76 s GLU 4 CO 0.01 -0.24 -0.01 -1.17 0.02 0.00 0.00 175.26 173.87 2f76 s LEU 5 N 1.43 3.23 0.21 1.80 2.96 -1.26 -4.98 118.68 122.07 2f76 s LEU 5 Ca 0.05 -0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 2f76 s LEU 5 Cb -0.14 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 2f76 s LEU 5 CO -0.05 0.07 0.37 -0.94 -1.32 0.00 0.00 176.35 174.48 2f76 s SER 6 N 0.99 -0.03 0.58 3.68 1.04 -1.26 -5.02 113.70 113.69 2f76 s SER 6 Ca 0.01 -0.95 0.28 0.00 0.48 0.00 0.00 55.95 55.78 2f76 s SER 6 Cb -0.14 0.51 1.51 0.00 0.10 0.00 0.00 66.02 68.00 2f76 s SER 6 CO 0.02 -1.02 1.95 1.56 0.98 0.00 0.00 173.24 176.73 2f76 h GLN 7 N 2.39 0.00 -0.53 4.02 4.20 -2.00 -0.43 115.11 122.76 2f76 h GLN 7 Ca -0.29 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.44 2f76 h GLN 7 Cb 1.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 2f76 h GLN 7 CO 0.42 0.00 0.33 0.45 -0.67 0.00 0.00 178.83 179.35 2f76 h HIS 8 N 0.00 0.61 -0.74 2.96 3.86 -2.00 0.46 115.15 120.31 2f76 h HIS 8 Ca 0.20 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 2f76 h HIS 8 Cb 1.02 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 2f76 h HIS 8 CO 0.00 0.36 0.29 0.93 0.86 0.00 0.00 177.93 180.37 2f76 h GLU 9 N 0.65 1.10 -0.35 2.45 3.07 -1.45 -2.25 114.58 117.79 2f76 h GLU 9 Ca 0.21 -0.19 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 2f76 h GLU 9 Cb -0.01 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 2f76 h GLU 9 CO -0.08 0.89 -0.15 0.00 -1.40 0.00 0.00 179.01 178.27 2f76 h ARG 10 N 1.07 0.64 -0.23 2.33 3.08 -1.30 -2.73 114.38 117.23 2f76 h ARG 10 Ca 0.25 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2f76 h ARG 10 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2f76 h ARG 10 CO -0.02 0.77 0.12 -0.92 -1.07 0.00 0.00 179.97 178.84 2f76 h TYR 11 N 0.58 0.22 -0.75 3.04 3.20 -0.34 -2.39 116.97 120.54 2f76 h TYR 11 Ca 0.10 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2f76 h TYR 11 Cb 0.59 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 2f76 h TYR 11 CO 0.03 0.12 0.31 -0.24 -1.64 0.00 0.00 178.16 176.74 2f76 h VAL 12 N 0.25 1.25 -0.88 1.81 3.04 -1.42 -2.31 116.25 117.99 2f76 h VAL 12 Ca 0.10 -0.77 0.13 0.00 -1.01 0.00 0.00 66.70 65.14 2f76 h VAL 12 Cb 0.02 0.36 -0.07 0.00 -2.01 0.00 0.00 31.29 29.59 2f76 h VAL 12 CO -0.06 0.31 0.57 -0.33 -1.01 0.00 0.00 177.57 177.05 2f76 h GLU 13 N 1.07 0.73 -0.30 4.17 5.08 -1.14 0.21 114.58 124.40 2f76 h GLU 13 Ca 0.25 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2f76 h GLU 13 Cb 0.19 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2f76 h GLU 13 CO -0.02 0.48 0.02 1.96 -1.00 0.00 0.00 179.01 180.45 2f76 h GLN 14 N 0.75 0.53 -0.56 2.33 4.20 -0.93 -1.45 115.11 119.97 2f76 h GLN 14 Ca 0.43 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 2f76 h GLN 14 Cb 0.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2f76 h GLN 14 CO -0.19 0.65 0.15 -0.07 -0.67 0.00 0.00 178.83 178.70 2f76 h LEU 15 N 0.33 0.83 -0.30 1.46 3.38 -0.95 -1.08 115.31 118.98 2f76 h LEU 15 Ca 0.09 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2f76 h LEU 15 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2f76 h LEU 15 CO 0.01 0.84 0.18 0.11 0.09 0.00 0.00 178.44 179.67 2f76 h LYS 16 N 0.79 0.37 0.19 1.13 1.57 -0.51 0.33 116.57 120.43 2f76 h LYS 16 Ca 0.18 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2f76 h LYS 16 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2f76 h LYS 16 CO -0.00 0.24 -0.09 1.96 -0.57 0.00 0.00 179.45 180.99 2f76 h GLN 17 N 0.38 -0.24 -0.40 3.15 1.08 -1.11 0.34 115.11 118.32 2f76 h GLN 17 Ca 0.11 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2f76 h GLN 17 Cb -0.02 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2f76 h GLN 17 CO -0.04 0.08 0.25 0.00 -0.95 0.00 0.00 178.83 178.17 2f76 h ALA 18 N 0.15 0.50 0.00 3.87 0.00 -1.15 -2.26 119.26 120.37 2f76 h ALA 18 Ca -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2f76 h ALA 18 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2f76 h ALA 18 CO 0.04 -0.02 -0.39 -0.07 0.00 0.00 0.00 179.25 178.81 2f76 h LEU 19 N 0.53 0.00 -0.78 0.00 3.38 -0.38 -3.14 115.31 114.92 2f76 h LEU 19 Ca 0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2f76 h LEU 19 Cb -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2f76 h LEU 19 CO -0.03 0.39 0.50 0.11 0.09 0.00 0.00 178.44 179.51 2f76 h LYS 20 N 0.00 0.96 0.00 1.13 1.57 0.30 0.81 116.57 121.34 2f76 h LYS 20 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2f76 h LYS 20 Cb 0.94 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2f76 h LYS 20 CO 0.05 0.64 0.00 0.25 -0.57 0.00 0.00 179.45 179.82 2f76 n THR 21 N -4.59 1.03 1.26 -0.16 -2.24 -1.12 -1.38 114.28 107.08 2f76 n THR 21 Ca 0.09 0.36 0.13 0.00 -2.27 0.00 0.00 64.05 62.36 2f76 n THR 21 Cb 0.07 -1.27 0.41 0.00 -2.10 0.00 0.00 70.33 67.44 2f76 n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2f76 n ARG 22 N -2.00 0.78 0.00 -0.78 1.74 0.26 -4.89 116.66 111.77 2f76 n ARG 22 Ca 0.02 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 2f76 n ARG 22 Cb 0.15 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f76 n GLY 23 N 1.34 1.63 3.61 -0.13 0.00 -0.48 -4.97 105.19 106.19 2f76 n GLY 23 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2f76 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f76 s VAL 24 N -2.00 5.32 -0.33 1.61 1.01 -1.07 -4.99 120.40 119.95 2f76 s VAL 24 Ca 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2f76 s VAL 24 Cb 0.00 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.97 2f76 s VAL 24 CO 0.00 0.27 0.18 -0.54 0.00 0.00 0.00 175.10 175.02 2f76 s LYS 25 N 1.55 0.40 0.11 2.72 1.02 -1.26 -4.21 119.74 120.06 2f76 s LYS 25 Ca 0.08 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 55.07 2f76 s LYS 25 Cb -0.15 -1.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 2f76 s LYS 25 CO 0.09 -1.13 0.05 0.14 -0.92 0.00 0.00 175.35 173.57 2f76 s VAL 26 N 1.51 0.14 0.48 3.17 -7.23 -1.26 -5.08 120.40 112.13 2f76 s VAL 26 Ca 0.14 -1.83 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 2f76 s VAL 26 Cb -0.20 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.80 2f76 s VAL 26 CO -0.15 -0.62 1.06 0.29 -0.31 0.00 0.00 175.10 175.37 2f76 n LYS 27 N -0.04 1.34 -0.14 4.82 5.02 -1.26 -4.88 118.16 123.03 2f76 n LYS 27 Ca -0.08 0.49 -0.06 0.00 -2.02 0.00 0.00 58.31 56.64 2f76 n LYS 27 Cb 0.63 -2.16 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 2f76 n LYS 27 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2f76 h TYR 28 N 1.34 0.42 -0.01 2.13 -1.99 -2.02 -0.52 116.97 116.31 2f76 h TYR 28 Ca -0.47 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.28 2f76 h TYR 28 Cb 1.34 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.94 2f76 h TYR 28 CO 0.43 0.22 0.01 0.00 -0.00 0.00 0.00 178.16 178.82 2f76 h ALA 29 N 1.22 1.66 -0.26 3.88 0.00 -1.98 -2.68 119.26 121.11 2f76 h ALA 29 Ca 0.18 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2f76 h ALA 29 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2f76 h ALA 29 CO -0.12 -0.01 -0.36 0.22 0.00 0.00 0.00 179.25 178.98 2f76 h ASP 30 N 0.00 -1.15 0.03 0.00 3.58 -1.43 0.48 116.42 117.93 2f76 h ASP 30 Ca 0.00 0.18 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 2f76 h ASP 30 Cb 0.02 0.50 0.01 0.00 1.72 0.00 0.00 39.33 41.58 2f76 h ASP 30 CO -0.00 -0.36 -0.54 -0.07 -2.88 0.00 0.00 179.24 175.39 2f76 h LEU 31 N -0.36 0.43 0.17 2.28 3.38 -1.62 -2.16 115.31 117.43 2f76 h LEU 31 Ca 0.12 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 2f76 h LEU 31 Cb 0.57 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2f76 h LEU 31 CO -0.45 1.19 -0.08 0.25 0.09 0.00 0.00 178.44 179.43 2f76 h LEU 32 N -0.29 -0.19 -0.62 1.67 5.85 -1.30 0.22 115.31 120.65 2f76 h LEU 32 Ca -0.08 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2f76 h LEU 32 Cb 1.30 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2f76 h LEU 32 CO 0.11 -0.12 0.06 0.11 -0.34 0.00 0.00 178.44 178.25 2f76 h LYS 33 N -0.25 1.05 -0.53 1.25 1.79 -0.19 -2.67 116.57 117.03 2f76 h LYS 33 Ca -0.02 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.13 2f76 h LYS 33 Cb 0.19 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2f76 h LYS 33 CO 0.04 1.00 0.26 0.35 -1.08 0.00 0.00 179.45 180.02 2f76 h PHE 34 N 0.96 0.75 -0.67 -1.35 3.57 -1.10 -1.83 116.94 117.26 2f76 h PHE 34 Ca 0.18 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2f76 h PHE 34 Cb 0.48 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2f76 h PHE 34 CO 0.04 0.57 0.44 0.35 -2.23 0.00 0.00 178.31 177.48 2f76 h PHE 35 N 0.70 0.76 0.00 0.41 3.04 -0.41 0.17 116.94 121.61 2f76 h PHE 35 Ca 0.18 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 2f76 h PHE 35 Cb 0.10 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 2f76 h PHE 35 CO -0.01 0.44 -0.24 -0.44 -2.02 0.00 0.00 178.31 176.04 2f76 h ASP 36 N 0.78 0.00 0.36 0.41 3.32 -1.10 -2.30 116.42 117.90 2f76 h ASP 36 Ca 0.27 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2f76 h ASP 36 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2f76 h ASP 36 CO -0.08 0.24 -0.17 0.15 -1.72 0.00 0.00 179.24 177.66 2f76 h PHE 37 N 0.00 -0.45 -0.33 4.55 3.04 0.16 0.22 116.94 124.13 2f76 h PHE 37 Ca -0.00 -0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.79 2f76 h PHE 37 Cb 0.81 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.46 2f76 h PHE 37 CO 0.00 -0.16 -0.37 -0.24 -2.02 0.00 0.00 178.31 175.52 2f76 h VAL 38 N -0.69 1.28 -0.66 1.41 3.04 -1.55 -2.89 116.25 116.19 2f76 h VAL 38 Ca -0.05 -1.55 -0.04 0.00 -1.01 0.00 0.00 66.70 64.05 2f76 h VAL 38 Cb 0.49 1.50 -0.03 0.00 -2.01 0.00 0.00 31.29 31.23 2f76 h VAL 38 CO 0.08 0.51 0.24 0.11 -1.01 0.00 0.00 177.57 177.50 2f76 h LYS 39 N 0.63 0.98 -0.08 4.17 1.57 -1.29 4.72 116.57 127.27 2f76 h LYS 39 Ca 0.05 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2f76 h LYS 39 Cb 0.96 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2f76 h LYS 39 CO 0.09 0.82 0.04 -0.44 -0.57 0.00 0.00 179.45 179.39 2f76 h ASP 40 N 0.96 0.11 0.20 0.86 3.32 -0.47 -3.09 116.42 118.31 2f76 h ASP 40 Ca 0.22 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2f76 h ASP 40 Cb 0.22 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2f76 h ASP 40 CO -0.02 0.18 -1.80 0.35 -1.72 0.00 0.00 179.24 176.23 2f76 n THR 41 N -4.97 0.13 -3.51 0.35 -2.24 -1.10 -4.77 114.28 98.17 2f76 n THR 41 Ca -0.06 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 2f76 n THR 41 Cb 0.08 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 n PRO 43 N 4.18 0.71 -0.79 0.00 -0.04 -1.17 -2.93 135.00 134.96 2f76 n PRO 43 Ca 0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2f76 n PRO 43 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2f76 n PRO 43 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2f76 n TRP 44 N -1.06 -0.87 -2.65 0.54 2.14 -1.26 -5.00 117.44 109.27 2f76 n TRP 44 Ca 0.18 0.00 -0.03 0.00 2.07 0.00 0.00 57.50 59.72 2f76 n TRP 44 Cb 0.11 0.00 0.11 0.00 -0.81 0.00 0.00 31.31 30.72 2f76 n TRP 44 CO 0.00 0.00 0.00 1.97 2.07 0.00 0.00 177.69 181.73 2f76 n PHE 45 N -0.29 -0.17 -1.66 -2.67 1.16 -1.26 -4.94 117.46 107.62 2f76 n PHE 45 Ca 0.00 -0.59 -0.38 0.00 -1.87 0.00 0.00 57.45 54.61 2f76 n PHE 45 Cb 0.00 1.11 0.05 0.00 -1.61 0.00 0.00 39.48 39.03 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 2f76 n PRO 46 N 0.72 1.12 0.00 3.97 -0.02 -1.26 -5.00 135.00 134.53 2f76 n PRO 46 Ca -0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2f76 n PRO 46 Cb 0.75 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2f76 n PRO 46 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2f76 n GLN 47 N -1.09 0.00 -3.57 -0.52 1.13 -1.26 -4.79 117.38 107.28 2f76 n GLN 47 Ca 0.13 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.19 2f76 n GLN 47 Cb 0.46 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.75 2f76 n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2f76 s GLU 48 N -2.00 0.27 0.00 -1.09 2.56 -1.26 -4.95 118.70 112.23 2f76 s GLU 48 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.49 2f76 s GLU 48 Cb 0.00 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.26 2f76 s GLU 48 CO 0.00 -0.07 0.00 0.41 -0.56 0.00 0.00 175.26 175.04 2f76 n GLY 49 N 3.87 3.29 3.24 -1.50 0.00 -1.26 -5.01 105.19 107.82 2f76 n GLY 49 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 2f76 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f76 s THR 50 N -2.61 0.69 -0.16 2.61 -4.23 -1.26 -5.09 115.64 105.59 2f76 s THR 50 Ca 0.00 -1.98 -0.42 0.00 -1.18 0.00 0.00 61.69 58.11 2f76 s THR 50 Cb 0.00 -2.13 -0.19 0.00 1.34 0.00 0.00 72.50 71.52 2f76 s THR 50 CO 0.00 -0.47 1.33 -0.38 -0.54 0.00 0.00 174.62 174.56 2f76 n ILE 51 N -0.25 0.03 -0.02 2.99 5.41 -1.26 -4.81 119.36 121.45 2f76 n ILE 51 Ca -0.06 -0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.67 2f76 n ILE 51 Cb 0.63 -0.37 0.27 0.00 -0.71 0.00 0.00 39.64 39.46 2f76 n ILE 51 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2f76 h ASP 52 N 4.19 0.54 0.58 4.38 1.82 -1.95 -1.53 116.42 124.45 2f76 h ASP 52 Ca -0.48 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.04 2f76 h ASP 52 Cb 1.39 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.25 2f76 h ASP 52 CO 0.79 0.60 -0.06 0.40 -1.61 0.00 0.00 179.24 179.37 2f76 h ILE 53 N 0.56 0.23 -0.81 2.25 2.04 -1.95 -3.07 117.51 116.76 2f76 h ILE 53 Ca 0.12 -0.46 0.17 0.00 1.00 0.00 0.00 64.86 65.69 2f76 h ILE 53 Cb 0.33 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.67 2f76 h ILE 53 CO 0.01 0.06 0.33 0.50 0.00 0.00 0.00 178.15 179.05 2f76 h LYS 54 N 0.00 0.41 -0.63 2.37 3.64 -1.62 0.13 116.57 120.88 2f76 h LYS 54 Ca -0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2f76 h LYS 54 Cb 0.36 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2f76 h LYS 54 CO 0.01 0.27 0.03 -0.09 -2.27 0.00 0.00 179.45 177.40 2f76 h ARG 55 N 0.43 1.10 0.24 1.90 2.43 -1.71 -1.43 114.38 117.33 2f76 h ARG 55 Ca 0.47 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2f76 h ARG 55 Cb 0.79 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2f76 h ARG 55 CO -0.46 1.05 -0.11 2.35 -1.51 0.00 0.00 179.97 181.29 2f76 h TRP 56 N 1.00 -0.29 -0.38 2.20 7.01 -0.93 -2.18 115.95 122.38 2f76 h TRP 56 Ca 0.18 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 2f76 h TRP 56 Cb 0.54 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.67 2f76 h TRP 56 CO 0.04 -0.18 0.06 0.00 -2.79 0.00 0.00 178.44 175.57 2f76 h ARG 57 N -0.32 0.57 -0.56 2.65 2.47 -1.27 -2.61 114.38 115.31 2f76 h ARG 57 Ca -0.03 -0.11 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 2f76 h ARG 57 Cb 0.25 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 2f76 h ARG 57 CO 0.05 0.55 0.34 0.00 0.56 0.00 0.00 179.97 181.48 2f76 h ARG 58 N 0.56 0.66 -0.54 0.04 3.08 -0.89 0.12 114.38 117.40 2f76 h ARG 58 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2f76 h ARG 58 Cb 0.27 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2f76 h ARG 58 CO 0.00 0.43 0.29 0.28 -1.07 0.00 0.00 179.97 179.91 2f76 h VAL 59 N 0.68 1.18 -0.15 2.04 2.07 -1.03 0.02 116.25 121.05 2f76 h VAL 59 Ca 0.22 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2f76 h VAL 59 Cb 0.02 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2f76 h VAL 59 CO -0.10 0.20 0.07 1.23 0.02 0.00 0.00 177.57 178.99 2f76 h GLY 60 N 0.72 0.24 1.02 2.17 0.00 -1.16 0.64 103.07 106.69 2f76 h GLY 60 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2f76 h GLY 60 CO -0.03 0.11 0.54 -0.55 0.00 0.00 0.00 176.54 176.61 2f76 h ASP 61 N 0.11 1.10 0.61 0.19 3.32 -0.58 0.55 116.42 121.72 2f76 h ASP 61 Ca 0.05 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2f76 h ASP 61 Cb 0.13 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.41 2f76 h ASP 61 CO -0.01 0.85 -0.29 0.00 -1.72 0.00 0.00 179.24 178.07 2f76 h PHE 63 N -1.19 0.13 -0.72 0.00 0.04 -0.87 -1.23 116.94 113.11 2f76 h PHE 63 Ca -0.08 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.70 2f76 h PHE 63 Cb 0.63 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 2f76 h PHE 63 CO 0.00 0.08 0.47 0.37 -0.60 0.00 0.00 178.31 178.63 2f76 h GLN 64 N 0.14 0.92 -0.22 1.51 4.15 0.16 0.26 115.11 122.02 2f76 h GLN 64 Ca 0.07 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.46 2f76 h GLN 64 Cb 0.11 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 2f76 h GLN 64 CO -0.01 0.61 0.06 0.22 -1.93 0.00 0.00 178.83 177.77 2f76 h ASP 65 N 0.94 0.04 -0.30 -0.69 3.58 -0.81 0.96 116.42 120.13 2f76 h ASP 65 Ca 0.27 0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.62 2f76 h ASP 65 Cb -0.07 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2f76 h ASP 65 CO -0.08 0.05 -0.32 1.88 -2.88 0.00 0.00 179.24 177.89 2f76 h TYR 66 N 0.15 0.91 -0.44 0.28 0.05 -1.44 -2.41 116.97 114.07 2f76 h TYR 66 Ca 0.10 -0.28 -0.14 0.00 0.05 0.00 0.00 58.73 58.47 2f76 h TYR 66 Cb 0.09 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 2f76 h TYR 66 CO -0.14 1.05 -0.26 1.88 -1.05 0.00 0.00 178.16 179.64 2f76 h TYR 67 N 0.51 1.08 -0.32 4.88 -1.99 -0.25 -1.10 116.97 119.78 2f76 h TYR 67 Ca 0.04 -0.27 -0.02 0.00 2.00 0.00 0.00 58.73 60.48 2f76 h TYR 67 Cb 0.90 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 2f76 h TYR 67 CO 0.07 1.08 0.11 -0.91 -0.00 0.00 0.00 178.16 178.51 2f76 h ASN 68 N 0.79 0.46 -0.31 3.88 -0.26 0.95 0.63 115.58 121.73 2f76 h ASN 68 Ca 0.09 -0.19 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 2f76 h ASN 68 Cb 0.83 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.96 2f76 h ASN 68 CO 0.07 0.53 0.09 0.74 -1.06 0.00 0.00 177.43 177.80 2f76 h THR 69 N 0.37 1.21 -0.55 2.81 2.02 -1.40 -2.92 112.91 114.45 2f76 h THR 69 Ca 0.11 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2f76 h THR 69 Cb 0.23 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2f76 h THR 69 CO -0.00 0.23 0.20 0.15 0.37 0.00 0.00 175.52 176.46 2f76 h PHE 70 N 0.33 0.86 0.00 3.16 3.57 -1.02 -3.48 116.94 120.36 2f76 h PHE 70 Ca 0.10 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2f76 h PHE 70 Cb 0.26 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2f76 h PHE 70 CO 0.01 0.71 0.00 0.41 -2.23 0.00 0.00 178.31 177.21 2f76 n GLY 71 N -0.76 0.78 2.40 2.40 0.00 0.21 -5.08 105.19 105.15 2f76 n GLY 71 Ca 0.03 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f76 n PRO 72 N 0.00 0.00 -0.10 1.61 -0.02 -0.88 -4.59 135.00 131.02 2f76 n PRO 72 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2f76 n PRO 72 Cb 0.00 -1.05 0.34 0.00 -0.02 0.00 0.00 33.50 32.78 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f76 n GLU 73 N 5.79 1.87 -0.30 -0.52 0.28 -1.26 -3.59 120.64 122.91 2f76 n GLU 73 Ca 0.44 -1.31 0.28 0.00 -0.16 0.00 0.00 57.16 56.42 2f76 n GLU 73 Cb 0.01 -1.41 0.51 0.00 1.43 0.00 0.00 31.44 31.98 2f76 n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2f76 n LYS 74 N 0.54 -0.04 -3.84 3.44 4.81 -1.26 -1.86 118.16 119.94 2f76 n LYS 74 Ca 0.17 1.12 -0.31 0.00 -0.87 0.00 0.00 58.31 58.42 2f76 n LYS 74 Cb 0.38 -2.07 -0.11 0.00 0.02 0.00 0.00 35.03 33.25 2f76 n LYS 74 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2f76 s VAL 75 N -5.19 3.20 0.73 3.15 -7.23 -1.26 -4.62 120.40 109.18 2f76 s VAL 75 Ca -0.07 -3.92 -0.11 0.00 -1.81 0.00 0.00 61.98 56.07 2f76 s VAL 75 Cb 0.28 -3.09 0.03 0.00 0.56 0.00 0.00 36.38 34.16 2f76 s VAL 75 CO 0.66 -0.97 1.08 -2.16 -0.31 0.00 0.00 175.10 173.40 2f76 s PRO 76 N -1.11 2.62 0.41 4.82 0.04 -0.78 -4.63 135.00 136.37 2f76 s PRO 76 Ca 0.23 0.69 0.12 0.00 0.04 0.00 0.00 61.00 62.09 2f76 s PRO 76 Cb -0.10 -1.97 0.86 0.00 0.04 0.00 0.00 34.50 33.32 2f76 s PRO 76 CO -0.12 -1.26 1.92 -0.24 0.04 0.00 0.00 177.00 177.35 2f76 h VAL 77 N -0.82 1.18 -0.45 -0.36 3.04 -1.96 -2.68 116.25 114.20 2f76 h VAL 77 Ca -0.45 -0.85 0.13 0.00 -1.01 0.00 0.00 66.70 64.51 2f76 h VAL 77 Cb 1.24 1.40 -0.02 0.00 -2.01 0.00 0.00 31.29 31.90 2f76 h VAL 77 CO 0.60 0.25 0.96 0.71 -1.01 0.00 0.00 177.57 179.08 2f76 h THR 78 N 0.07 0.04 -0.25 3.17 1.35 -2.00 2.08 112.91 117.37 2f76 h THR 78 Ca 0.01 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.75 2f76 h THR 78 Cb 0.43 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 2f76 h THR 78 CO 0.03 0.00 -0.37 0.00 -0.25 0.00 0.00 175.52 174.93 2f76 h ALA 79 N 0.50 0.90 -0.35 6.62 0.00 -1.86 -2.97 119.26 122.10 2f76 h ALA 79 Ca 0.21 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2f76 h ALA 79 Cb 2.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 2f76 h ALA 79 CO -0.00 0.63 0.08 0.35 0.00 0.00 0.00 179.25 180.31 2f76 h PHE 80 N 0.46 0.14 -0.48 0.00 3.04 0.32 0.15 116.94 120.56 2f76 h PHE 80 Ca 0.05 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 2f76 h PHE 80 Cb 0.85 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 2f76 h PHE 80 CO 0.03 0.03 0.27 0.66 -2.02 0.00 0.00 178.31 177.28 2f76 h SER 81 N 0.21 0.60 -0.92 0.41 4.64 -1.62 -1.96 113.55 114.90 2f76 h SER 81 Ca 0.16 -0.09 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2f76 h SER 81 Cb 0.18 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 2f76 h SER 81 CO -0.20 0.52 0.60 0.22 -0.87 0.00 0.00 176.83 177.10 2f76 h TYR 82 N 0.64 1.10 -0.24 4.77 3.20 -1.24 0.22 116.97 125.42 2f76 h TYR 82 Ca 0.17 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2f76 h TYR 82 Cb 0.05 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 2f76 h TYR 82 CO -0.02 0.62 0.05 2.35 -1.64 0.00 0.00 178.16 179.51 2f76 h TRP 83 N 1.12 0.33 -0.99 -3.82 7.01 -0.00 -2.13 115.95 117.47 2f76 h TRP 83 Ca 0.38 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.42 2f76 h TRP 83 Cb 0.08 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 2f76 h TRP 83 CO -0.00 0.31 0.64 -0.97 -2.79 0.00 0.00 178.44 175.63 2f76 h ASN 84 N 0.33 1.05 -0.97 2.65 -0.73 -0.36 -0.49 115.58 117.06 2f76 h ASN 84 Ca 0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2f76 h ASN 84 Cb 0.15 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 38.47 2f76 h ASN 84 CO -0.00 0.69 0.62 -0.07 -0.37 0.00 0.00 177.43 178.30 2f76 h LEU 85 N 1.20 1.14 -0.54 0.34 -0.00 -1.32 -2.02 115.31 114.10 2f76 h LEU 85 Ca 0.42 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 58.21 2f76 h LEU 85 Cb 0.11 -0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 40.46 2f76 h LEU 85 CO -0.16 0.84 0.18 0.40 -0.00 0.00 0.00 178.44 179.70 2f76 h ILE 86 N 1.33 1.23 -0.76 1.22 2.04 -1.10 -2.67 117.51 118.80 2f76 h ILE 86 Ca 0.35 -0.78 0.17 0.00 1.00 0.00 0.00 64.86 65.61 2f76 h ILE 86 Cb -0.12 0.72 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 2f76 h ILE 86 CO -0.07 0.29 0.00 0.11 0.00 0.00 0.00 178.15 178.48 2f76 h LYS 87 N 0.75 0.10 -0.21 2.37 1.57 -0.54 0.70 116.57 121.31 2f76 h LYS 87 Ca 0.18 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2f76 h LYS 87 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2f76 h LYS 87 CO -0.01 0.06 -0.22 0.93 -0.57 0.00 0.00 179.45 179.65 2f76 h GLU 88 N 0.10 0.37 0.04 3.15 5.08 -1.40 -0.48 114.58 121.43 2f76 h GLU 88 Ca 0.42 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2f76 h GLU 88 Cb 0.74 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2f76 h GLU 88 CO -0.67 0.58 -0.02 1.25 -1.00 0.00 0.00 179.01 179.14 2f76 h LEU 89 N 0.33 -0.05 -0.21 1.33 5.85 0.66 -2.72 115.31 120.51 2f76 h LEU 89 Ca 0.05 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 2f76 h LEU 89 Cb 0.58 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 2f76 h LEU 89 CO 0.04 0.21 -0.35 0.40 -0.34 0.00 0.00 178.44 178.39 2f76 h ILE 90 N -0.30 1.33 -0.77 4.05 2.04 -1.03 -3.05 117.51 119.77 2f76 h ILE 90 Ca -0.01 -1.57 0.17 0.00 1.00 0.00 0.00 64.86 64.46 2f76 h ILE 90 Cb 0.28 1.83 -0.11 0.00 -0.74 0.00 0.00 36.82 38.07 2f76 h ILE 90 CO 0.01 0.49 0.21 0.44 0.00 0.00 0.00 178.15 179.30 2f76 h ASP 91 N 0.29 0.05 -0.68 1.72 3.32 -1.11 0.30 116.42 120.31 2f76 h ASP 91 Ca 0.01 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2f76 h ASP 91 Cb 0.94 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 2f76 h ASP 91 CO 0.08 -0.04 0.30 0.11 -1.72 0.00 0.00 179.24 177.97 2f76 h LYS 92 N 0.29 1.00 -0.78 3.56 1.57 -1.46 -2.70 116.57 118.04 2f76 h LYS 92 Ca 0.45 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2f76 h LYS 92 Cb 0.78 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.89 2f76 h LYS 92 CO -0.53 0.81 0.35 0.87 -0.57 0.00 0.00 179.45 180.39 2f76 h LYS 93 N 0.95 1.14 0.00 3.15 1.57 -0.46 -2.00 116.57 120.93 2f76 h LYS 93 Ca 0.23 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2f76 h LYS 93 Cb 0.16 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2f76 h LYS 93 CO -0.02 0.90 0.59 1.49 -0.57 0.00 0.00 179.45 181.84 2f76 h GLU 94 N 1.11 0.00 -5.35 3.15 4.81 -0.36 -3.11 114.58 114.83 2f76 h GLU 94 Ca 0.27 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.84 2f76 h GLU 94 Cb 0.15 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.21 2f76 h GLU 94 CO -0.03 0.00 -0.87 0.08 -0.73 0.00 0.00 179.01 177.46 2f76 s VAL 95 N -3.43 1.93 -1.35 0.32 1.01 -0.75 -4.74 120.40 113.38 2f76 s VAL 95 Ca -0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2f76 s VAL 95 Cb 0.02 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2f76 s VAL 95 CO 0.08 0.53 0.54 0.59 0.00 0.00 0.00 175.10 176.84 2f76 n ASN 96 N 3.45 -1.12 -4.75 3.32 4.13 -1.26 -4.90 115.26 114.13 2f76 n ASN 96 Ca -0.19 -0.96 -0.36 0.00 1.68 0.00 0.00 54.58 54.75 2f76 n ASN 96 Cb 0.53 -3.37 0.04 0.00 -1.54 0.00 0.00 39.78 35.43 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2f76 s PRO 97 N -6.32 2.96 -0.17 3.52 0.04 -1.17 -4.99 135.00 128.88 2f76 s PRO 97 Ca 0.06 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 2f76 s PRO 97 Cb -0.02 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2f76 s PRO 97 CO 0.86 -1.23 -0.06 -1.14 0.04 0.00 0.00 177.00 175.47 2f76 s GLN 98 N -3.27 3.51 -0.06 4.56 0.74 -1.26 -5.10 119.66 118.77 2f76 s GLN 98 Ca 0.77 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 55.65 2f76 s GLN 98 Cb -0.32 -2.87 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 2f76 s GLN 98 CO 0.35 0.11 -0.24 0.08 -0.55 0.00 0.00 175.29 175.04 2f76 s VAL 99 N 0.68 2.00 -2.24 1.34 1.01 -1.26 -5.22 120.40 116.71 2f76 s VAL 99 Ca -0.03 -1.03 0.30 0.00 0.00 0.00 0.00 61.98 61.22 2f76 s VAL 99 Cb -0.15 -1.70 0.74 0.00 0.00 0.00 0.00 36.38 35.27 2f76 s VAL 99 CO 0.02 0.56 2.00 0.23 0.00 0.00 0.00 175.10 177.90