#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c97 n ALA 15 N 0.00 4.47 0.24 2.12 0.00 -0.85 -4.81 120.51 121.67 2c97 n ALA 15 Ca 0.00 -3.48 0.10 0.00 0.00 0.00 0.00 53.44 50.06 2c97 n ALA 15 Cb 0.00 -0.49 0.51 0.00 0.00 0.00 0.00 19.45 19.47 2c97 n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2c97 n SER 16 N -0.95 0.54 0.00 0.00 3.41 -1.20 -1.79 113.62 113.63 2c97 n SER 16 Ca 0.34 0.71 0.11 0.00 -0.26 0.00 0.00 58.87 59.76 2c97 n SER 16 Cb 0.86 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 2c97 n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c97 n GLY 17 N -0.85 -1.06 3.77 5.00 0.00 -1.26 -4.89 105.19 105.91 2c97 n GLY 17 Ca -0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2c97 n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c97 s VAL 18 N -3.21 3.96 -0.43 1.61 -7.23 -0.74 -5.01 120.40 109.36 2c97 s VAL 18 Ca 0.02 1.69 -0.17 0.00 -1.81 0.00 0.00 61.98 61.71 2c97 s VAL 18 Cb 0.15 -3.97 0.03 0.00 0.56 0.00 0.00 36.38 33.15 2c97 s VAL 18 CO 0.86 0.20 0.43 -0.13 -0.31 0.00 0.00 175.10 176.15 2c97 s ARG 19 N -1.94 3.07 -0.13 4.82 0.52 -1.26 -4.99 118.95 119.05 2c97 s ARG 19 Ca 0.50 -0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 54.83 2c97 s ARG 19 Cb -0.23 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.22 2c97 s ARG 19 CO 0.29 -0.87 0.06 -1.17 0.02 0.00 0.00 175.30 173.62 2c97 s LEU 20 N 2.08 3.86 0.07 2.53 2.96 -1.26 -0.17 118.68 128.75 2c97 s LEU 20 Ca 0.11 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.31 2c97 s LEU 20 Cb -0.18 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2c97 s LEU 20 CO 0.13 0.32 -0.24 0.00 -1.32 0.00 0.00 176.35 175.24 2c97 s ALA 21 N -0.49 2.04 -0.06 5.97 0.00 -0.12 -1.27 121.76 127.82 2c97 s ALA 21 Ca 0.10 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2c97 s ALA 21 Cb -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2c97 s ALA 21 CO 0.02 0.46 -0.08 0.42 0.00 0.00 0.00 175.76 176.58 2c97 s ILE 22 N -0.91 0.88 -0.14 0.00 1.01 0.15 -0.15 121.20 122.04 2c97 s ILE 22 Ca 0.10 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2c97 s ILE 22 Cb -0.10 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2c97 s ILE 22 CO 0.03 0.31 -0.20 0.54 0.00 0.00 0.00 174.94 175.62 2c97 s VAL 23 N 0.94 1.91 -0.07 2.92 0.11 -0.02 -1.12 120.40 125.08 2c97 s VAL 23 Ca -0.10 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2c97 s VAL 23 Cb -0.15 -1.72 -0.00 0.00 -1.53 0.00 0.00 36.38 32.98 2c97 s VAL 23 CO 0.01 0.52 -0.20 0.00 -3.33 0.00 0.00 175.10 172.09 2c97 s ALA 24 N 1.02 1.84 0.95 1.54 0.00 -0.58 -0.35 121.76 126.18 2c97 s ALA 24 Ca -0.03 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 2c97 s ALA 24 Cb -0.15 -0.66 0.18 0.00 0.00 0.00 0.00 23.12 22.50 2c97 s ALA 24 CO -0.05 0.29 1.11 -1.13 0.00 0.00 0.00 175.76 175.97 2c97 n SER 25 N 3.34 0.26 0.00 0.00 3.41 -0.56 -0.87 113.62 119.20 2c97 n SER 25 Ca -0.19 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 2c97 n SER 25 Cb 0.52 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2c97 n SER 25 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c97 n SER 26 N -3.61 0.57 -4.64 4.04 7.64 0.88 -4.74 113.62 113.76 2c97 n SER 26 Ca 0.14 -0.15 -0.44 0.00 1.01 0.00 0.00 58.87 59.43 2c97 n SER 26 Cb 0.50 0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 2c97 n SER 26 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2c97 n TRP 27 N -0.47 2.27 -2.09 1.43 -0.00 -0.32 -1.72 117.44 116.54 2c97 n TRP 27 Ca 0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.50 57.26 2c97 n TRP 27 Cb 0.00 -2.74 0.02 0.00 -0.00 0.00 0.00 31.31 28.59 2c97 n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c97 n HIS 28 N 8.65 -0.65 -0.32 5.87 8.25 -1.26 -4.55 115.22 131.21 2c97 n HIS 28 Ca 0.25 0.24 -0.04 0.00 -0.26 0.00 0.00 57.72 57.91 2c97 n HIS 28 Cb 0.38 -2.92 -0.01 0.00 1.12 0.00 0.00 29.99 28.57 2c97 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c97 n GLY 29 N -1.32 -1.81 0.22 -1.41 0.00 -0.70 -2.53 105.19 97.65 2c97 n GLY 29 Ca -0.04 0.92 -0.08 0.00 0.00 0.00 0.00 46.02 46.82 2c97 n GLY 29 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2c97 h LYS 30 N 0.00 -0.18 -0.74 1.61 3.64 -1.94 0.19 116.57 119.14 2c97 h LYS 30 Ca 0.23 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2c97 h LYS 30 Cb 0.43 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2c97 h LYS 30 CO -0.78 -0.12 0.31 0.82 -2.27 0.00 0.00 179.45 177.41 2c97 h ILE 31 N -0.19 1.25 -0.29 2.00 2.04 -1.89 -2.41 117.51 118.03 2c97 h ILE 31 Ca 0.13 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2c97 h ILE 31 Cb 0.37 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2c97 h ILE 31 CO -0.32 0.31 0.07 0.00 0.00 0.00 0.00 178.15 178.21 2c97 h ASP 33 N 0.30 0.89 -0.32 0.00 3.32 -0.93 -1.40 116.42 118.27 2c97 h ASP 33 Ca 0.09 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2c97 h ASP 33 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2c97 h ASP 33 CO 0.00 0.63 -0.07 0.00 -1.72 0.00 0.00 179.24 178.08 2c97 h ALA 34 N 1.51 0.45 -0.63 3.45 0.00 -0.97 -0.72 119.26 122.34 2c97 h ALA 34 Ca 0.31 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2c97 h ALA 34 Cb -0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2c97 h ALA 34 CO -0.08 0.27 0.37 -0.07 0.00 0.00 0.00 179.25 179.74 2c97 h LEU 35 N 0.40 0.58 -0.70 0.00 3.38 -0.77 -2.18 115.31 116.02 2c97 h LEU 35 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2c97 h LEU 35 Cb 0.56 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2c97 h LEU 35 CO 0.03 0.39 0.39 0.25 0.09 0.00 0.00 178.44 179.59 2c97 h LEU 36 N 0.71 0.88 -0.27 1.67 5.85 -1.04 -1.10 115.31 122.01 2c97 h LEU 36 Ca 0.27 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2c97 h LEU 36 Cb 0.09 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2c97 h LEU 36 CO -0.14 0.72 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.87 2c97 h ASP 37 N 0.97 -0.19 -0.35 1.25 -0.00 -0.85 0.51 116.42 117.77 2c97 h ASP 37 Ca 0.25 0.07 0.05 0.00 -0.00 0.00 0.00 57.03 57.40 2c97 h ASP 37 Cb 0.04 0.14 -0.04 0.00 -0.00 0.00 0.00 39.33 39.47 2c97 h ASP 37 CO -0.04 -0.06 0.08 1.23 -0.00 0.00 0.00 179.24 180.45 2c97 h GLY 38 N 0.04 0.41 0.90 -0.78 0.00 -0.91 -1.32 103.07 101.41 2c97 h GLY 38 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.45 2c97 h GLY 38 CO -0.25 -0.01 0.22 0.00 0.00 0.00 0.00 176.54 176.49 2c97 h ALA 39 N 1.25 0.47 -0.26 3.60 0.00 -0.79 -2.46 119.26 121.07 2c97 h ALA 39 Ca 0.16 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2c97 h ALA 39 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2c97 h ALA 39 CO -0.20 -0.13 -0.30 0.00 0.00 0.00 0.00 179.25 178.62 2c97 h ARG 40 N 0.44 0.54 -0.11 0.00 3.08 -0.61 -1.70 114.38 116.03 2c97 h ARG 40 Ca 0.15 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2c97 h ARG 40 Cb 0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2c97 h ARG 40 CO -0.07 0.78 -0.03 0.87 -1.07 0.00 0.00 179.97 180.45 2c97 h LYS 41 N 0.47 0.21 -0.46 0.04 1.57 -1.11 0.18 116.57 117.46 2c97 h LYS 41 Ca 0.06 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2c97 h LYS 41 Cb 0.75 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 2c97 h LYS 41 CO 0.06 0.51 0.19 0.28 -0.57 0.00 0.00 179.45 179.92 2c97 h VAL 42 N -0.11 0.90 -0.30 0.50 2.07 -1.38 0.11 116.25 118.03 2c97 h VAL 42 Ca 0.03 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2c97 h VAL 42 Cb 0.43 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2c97 h VAL 42 CO 0.01 0.07 0.03 0.00 0.02 0.00 0.00 177.57 177.70 2c97 h ALA 43 N 1.28 0.29 -0.42 1.67 0.00 -1.18 -1.84 119.26 119.06 2c97 h ALA 43 Ca 0.21 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 2c97 h ALA 43 Cb 0.17 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2c97 h ALA 43 CO -0.19 -0.38 -0.24 0.00 0.00 0.00 0.00 179.25 178.44 2c97 h ALA 44 N 1.25 0.79 0.00 0.00 0.00 -0.46 0.14 119.26 120.97 2c97 h ALA 44 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2c97 h ALA 44 Cb 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2c97 h ALA 44 CO -0.22 0.65 -0.04 0.78 0.00 0.00 0.00 179.25 180.43 2c97 h GLY 45 N 0.93 0.00 -2.48 0.00 0.00 -0.54 -2.20 103.07 98.77 2c97 h GLY 45 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2c97 h GLY 45 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2c97 n GLY 47 N 1.57 0.55 3.24 0.00 0.00 -0.83 -2.02 105.19 107.71 2c97 n GLY 47 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2c97 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c97 s LEU 48 N 0.00 5.96 0.30 0.99 1.43 0.44 -4.70 118.68 123.09 2c97 s LEU 48 Ca 0.00 -2.22 0.22 0.00 -1.03 0.00 0.00 54.13 51.10 2c97 s LEU 48 Cb 0.00 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.29 2c97 s LEU 48 CO 0.00 -0.65 1.28 0.44 0.23 0.00 0.00 176.35 177.65 2c97 h ASP 49 N 8.15 0.00 -2.18 2.29 3.32 -1.86 -2.73 116.42 123.41 2c97 h ASP 49 Ca -0.12 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.35 2c97 h ASP 49 Cb 1.05 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.21 2c97 h ASP 49 CO 0.84 0.04 -1.01 -0.67 -1.72 0.00 0.00 179.24 176.72 2c97 n ASP 50 N -2.87 0.29 -4.71 6.45 -0.08 -1.26 -4.98 116.55 109.39 2c97 n ASP 50 Ca 0.01 -2.65 -0.29 0.00 -1.51 0.00 0.00 54.79 50.35 2c97 n ASP 50 Cb 0.56 -0.62 0.15 0.00 2.34 0.00 0.00 41.12 43.56 2c97 n ASP 50 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2c97 s PRO 51 N -0.85 0.87 -0.29 -0.67 0.04 -1.26 -4.98 135.00 127.86 2c97 s PRO 51 Ca 0.34 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.72 2c97 s PRO 51 Cb 0.12 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.89 2c97 s PRO 51 CO -0.14 -2.46 1.04 0.99 0.04 0.00 0.00 177.00 176.48 2c97 s THR 52 N -2.98 4.59 -0.14 1.26 2.01 -0.39 -4.96 115.64 115.02 2c97 s THR 52 Ca 0.64 1.81 -0.00 0.00 0.31 0.00 0.00 61.69 64.45 2c97 s THR 52 Cb -0.18 -4.36 -0.01 0.00 0.01 0.00 0.00 72.50 67.96 2c97 s THR 52 CO 0.57 -0.36 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 2c97 s VAL 53 N 3.45 2.98 -0.03 3.82 1.01 -1.26 0.31 120.40 130.68 2c97 s VAL 53 Ca 0.44 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2c97 s VAL 53 Cb -0.13 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 2c97 s VAL 53 CO 0.12 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.92 2c97 s VAL 54 N 0.55 1.05 -0.15 2.92 1.01 -0.27 -4.99 120.40 120.52 2c97 s VAL 54 Ca -0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2c97 s VAL 54 Cb -0.16 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2c97 s VAL 54 CO 0.04 0.31 0.13 -0.13 0.00 0.00 0.00 175.10 175.45 2c97 s ARG 55 N 0.02 3.72 0.31 2.72 1.81 -1.26 -1.53 118.95 124.74 2c97 s ARG 55 Ca -0.01 -0.18 0.08 0.00 -1.72 0.00 0.00 55.73 53.91 2c97 s ARG 55 Cb -0.09 -3.27 -0.06 0.00 -0.45 0.00 0.00 34.95 31.09 2c97 s ARG 55 CO 0.01 0.58 -0.08 0.14 -0.68 0.00 0.00 175.30 175.27 2c97 s VAL 56 N -0.47 1.99 0.00 3.52 -7.23 -0.05 -4.95 120.40 113.21 2c97 s VAL 56 Ca 0.12 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2c97 s VAL 56 Cb -0.12 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2c97 s VAL 56 CO 0.02 -0.26 0.71 0.25 -0.31 0.00 0.00 175.10 175.51 2c97 h LEU 57 N 2.15 -0.13 -9.52 1.32 5.85 -1.92 -1.22 115.31 111.85 2c97 h LEU 57 Ca -0.41 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.75 2c97 h LEU 57 Cb 1.24 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 2c97 h LEU 57 CO 0.68 -0.06 -0.56 -0.83 -0.34 0.00 0.00 178.44 177.33 2c97 s GLY 58 N -1.56 2.49 0.51 3.75 0.00 -1.26 -0.09 107.32 111.17 2c97 s GLY 58 Ca -0.02 -1.51 0.18 0.00 0.00 0.00 0.00 44.72 43.36 2c97 s GLY 58 CO 0.07 -1.94 2.09 0.00 0.00 0.00 0.00 173.10 173.31 2c97 h ALA 59 N 1.81 2.13 0.00 3.20 0.00 -1.93 -1.39 119.26 123.08 2c97 h ALA 59 Ca -0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2c97 h ALA 59 Cb 1.27 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2c97 h ALA 59 CO 0.68 -0.18 -0.03 0.82 0.00 0.00 0.00 179.25 180.54 2c97 h ILE 60 N 0.07 0.14 0.00 0.00 1.08 -1.96 -2.37 117.51 114.47 2c97 h ILE 60 Ca 0.11 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2c97 h ILE 60 Cb 0.33 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2c97 h ILE 60 CO -0.01 0.03 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.10 2c97 h GLU 61 N 0.00 0.00 -0.14 2.37 3.07 -1.66 -3.39 114.58 114.83 2c97 h GLU 61 Ca -0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2c97 h GLU 61 Cb 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 2c97 h GLU 61 CO 0.00 0.00 0.02 0.82 -1.40 0.00 0.00 179.01 178.46 2c97 h ILE 62 N 0.00 0.94 -0.65 3.13 2.04 -1.52 -3.10 117.51 118.34 2c97 h ILE 62 Ca 0.00 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2c97 h ILE 62 Cb 0.91 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 2c97 h ILE 62 CO 0.00 0.02 0.31 -0.65 0.00 0.00 0.00 178.15 177.83 2c97 h PRO 63 N 0.08 0.94 -0.52 2.37 0.11 -1.78 0.46 132.00 133.66 2c97 h PRO 63 Ca 0.06 -0.14 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2c97 h PRO 63 Cb 0.06 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 2c97 h PRO 63 CO -0.09 0.75 0.20 -0.24 -0.21 0.00 0.00 178.00 178.42 2c97 h VAL 64 N 0.90 1.20 0.09 3.15 3.04 -1.84 0.38 116.25 123.16 2c97 h VAL 64 Ca 0.22 -0.62 -0.23 0.00 -1.01 0.00 0.00 66.70 65.07 2c97 h VAL 64 Cb 0.12 0.58 0.02 0.00 -2.01 0.00 0.00 31.29 30.01 2c97 h VAL 64 CO -0.03 0.24 -0.93 0.58 -1.01 0.00 0.00 177.57 176.42 2c97 h VAL 65 N 0.75 1.39 -0.79 1.51 2.07 -1.32 -3.02 116.25 116.83 2c97 h VAL 65 Ca 0.18 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.39 2c97 h VAL 65 Cb 0.16 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 2c97 h VAL 65 CO -0.02 0.70 0.52 0.00 0.02 0.00 0.00 177.57 178.79 2c97 h ALA 66 N 0.24 1.57 -0.60 1.67 0.00 0.13 -0.91 119.26 121.36 2c97 h ALA 66 Ca -0.14 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2c97 h ALA 66 Cb 1.66 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2c97 h ALA 66 CO 0.18 0.33 0.33 0.37 0.00 0.00 0.00 179.25 180.46 2c97 h GLN 67 N 0.92 0.60 -0.58 0.00 4.15 -0.22 -0.76 115.11 119.22 2c97 h GLN 67 Ca 0.33 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.61 2c97 h GLN 67 Cb 0.13 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2c97 h GLN 67 CO -0.10 0.40 -0.01 1.49 -1.93 0.00 0.00 178.83 178.68 2c97 h GLU 68 N 0.62 1.03 -0.09 1.69 4.57 -1.09 -3.15 114.58 118.16 2c97 h GLU 68 Ca 0.27 -0.33 -0.11 0.00 -1.18 0.00 0.00 59.36 58.00 2c97 h GLU 68 Cb 0.15 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2c97 h GLU 68 CO -0.17 1.02 -0.43 -0.07 -1.18 0.00 0.00 179.01 178.18 2c97 h LEU 69 N 0.93 0.22 -1.98 1.64 3.38 -0.89 -2.87 115.31 115.73 2c97 h LEU 69 Ca 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2c97 h LEU 69 Cb 0.56 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2c97 h LEU 69 CO 0.03 0.63 -0.08 0.00 0.09 0.00 0.00 178.44 179.11 2c97 h ALA 70 N 1.38 1.18 0.00 1.53 0.00 -1.10 -2.45 119.26 119.79 2c97 h ALA 70 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2c97 h ALA 70 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2c97 h ALA 70 CO 0.07 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.96 2c97 n ARG 71 N -3.45 0.04 -0.26 0.00 1.74 -1.08 -3.80 116.66 109.85 2c97 n ARG 71 Ca -0.01 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2c97 n ARG 71 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2c97 n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2c97 n ASN 72 N -1.46 0.00 -3.79 0.55 4.05 -0.94 -5.10 115.26 108.58 2c97 n ASN 72 Ca 0.04 -1.42 -0.10 0.00 0.45 0.00 0.00 54.58 53.55 2c97 n ASN 72 Cb 0.15 -0.08 -0.07 0.00 1.23 0.00 0.00 39.78 41.01 2c97 n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2c97 s HIS 73 N 0.00 0.00 -0.55 1.20 3.76 -1.14 -4.99 115.29 113.57 2c97 s HIS 73 Ca 0.00 -0.30 0.24 0.00 -0.15 0.00 0.00 55.06 54.85 2c97 s HIS 73 Cb 0.00 0.04 0.34 0.00 1.11 0.00 0.00 32.58 34.07 2c97 s HIS 73 CO 0.00 -0.54 1.35 -0.44 -0.85 0.00 0.00 174.74 174.26 2c97 h ASP 74 N 2.93 0.00 -4.00 1.40 3.32 -0.90 -3.46 116.42 115.72 2c97 h ASP 74 Ca -0.33 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 2c97 h ASP 74 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 2c97 h ASP 74 CO 0.50 0.06 0.10 0.00 -1.72 0.00 0.00 179.24 178.19 2c97 s ALA 75 N -3.20 -1.72 -0.10 3.45 0.00 -1.13 -4.10 121.76 114.97 2c97 s ALA 75 Ca 0.06 1.95 0.04 0.00 0.00 0.00 0.00 51.96 54.01 2c97 s ALA 75 Cb 0.12 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 2c97 s ALA 75 CO 0.71 -0.33 -0.23 0.08 0.00 0.00 0.00 175.76 175.99 2c97 s VAL 76 N 0.36 2.13 -0.26 0.00 1.01 -0.39 -0.95 120.40 122.31 2c97 s VAL 76 Ca -0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 2c97 s VAL 76 Cb -0.05 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2c97 s VAL 76 CO 0.01 0.56 0.13 -0.69 0.00 0.00 0.00 175.10 175.11 2c97 s VAL 77 N 0.32 4.90 -0.25 2.92 1.01 0.79 -0.19 120.40 129.91 2c97 s VAL 77 Ca -0.18 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2c97 s VAL 77 Cb -0.18 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2c97 s VAL 77 CO 0.09 0.31 0.33 0.00 0.00 0.00 0.00 175.10 175.83 2c97 s ALA 78 N 1.52 3.57 -0.02 5.51 0.00 -0.72 -0.84 121.76 130.77 2c97 s ALA 78 Ca 0.06 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2c97 s ALA 78 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2c97 s ALA 78 CO 0.07 -0.48 -0.24 -0.51 0.00 0.00 0.00 175.76 174.60 2c97 s LEU 79 N 1.68 2.04 0.00 0.00 1.43 0.52 -0.95 118.68 123.41 2c97 s LEU 79 Ca 0.14 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2c97 s LEU 79 Cb -0.15 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.82 2c97 s LEU 79 CO 0.09 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2c97 n GLY 80 N 2.56 -0.24 2.69 -3.19 0.00 -1.13 -1.49 105.19 104.39 2c97 n GLY 80 Ca -0.16 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 2c97 n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c97 s VAL 81 N -2.00 0.08 -0.22 1.61 1.01 -1.26 -0.98 120.40 118.65 2c97 s VAL 81 Ca 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 2c97 s VAL 81 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.97 2c97 s VAL 81 CO 0.00 0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.33 2c97 s VAL 82 N 2.08 2.50 -0.13 2.92 1.01 0.74 -4.88 120.40 124.65 2c97 s VAL 82 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2c97 s VAL 82 Cb -0.14 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2c97 s VAL 82 CO -0.05 0.34 -0.14 -0.63 0.00 0.00 0.00 175.10 174.62 2c97 s ILE 83 N 1.30 2.93 0.33 2.22 1.01 -1.26 -0.88 121.20 126.85 2c97 s ILE 83 Ca 0.02 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 2c97 s ILE 83 Cb -0.15 -2.22 -0.11 0.00 0.01 0.00 0.00 42.46 39.99 2c97 s ILE 83 CO -0.08 0.53 1.52 -1.14 0.00 0.00 0.00 174.94 175.77 2c97 n ARG 84 N 3.51 2.63 0.00 2.79 0.63 0.14 -4.95 116.66 121.41 2c97 n ARG 84 Ca -0.18 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 2c97 n ARG 84 Cb 0.53 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.77 2c97 n ARG 84 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2c97 n GLY 85 N 1.26 3.57 0.18 5.14 0.00 -1.26 -4.85 105.19 109.23 2c97 n GLY 85 Ca 0.05 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.40 2c97 n GLY 85 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2c97 h GLN 86 N 0.00 0.00 -5.93 1.61 4.20 -2.02 -3.48 115.11 109.49 2c97 h GLN 86 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2c97 h GLN 86 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 2c97 h GLN 86 CO 0.00 0.00 -0.54 0.95 -0.67 0.00 0.00 178.83 178.57 2c97 s THR 87 N -3.24 2.45 -1.08 -0.54 -4.23 -1.26 -5.00 115.64 102.75 2c97 s THR 87 Ca 0.05 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2c97 s THR 87 Cb 0.07 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2c97 s THR 87 CO 0.70 -0.07 0.97 -2.65 -0.54 0.00 0.00 174.62 173.03 2c97 n PRO 88 N -1.14 0.00 -0.30 3.99 -0.02 -1.26 -4.00 135.00 132.27 2c97 n PRO 88 Ca -0.02 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2c97 n PRO 88 Cb 0.64 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.91 2c97 n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c97 h HIS 89 N 0.00 0.44 -0.94 6.00 2.76 -1.96 0.20 115.15 121.65 2c97 h HIS 89 Ca 0.00 0.05 0.23 0.00 -2.20 0.00 0.00 60.37 58.45 2c97 h HIS 89 Cb 0.00 -0.06 -0.13 0.00 1.55 0.00 0.00 27.41 28.78 2c97 h HIS 89 CO 0.00 -0.16 0.47 0.35 -1.30 0.00 0.00 177.93 177.30 2c97 h PHE 90 N 0.27 0.79 -0.43 5.26 3.57 -1.93 -1.53 116.94 122.94 2c97 h PHE 90 Ca 0.55 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 62.08 2c97 h PHE 90 Cb 1.08 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2c97 h PHE 90 CO -0.22 -0.01 0.23 -0.44 -2.23 0.00 0.00 178.31 175.64 2c97 h ASP 91 N 0.46 0.53 0.85 0.41 3.32 -1.26 -1.21 116.42 119.52 2c97 h ASP 91 Ca 0.60 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.38 2c97 h ASP 91 Cb 1.14 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2c97 h ASP 91 CO -0.51 0.47 -0.81 1.88 -1.72 0.00 0.00 179.24 178.55 2c97 h TYR 92 N 0.56 0.00 -0.51 4.55 0.05 -1.40 0.91 116.97 121.12 2c97 h TYR 92 Ca 0.15 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 2c97 h TYR 92 Cb 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2c97 h TYR 92 CO -0.02 0.81 -0.14 0.28 -1.05 0.00 0.00 178.16 178.04 2c97 h VAL 93 N 0.00 1.27 -0.23 -2.88 2.07 -1.15 -1.13 116.25 114.19 2c97 h VAL 93 Ca -0.01 -1.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.09 2c97 h VAL 93 Cb 1.46 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2c97 h VAL 93 CO 0.11 0.45 -0.37 0.00 0.02 0.00 0.00 177.57 177.78 2c97 h ASP 95 N 0.37 -0.41 -0.21 0.00 3.32 -0.80 -0.75 116.42 117.93 2c97 h ASP 95 Ca 0.02 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2c97 h ASP 95 Cb 0.96 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2c97 h ASP 95 CO 0.08 -0.14 0.09 0.00 -1.72 0.00 0.00 179.24 177.55 2c97 h ALA 96 N 1.46 0.27 -0.83 3.45 0.00 -1.03 -1.30 119.26 121.29 2c97 h ALA 96 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2c97 h ALA 96 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2c97 h ALA 96 CO -0.47 -0.15 0.47 0.28 0.00 0.00 0.00 179.25 179.38 2c97 h VAL 97 N 0.19 1.24 0.04 0.00 2.07 -1.27 -1.06 116.25 117.46 2c97 h VAL 97 Ca 0.07 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2c97 h VAL 97 Cb 0.16 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2c97 h VAL 97 CO -0.01 0.26 -0.02 0.74 0.02 0.00 0.00 177.57 178.57 2c97 h THR 98 N 1.15 1.02 -0.56 2.57 2.02 -0.81 -1.29 112.91 117.00 2c97 h THR 98 Ca 0.29 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2c97 h THR 98 Cb 0.00 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2c97 h THR 98 CO -0.05 0.04 0.30 1.56 0.37 0.00 0.00 175.52 177.74 2c97 h GLN 99 N -0.12 0.78 0.43 6.66 4.20 -1.09 -2.77 115.11 123.20 2c97 h GLN 99 Ca -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2c97 h GLN 99 Cb 0.11 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2c97 h GLN 99 CO 0.01 0.61 -0.21 0.78 -0.67 0.00 0.00 178.83 179.35 2c97 h GLY 100 N 0.75 -0.61 1.20 3.46 0.00 -1.02 -1.55 103.07 105.31 2c97 h GLY 100 Ca 0.20 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 2c97 h GLY 100 CO -0.03 -0.22 0.40 1.41 0.00 0.00 0.00 176.54 178.10 2c97 h LEU 101 N -0.77 0.93 -0.61 3.11 3.38 -1.30 0.20 115.31 120.26 2c97 h LEU 101 Ca -0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2c97 h LEU 101 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2c97 h LEU 101 CO 0.10 0.76 0.23 0.74 0.09 0.00 0.00 178.44 180.35 2c97 h THR 102 N 1.05 1.23 -0.26 0.22 2.02 -1.48 -0.30 112.91 115.39 2c97 h THR 102 Ca 0.26 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2c97 h THR 102 Cb 0.04 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2c97 h THR 102 CO -0.04 0.29 0.09 -0.09 0.37 0.00 0.00 175.52 176.14 2c97 h ARG 103 N 0.85 0.40 -0.43 6.66 1.12 -0.18 -2.80 114.38 120.00 2c97 h ARG 103 Ca 0.20 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 58.97 2c97 h ARG 103 Cb 0.23 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 2c97 h ARG 103 CO -0.01 0.46 0.18 0.28 -3.11 0.00 0.00 179.97 177.77 2c97 h VAL 104 N 0.26 1.19 -0.28 0.20 2.07 -0.45 0.22 116.25 119.46 2c97 h VAL 104 Ca 0.09 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2c97 h VAL 104 Cb 0.22 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2c97 h VAL 104 CO -0.00 0.22 0.12 0.77 0.02 0.00 0.00 177.57 178.69 2c97 h SER 105 N 0.56 0.16 0.22 0.57 4.64 -1.00 -1.64 113.55 117.04 2c97 h SER 105 Ca 0.15 0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.25 2c97 h SER 105 Cb 0.17 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2c97 h SER 105 CO -0.01 0.13 -0.98 -0.07 -0.87 0.00 0.00 176.83 175.02 2c97 h LEU 106 N 0.26 0.67 -0.79 5.97 3.38 -1.34 0.93 115.31 124.39 2c97 h LEU 106 Ca 0.12 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.62 2c97 h LEU 106 Cb 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 2c97 h LEU 106 CO -0.11 1.34 0.47 0.44 0.09 0.00 0.00 178.44 180.67 2c97 h ASP 107 N 0.29 0.71 0.04 -0.43 3.45 -0.90 -2.92 116.42 116.67 2c97 h ASP 107 Ca -0.10 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2c97 h ASP 107 Cb 1.62 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 40.27 2c97 h ASP 107 CO 0.18 0.45 -0.27 -1.54 -1.57 0.00 0.00 179.24 176.49 2c97 n SER 108 N -4.70 1.93 -4.03 6.45 3.41 -0.62 -4.98 113.62 111.07 2c97 n SER 108 Ca 0.11 -1.47 -0.27 0.00 -0.26 0.00 0.00 58.87 56.98 2c97 n SER 108 Cb 0.20 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2c97 n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c97 n SER 109 N 0.14 -0.53 -3.89 4.04 7.64 0.21 -4.98 113.62 116.25 2c97 n SER 109 Ca 0.12 -1.04 -0.17 0.00 1.01 0.00 0.00 58.87 58.79 2c97 n SER 109 Cb 0.45 -2.83 -0.16 0.00 -1.01 0.00 0.00 64.21 60.67 2c97 n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c97 s THR 110 N -3.93 0.34 0.16 0.44 2.01 -0.51 -5.03 115.64 109.12 2c97 s THR 110 Ca 0.10 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 2c97 s THR 110 Cb -0.05 -0.36 -0.11 0.00 0.01 0.00 0.00 72.50 71.99 2c97 s THR 110 CO 0.91 0.15 1.76 -2.84 -0.69 0.00 0.00 174.62 173.91 2c97 s PRO 111 N 0.56 4.14 -0.36 4.92 0.02 -1.26 -4.35 135.00 138.66 2c97 s PRO 111 Ca -0.06 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 2c97 s PRO 111 Cb -0.09 -3.34 0.09 0.00 0.02 0.00 0.00 34.50 31.17 2c97 s PRO 111 CO -0.01 -0.78 0.11 0.42 -0.33 0.00 0.00 177.00 176.41 2c97 s ILE 112 N 1.96 3.01 0.30 2.83 -1.09 -1.26 -1.26 121.20 125.69 2c97 s ILE 112 Ca 0.77 -1.87 -0.28 0.00 -2.23 0.00 0.00 60.65 57.05 2c97 s ILE 112 Cb -0.47 -2.97 -0.09 0.00 -1.58 0.00 0.00 42.46 37.34 2c97 s ILE 112 CO 0.34 -0.47 0.97 0.00 -1.23 0.00 0.00 174.94 174.55 2c97 s ALA 113 N 1.14 3.26 -0.80 9.38 0.00 0.74 -4.90 121.76 130.59 2c97 s ALA 113 Ca 0.04 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 2c97 s ALA 113 Cb -0.21 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 19.79 2c97 s ALA 113 CO -0.04 0.12 1.06 1.21 0.00 0.00 0.00 175.76 178.11 2c97 s ASN 114 N -1.40 6.39 -0.23 0.00 3.04 -1.26 -1.75 114.94 119.73 2c97 s ASN 114 Ca 0.47 -1.48 0.10 0.00 0.04 0.00 0.00 52.86 51.99 2c97 s ASN 114 Cb -0.23 -2.42 0.44 0.00 -1.54 0.00 0.00 41.25 37.50 2c97 s ASN 114 CO 0.28 -1.27 1.26 0.61 -3.04 0.00 0.00 177.10 174.94 2c97 n GLY 115 N 5.49 5.25 3.32 1.21 0.00 -0.13 -4.53 105.19 115.80 2c97 n GLY 115 Ca 0.10 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 2c97 n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c97 s VAL 116 N -3.39 4.69 0.22 1.61 1.01 -1.22 -2.84 120.40 120.47 2c97 s VAL 116 Ca 0.40 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2c97 s VAL 116 Cb 0.38 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 2c97 s VAL 116 CO -0.05 -0.55 1.31 -0.76 0.00 0.00 0.00 175.10 175.05 2c97 s LEU 117 N 1.52 4.42 -0.37 3.92 1.43 -0.15 -4.93 118.68 124.53 2c97 s LEU 117 Ca 0.03 2.45 0.01 0.00 -1.03 0.00 0.00 54.13 55.59 2c97 s LEU 117 Cb -0.24 -3.62 0.11 0.00 0.03 0.00 0.00 46.19 42.48 2c97 s LEU 117 CO 0.04 -0.53 0.15 0.42 0.23 0.00 0.00 176.35 176.66 2c97 s THR 118 N -0.06 1.26 0.35 5.49 -4.23 -1.26 -0.19 115.64 117.01 2c97 s THR 118 Ca 0.56 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2c97 s THR 118 Cb -0.37 -1.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 2c97 s THR 118 CO 0.40 -0.75 -0.08 0.42 -0.54 0.00 0.00 174.62 174.07 2c97 s THR 119 N 1.02 2.15 -0.01 3.99 -4.23 -0.06 -5.02 115.64 113.48 2c97 s THR 119 Ca 0.13 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 2c97 s THR 119 Cb -0.20 -2.67 -0.24 0.00 1.34 0.00 0.00 72.50 70.73 2c97 s THR 119 CO -0.13 -0.19 0.78 0.78 -0.54 0.00 0.00 174.62 175.32 2c97 h ASN 120 N 2.02 0.09 -4.22 3.99 2.35 -1.92 0.43 115.58 118.31 2c97 h ASN 120 Ca -0.42 -0.15 -0.30 0.00 -0.55 0.00 0.00 56.30 54.88 2c97 h ASN 120 Cb 1.25 -0.03 -0.15 0.00 0.05 0.00 0.00 38.32 39.44 2c97 h ASN 120 CO 0.71 1.13 -0.69 0.42 -1.65 0.00 0.00 177.43 177.35 2c97 s THR 121 N -2.62 0.94 0.15 2.81 -4.23 -1.26 -4.16 115.64 107.28 2c97 s THR 121 Ca -0.06 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 2c97 s THR 121 Cb 0.08 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 72.01 2c97 s THR 121 CO 0.82 -0.67 1.80 -0.08 -0.54 0.00 0.00 174.62 175.95 2c97 h GLU 122 N 2.77 0.45 -0.82 3.99 4.81 -1.95 -2.95 114.58 120.87 2c97 h GLU 122 Ca -0.36 -0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.04 2c97 h GLU 122 Cb 1.19 -0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 2c97 h GLU 122 CO 0.64 0.30 0.09 0.93 -0.73 0.00 0.00 179.01 180.24 2c97 h GLU 123 N 0.46 0.13 -0.40 1.92 5.08 -1.99 -0.21 114.58 119.57 2c97 h GLU 123 Ca 0.15 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2c97 h GLU 123 Cb -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2c97 h GLU 123 CO -0.06 0.09 0.08 1.96 -1.00 0.00 0.00 179.01 180.07 2c97 h GLN 124 N 0.14 0.66 -0.44 2.33 4.20 -1.94 -1.53 115.11 118.53 2c97 h GLN 124 Ca 0.48 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 2c97 h GLN 124 Cb 0.91 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 2c97 h GLN 124 CO -0.68 0.70 0.08 0.00 -0.67 0.00 0.00 178.83 178.26 2c97 h ALA 125 N 0.93 0.58 -0.61 3.87 0.00 -1.21 -2.68 119.26 120.15 2c97 h ALA 125 Ca 0.12 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2c97 h ALA 125 Cb 0.35 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2c97 h ALA 125 CO 0.01 0.29 0.35 -0.07 0.00 0.00 0.00 179.25 179.82 2c97 h LEU 126 N 0.58 0.54 -1.34 0.00 3.38 -1.01 -1.81 115.31 115.65 2c97 h LEU 126 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2c97 h LEU 126 Cb 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2c97 h LEU 126 CO 0.01 0.37 0.00 -0.78 0.09 0.00 0.00 178.44 178.12 2c97 h ASP 127 N 0.67 0.00 -0.19 -0.43 3.58 -1.05 -2.60 116.42 116.40 2c97 h ASP 127 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2c97 h ASP 127 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2c97 h ASP 127 CO -0.14 0.00 0.00 0.54 -2.88 0.00 0.00 179.24 176.76 2c97 n ARG 128 N -2.38 2.72 -0.21 0.28 1.74 -0.72 -1.69 116.66 116.41 2c97 n ARG 128 Ca -0.00 -2.13 0.07 0.00 -0.77 0.00 0.00 57.85 55.02 2c97 n ARG 128 Cb 0.12 -1.35 0.19 0.00 -1.02 0.00 0.00 32.46 30.40 2c97 n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c97 n ALA 129 N -0.21 2.26 -2.21 7.54 0.00 -0.98 -1.26 120.51 125.65 2c97 n ALA 129 Ca 0.11 -1.12 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 2c97 n ALA 129 Cb 0.50 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 2c97 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c97 n GLY 130 N 0.85 -0.10 3.69 0.00 0.00 -0.63 -3.87 105.19 105.13 2c97 n GLY 130 Ca 0.15 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2c97 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c97 s LEU 131 N -4.12 1.77 0.27 0.99 2.01 -1.26 -4.90 118.68 113.44 2c97 s LEU 131 Ca 0.00 1.26 -0.05 0.00 0.01 0.00 0.00 54.13 55.35 2c97 s LEU 131 Cb 0.00 -3.50 0.53 0.00 0.01 0.00 0.00 46.19 43.23 2c97 s LEU 131 CO 0.00 -3.00 1.61 -0.65 1.01 0.00 0.00 176.35 175.32 2c97 h PRO 132 N -1.80 0.06 -0.59 1.29 0.11 -1.96 -2.04 132.00 127.07 2c97 h PRO 132 Ca -0.53 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2c97 h PRO 132 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2c97 h PRO 132 CO 0.57 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 2c97 n THR 133 N -5.43 2.19 -2.43 -1.15 -2.24 -1.26 -4.97 114.28 98.98 2c97 n THR 133 Ca 0.17 -1.33 -0.40 0.00 -2.27 0.00 0.00 64.05 60.23 2c97 n THR 133 Cb 0.56 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 2c97 n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c97 s SER 134 N -0.96 7.07 0.18 3.42 0.01 -0.77 -4.96 113.70 117.70 2c97 s SER 134 Ca 0.51 2.28 -0.09 0.00 1.31 0.00 0.00 55.95 59.96 2c97 s SER 134 Cb 0.36 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 64.05 2c97 s SER 134 CO 0.20 -0.29 1.68 0.00 0.41 0.00 0.00 173.24 175.25 2c97 h ALA 135 N 3.46 0.86 -3.87 1.44 0.00 -1.65 -3.47 119.26 116.03 2c97 h ALA 135 Ca -0.47 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 53.92 2c97 h ALA 135 Cb 1.22 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2c97 h ALA 135 CO 0.66 0.61 -0.14 -0.85 0.00 0.00 0.00 179.25 179.53 2c97 n GLU 136 N -4.25 0.60 -3.56 0.00 0.28 -0.93 -5.06 120.64 107.73 2c97 n GLU 136 Ca 0.04 -2.43 -0.29 0.00 -0.16 0.00 0.00 57.16 54.31 2c97 n GLU 136 Cb 0.28 2.33 -0.12 0.00 1.43 0.00 0.00 31.44 35.36 2c97 n GLU 136 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2c97 s ASP 137 N -2.88 3.24 0.43 -1.84 -1.08 -1.26 -1.61 116.67 111.67 2c97 s ASP 137 Ca 0.25 -2.31 0.09 0.00 -0.52 0.00 0.00 52.55 50.06 2c97 s ASP 137 Cb -0.01 -0.63 0.93 0.00 -1.46 0.00 0.00 42.92 41.76 2c97 s ASP 137 CO 0.18 -0.30 2.07 0.50 0.52 0.00 0.00 175.17 178.14 2c97 h LYS 138 N 6.97 0.42 -0.46 4.34 3.64 -1.51 -1.49 116.57 128.47 2c97 h LYS 138 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2c97 h LYS 138 Cb 0.96 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2c97 h LYS 138 CO 0.35 0.29 0.27 0.78 -2.27 0.00 0.00 179.45 178.87 2c97 h GLY 139 N 0.46 0.68 0.93 5.01 0.00 -1.81 0.15 103.07 108.48 2c97 h GLY 139 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2c97 h GLY 139 CO -0.02 0.28 0.05 0.00 0.00 0.00 0.00 176.54 176.85 2c97 h ALA 140 N 1.12 0.12 -0.49 3.60 0.00 -1.53 -2.61 119.26 119.47 2c97 h ALA 140 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2c97 h ALA 140 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2c97 h ALA 140 CO -0.03 -0.34 0.31 1.96 0.00 0.00 0.00 179.25 181.15 2c97 h GLN 141 N 0.06 0.66 -0.53 0.00 4.20 -1.05 -1.82 115.11 116.63 2c97 h GLN 141 Ca 0.03 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2c97 h GLN 141 Cb 0.08 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2c97 h GLN 141 CO -0.01 0.46 0.10 0.00 -0.67 0.00 0.00 178.83 178.72 2c97 h ALA 142 N 1.16 1.19 -0.29 3.87 0.00 -0.72 -2.07 119.26 122.40 2c97 h ALA 142 Ca 0.18 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2c97 h ALA 142 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2c97 h ALA 142 CO -0.04 0.55 -0.48 1.15 0.00 0.00 0.00 179.25 180.43 2c97 h THR 143 N 0.79 1.29 -0.89 0.00 2.02 -1.00 0.54 112.91 115.65 2c97 h THR 143 Ca 0.17 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.66 2c97 h THR 143 Cb 0.33 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 2c97 h THR 143 CO 0.00 0.54 0.48 0.58 0.37 0.00 0.00 175.52 177.50 2c97 h VAL 144 N 0.62 1.26 -0.58 3.16 2.07 -1.20 -1.99 116.25 119.58 2c97 h VAL 144 Ca 0.03 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2c97 h VAL 144 Cb 1.06 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2c97 h VAL 144 CO 0.10 0.29 0.05 0.00 0.02 0.00 0.00 177.57 178.03 2c97 h ALA 145 N 1.26 0.78 0.06 1.67 0.00 -0.75 -1.64 119.26 120.65 2c97 h ALA 145 Ca 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c97 h ALA 145 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2c97 h ALA 145 CO -0.05 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 2c97 h ALA 146 N 0.99 -0.09 -0.11 0.00 0.00 -0.49 -2.08 119.26 117.49 2c97 h ALA 146 Ca 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2c97 h ALA 146 Cb 0.49 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2c97 h ALA 146 CO 0.02 -0.52 -0.09 -0.07 0.00 0.00 0.00 179.25 178.59 2c97 h LEU 147 N -0.14 0.27 -0.93 0.00 3.38 -1.37 -0.89 115.31 115.63 2c97 h LEU 147 Ca -0.01 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.55 2c97 h LEU 147 Cb 0.12 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2c97 h LEU 147 CO 0.01 0.68 0.59 0.00 0.09 0.00 0.00 178.44 179.82 2c97 h ALA 148 N 0.59 1.28 -0.28 1.53 0.00 -1.35 -0.36 119.26 120.68 2c97 h ALA 148 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2c97 h ALA 148 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2c97 h ALA 148 CO 0.02 0.38 -0.20 1.15 0.00 0.00 0.00 179.25 180.60 2c97 h THR 149 N 1.09 1.30 -0.62 0.00 2.02 -1.34 -1.20 112.91 114.16 2c97 h THR 149 Ca 0.40 -1.33 0.10 0.00 0.77 0.00 0.00 66.41 66.35 2c97 h THR 149 Cb 0.14 1.55 -0.08 0.00 -1.74 0.00 0.00 68.15 68.03 2c97 h THR 149 CO -0.17 0.42 0.21 0.00 0.37 0.00 0.00 175.52 176.36 2c97 h ALA 150 N 0.72 0.79 -0.36 6.16 0.00 -0.78 -0.53 119.26 125.27 2c97 h ALA 150 Ca 0.05 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2c97 h ALA 150 Cb 0.74 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2c97 h ALA 150 CO 0.05 -0.22 -0.09 -0.07 0.00 0.00 0.00 179.25 178.92 2c97 h LEU 151 N 0.37 0.70 -0.39 0.00 3.38 -0.91 -1.53 115.31 116.93 2c97 h LEU 151 Ca 0.32 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2c97 h LEU 151 Cb 0.43 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2c97 h LEU 151 CO -0.34 0.90 0.09 0.74 0.09 0.00 0.00 178.44 179.92 2c97 h THR 152 N 0.48 0.82 -0.75 0.22 2.02 -0.95 -1.58 112.91 113.17 2c97 h THR 152 Ca 0.09 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2c97 h THR 152 Cb 0.60 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2c97 h THR 152 CO 0.04 0.04 0.28 -0.07 0.37 0.00 0.00 175.52 176.18 2c97 h LEU 153 N 0.22 1.05 -0.32 2.58 3.38 -0.91 -0.86 115.31 120.45 2c97 h LEU 153 Ca 0.19 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2c97 h LEU 153 Cb 0.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2c97 h LEU 153 CO -0.23 0.94 0.06 -0.09 0.09 0.00 0.00 178.44 179.21 2c97 h ARG 154 N 1.10 0.17 -0.01 1.13 2.43 -0.94 -0.92 114.38 117.34 2c97 h ARG 154 Ca 0.25 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2c97 h ARG 154 Cb 0.23 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2c97 h ARG 154 CO -0.02 0.11 -0.34 1.49 -1.51 0.00 0.00 179.97 179.70 2c97 h GLU 155 N 0.18 0.03 -0.05 0.20 4.57 -0.78 -3.14 114.58 115.59 2c97 h GLU 155 Ca 0.15 -0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.13 2c97 h GLU 155 Cb 0.16 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2c97 h GLU 155 CO -0.20 0.37 -0.71 -0.07 -1.18 0.00 0.00 179.01 177.22 2c97 h LEU 156 N 0.02 0.71 0.00 1.64 3.38 -0.70 -3.47 115.31 116.90 2c97 h LEU 156 Ca 0.00 -0.70 -0.39 0.00 0.09 0.00 0.00 57.88 56.88 2c97 h LEU 156 Cb 0.62 -0.22 0.17 0.00 0.09 0.00 0.00 40.66 41.33 2c97 h LEU 156 CO 0.05 1.31 0.27 0.54 0.09 0.00 0.00 178.44 180.70 2c97 n ARG 157 N -4.09 -1.99 -1.85 1.13 1.74 -0.39 -4.97 116.66 106.24 2c97 n ARG 157 Ca -0.09 -1.81 -0.42 0.00 -0.77 0.00 0.00 57.85 54.76 2c97 n ARG 157 Cb 0.72 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 2c97 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c97 s ALA 158 N -3.56 3.68 0.11 7.54 0.00 -1.26 -4.97 121.76 123.29 2c97 s ALA 158 Ca 0.69 1.24 -0.19 0.00 0.00 0.00 0.00 51.96 53.70 2c97 s ALA 158 Cb -0.04 -3.74 0.05 0.00 0.00 0.00 0.00 23.12 19.38 2c97 s ALA 158 CO 0.50 -1.25 0.48 -3.38 0.00 0.00 0.00 175.76 172.11 2c97 s HIS 159 N 3.18 -0.34 0.00 0.00 -3.43 -1.26 -5.09 115.29 108.34 2c97 s HIS 159 Ca 0.78 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 55.21 2c97 s HIS 159 Cb -0.41 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 2c97 s HIS 159 CO 0.34 -0.71 0.42 -1.13 -2.00 0.00 0.00 174.74 171.67