#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 3.29 0.03 -1.67 0.00 -0.71 -4.70 120.51 116.74 2c97 n ALA 15 Ca 0.00 -1.93 0.22 0.00 0.00 0.00 0.00 53.44 51.73 2c97 n ALA 15 Cb 0.00 -0.91 0.72 0.00 0.00 0.00 0.00 19.45 19.26 2c97 n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c97 h SER 16 N 3.14 0.00 1.14 0.00 4.64 -1.80 0.02 113.55 120.69 2c97 h SER 16 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c97 h SER 16 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2c97 h SER 16 CO 0.31 0.00 -0.32 0.61 -0.87 0.00 0.00 176.83 176.56 2c97 n GLY 17 N -1.54 -1.55 3.78 -0.77 0.00 -1.26 -4.89 105.19 98.96 2c97 n GLY 17 Ca 0.10 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2c97 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c97 s VAL 18 N -3.13 4.48 -0.44 1.61 0.11 -0.01 -5.01 120.40 118.01 2c97 s VAL 18 Ca 0.09 1.60 -0.20 0.00 -2.93 0.00 0.00 61.98 60.54 2c97 s VAL 18 Cb 0.13 -4.09 0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2c97 s VAL 18 CO 0.66 0.51 0.61 -0.13 -3.33 0.00 0.00 175.10 173.42 2c97 s ARG 19 N -1.01 3.23 -0.14 1.54 0.52 -1.26 -4.99 118.95 116.85 2c97 s ARG 19 Ca 0.35 -0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2c97 s ARG 19 Cb -0.22 -3.97 -0.03 0.00 0.52 0.00 0.00 34.95 31.26 2c97 s ARG 19 CO 0.24 -1.00 -0.05 -1.17 0.02 0.00 0.00 175.30 173.34 2c97 s LEU 20 N 2.70 3.16 0.06 2.53 2.96 -1.26 -0.48 118.68 128.35 2c97 s LEU 20 Ca 0.20 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 2c97 s LEU 20 Cb -0.15 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2c97 s LEU 20 CO 0.18 0.19 -0.15 0.00 -1.32 0.00 0.00 176.35 175.25 2c97 s ALA 21 N 0.21 2.73 -0.09 5.97 0.00 -0.29 -1.10 121.76 129.20 2c97 s ALA 21 Ca -0.03 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2c97 s ALA 21 Cb -0.14 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.20 2c97 s ALA 21 CO 0.03 0.59 -0.08 0.42 0.00 0.00 0.00 175.76 176.72 2c97 s ILE 22 N -1.02 0.96 -0.11 0.00 1.01 0.25 -0.63 121.20 121.66 2c97 s ILE 22 Ca 0.17 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2c97 s ILE 22 Cb -0.11 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.40 2c97 s ILE 22 CO 0.08 0.34 -0.18 0.54 0.00 0.00 0.00 174.94 175.72 2c97 s VAL 23 N 1.29 2.60 -0.04 2.92 0.11 -0.58 -0.88 120.40 125.81 2c97 s VAL 23 Ca -0.03 -0.83 0.01 0.00 -2.93 0.00 0.00 61.98 58.20 2c97 s VAL 23 Cb -0.14 -2.05 0.02 0.00 -1.53 0.00 0.00 36.38 32.69 2c97 s VAL 23 CO -0.03 0.54 -0.04 0.00 -3.33 0.00 0.00 175.10 172.24 2c97 s ALA 24 N 0.31 0.64 1.04 1.54 0.00 -0.76 -0.84 121.76 123.68 2c97 s ALA 24 Ca -0.14 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 2c97 s ALA 24 Cb -0.17 -0.42 0.22 0.00 0.00 0.00 0.00 23.12 22.76 2c97 s ALA 24 CO 0.07 -0.03 1.25 -1.54 0.00 0.00 0.00 175.76 175.51 2c97 s SER 25 N 0.95 2.44 0.00 0.00 1.04 -0.67 -1.28 113.70 116.19 2c97 s SER 25 Ca -0.11 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2c97 s SER 25 Cb -0.14 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.45 2c97 s SER 25 CO -0.00 -3.16 0.11 -1.20 0.98 0.00 0.00 173.24 169.96 2c97 n SER 26 N -4.08 0.21 -4.66 7.02 7.64 0.18 -4.79 113.62 115.16 2c97 n SER 26 Ca 0.14 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 59.05 2c97 n SER 26 Cb 0.59 0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 64.23 2c97 n SER 26 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2c97 s TRP 27 N -0.47 1.56 -0.44 1.43 -0.11 -0.52 -2.40 118.94 117.99 2c97 s TRP 27 Ca 0.00 -0.14 -0.01 0.00 1.22 0.00 0.00 56.10 57.16 2c97 s TRP 27 Cb 0.00 -4.10 0.00 0.00 -1.50 0.00 0.00 33.47 27.87 2c97 s TRP 27 CO 0.00 -4.79 0.43 0.72 -4.62 0.00 0.00 176.95 168.69 2c97 n HIS 28 N 7.62 -1.92 -0.00 5.86 8.25 -1.26 -4.51 115.22 129.26 2c97 n HIS 28 Ca 0.19 0.74 -0.10 0.00 -0.26 0.00 0.00 57.72 58.29 2c97 n HIS 28 Cb 0.42 -3.14 -0.04 0.00 1.12 0.00 0.00 29.99 28.35 2c97 n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c97 h GLY 29 N 0.43 -0.38 0.15 -1.41 0.00 -1.85 -2.56 103.07 97.46 2c97 h GLY 29 Ca 0.00 0.37 0.13 0.00 0.00 0.00 0.00 47.33 47.83 2c97 h GLY 29 CO 0.18 -0.21 0.21 1.70 0.00 0.00 0.00 176.54 178.41 2c97 h LYS 30 N -0.36 0.33 -0.12 4.80 3.64 -1.94 -0.43 116.57 122.48 2c97 h LYS 30 Ca 0.10 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2c97 h LYS 30 Cb 0.52 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2c97 h LYS 30 CO -0.35 0.22 -0.10 0.82 -2.27 0.00 0.00 179.45 177.77 2c97 h ILE 31 N 0.34 1.34 -0.44 2.00 2.04 -1.89 -2.24 117.51 118.66 2c97 h ILE 31 Ca 0.37 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 65.08 2c97 h ILE 31 Cb 0.55 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 2c97 h ILE 31 CO -0.41 0.35 0.05 0.00 0.00 0.00 0.00 178.15 178.14 2c97 h ASP 33 N 0.17 0.57 -0.82 0.00 5.19 -1.04 -0.45 116.42 120.03 2c97 h ASP 33 Ca 0.22 0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.64 2c97 h ASP 33 Cb 0.30 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 2c97 h ASP 33 CO -0.32 0.35 0.40 0.00 -3.12 0.00 0.00 179.24 176.54 2c97 h ALA 34 N 1.39 1.14 -0.62 3.45 0.00 -0.72 -1.18 119.26 122.73 2c97 h ALA 34 Ca 0.34 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2c97 h ALA 34 Cb 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2c97 h ALA 34 CO -0.22 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 179.84 2c97 h LEU 35 N 1.18 0.87 -0.97 0.00 3.38 -0.60 -2.38 115.31 116.79 2c97 h LEU 35 Ca 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2c97 h LEU 35 Cb 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2c97 h LEU 35 CO -0.04 0.82 0.18 0.25 0.09 0.00 0.00 178.44 179.75 2c97 h LEU 36 N 0.87 0.87 -0.50 1.67 5.85 -0.70 -2.28 115.31 121.08 2c97 h LEU 36 Ca 0.20 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2c97 h LEU 36 Cb 0.24 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2c97 h LEU 36 CO -0.01 0.82 0.08 -0.78 -0.34 0.00 0.00 178.44 178.21 2c97 h ASP 37 N 0.90 0.80 -0.22 1.25 -0.00 -0.95 -0.64 116.42 117.56 2c97 h ASP 37 Ca 0.20 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.03 56.97 2c97 h ASP 37 Cb 0.27 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.38 2c97 h ASP 37 CO -0.01 0.86 0.14 1.23 -0.00 0.00 0.00 179.24 181.47 2c97 h GLY 38 N 0.72 0.32 0.30 -0.78 0.00 -1.29 -2.11 103.07 100.23 2c97 h GLY 38 Ca 0.15 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.41 2c97 h GLY 38 CO 0.01 0.13 -0.18 0.00 0.00 0.00 0.00 176.54 176.50 2c97 h ALA 39 N 1.05 -0.04 -0.94 3.60 0.00 -1.26 -2.47 119.26 119.20 2c97 h ALA 39 Ca 0.08 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2c97 h ALA 39 Cb 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2c97 h ALA 39 CO -0.02 -0.60 0.61 0.00 0.00 0.00 0.00 179.25 179.24 2c97 h ARG 40 N -0.18 1.11 -0.32 0.00 3.08 -1.01 -1.16 114.38 115.89 2c97 h ARG 40 Ca 0.13 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 2c97 h ARG 40 Cb 0.37 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2c97 h ARG 40 CO -0.32 0.73 -0.15 0.87 -1.07 0.00 0.00 179.97 180.03 2c97 h LYS 41 N 1.14 0.67 0.27 0.04 1.57 -1.08 0.12 116.57 119.30 2c97 h LYS 41 Ca 0.38 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2c97 h LYS 41 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2c97 h LYS 41 CO -0.13 0.88 -0.13 0.28 -0.57 0.00 0.00 179.45 179.78 2c97 h VAL 42 N 0.44 0.76 -0.52 0.50 2.07 -1.23 0.11 116.25 118.38 2c97 h VAL 42 Ca 0.07 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.52 2c97 h VAL 42 Cb 0.68 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 2c97 h VAL 42 CO 0.05 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.47 2c97 h ALA 43 N 0.25 0.20 -0.42 1.67 0.00 -1.13 0.59 119.26 120.43 2c97 h ALA 43 Ca -0.04 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2c97 h ALA 43 Cb 0.34 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2c97 h ALA 43 CO 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 179.25 178.77 2c97 h ALA 44 N 1.31 1.19 0.00 0.00 0.00 -0.53 0.13 119.26 121.37 2c97 h ALA 44 Ca 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2c97 h ALA 44 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2c97 h ALA 44 CO -0.58 0.53 -0.24 0.78 0.00 0.00 0.00 179.25 179.74 2c97 h GLY 45 N 0.94 0.00 -1.93 0.00 0.00 0.58 -2.74 103.07 99.91 2c97 h GLY 45 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2c97 h GLY 45 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2c97 n GLY 47 N 1.36 0.66 3.20 0.00 0.00 -1.03 -1.74 105.19 107.64 2c97 n GLY 47 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 5.91 0.36 0.99 1.43 0.40 -4.65 118.68 123.12 2c97 s LEU 48 Ca 0.00 -2.77 0.19 0.00 -1.03 0.00 0.00 54.13 50.52 2c97 s LEU 48 Cb 0.00 -2.01 0.47 0.00 0.03 0.00 0.00 46.19 44.68 2c97 s LEU 48 CO 0.00 -0.46 1.63 0.44 0.23 0.00 0.00 176.35 178.19 2c97 h ASP 49 N 7.37 0.00 -2.09 2.29 3.45 -1.85 -2.88 116.42 122.70 2c97 h ASP 49 Ca 0.03 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.95 2c97 h ASP 49 Cb 0.99 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.36 2c97 h ASP 49 CO 0.73 0.34 -0.97 -0.67 -1.57 0.00 0.00 179.24 177.10 2c97 n ASP 50 N -3.30 1.88 -4.80 6.45 2.03 -1.26 -4.93 116.55 112.61 2c97 n ASP 50 Ca 0.01 -3.14 -0.31 0.00 0.52 0.00 0.00 54.79 51.87 2c97 n ASP 50 Cb 0.58 -0.62 0.06 0.00 -0.72 0.00 0.00 41.12 40.42 2c97 n ASP 50 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c97 s PRO 51 N -2.36 2.74 -0.14 -0.67 0.04 -1.26 -4.96 135.00 128.40 2c97 s PRO 51 Ca 0.41 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 2c97 s PRO 51 Cb 0.26 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2c97 s PRO 51 CO -0.09 -1.25 1.39 0.99 0.04 0.00 0.00 177.00 178.08 2c97 s THR 52 N -2.98 4.05 -0.12 1.26 2.01 -0.25 -4.92 115.64 114.69 2c97 s THR 52 Ca 0.59 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.88 2c97 s THR 52 Cb -0.15 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 2c97 s THR 52 CO 0.55 -0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.48 2c97 s VAL 53 N 3.73 2.56 -0.02 3.82 1.01 -1.26 0.87 120.40 131.11 2c97 s VAL 53 Ca 0.61 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2c97 s VAL 53 Cb -0.25 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.09 2c97 s VAL 53 CO 0.20 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 175.06 2c97 s VAL 54 N 0.41 0.69 -0.18 2.92 1.01 -0.06 -4.98 120.40 120.21 2c97 s VAL 54 Ca -0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2c97 s VAL 54 Cb -0.17 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2c97 s VAL 54 CO 0.06 0.21 0.04 -0.13 0.00 0.00 0.00 175.10 175.28 2c97 s ARG 55 N 0.10 3.89 0.32 2.72 1.81 -1.26 -1.82 118.95 124.71 2c97 s ARG 55 Ca -0.01 -0.39 0.10 0.00 -1.72 0.00 0.00 55.73 53.71 2c97 s ARG 55 Cb -0.07 -3.14 -0.06 0.00 -0.45 0.00 0.00 34.95 31.23 2c97 s ARG 55 CO 0.00 0.25 -0.08 0.14 -0.68 0.00 0.00 175.30 174.93 2c97 s VAL 56 N 0.40 2.54 0.01 3.52 -7.23 -0.40 -4.96 120.40 114.29 2c97 s VAL 56 Ca 0.01 -2.16 -0.19 0.00 -1.81 0.00 0.00 61.98 57.84 2c97 s VAL 56 Cb -0.13 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.09 2c97 s VAL 56 CO 0.01 -0.27 1.05 0.25 -0.31 0.00 0.00 175.10 175.83 2c97 h LEU 57 N 2.01 -0.57 -9.20 1.32 5.85 -1.93 -1.50 115.31 111.29 2c97 h LEU 57 Ca -0.42 0.02 -0.49 0.00 0.84 0.00 0.00 57.88 57.83 2c97 h LEU 57 Cb 1.25 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 2c97 h LEU 57 CO 0.66 -0.33 -0.53 -0.83 -0.34 0.00 0.00 178.44 177.06 2c97 s GLY 58 N -1.95 2.36 0.50 3.75 0.00 -1.26 -0.65 107.32 110.07 2c97 s GLY 58 Ca -0.10 -1.57 0.25 0.00 0.00 0.00 0.00 44.72 43.31 2c97 s GLY 58 CO 0.30 -1.70 2.04 0.00 0.00 0.00 0.00 173.10 173.73 2c97 h ALA 59 N 2.00 1.31 -0.18 3.20 0.00 -1.93 -1.96 119.26 121.70 2c97 h ALA 59 Ca -0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2c97 h ALA 59 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2c97 h ALA 59 CO 0.53 0.18 -0.02 0.82 0.00 0.00 0.00 179.25 180.76 2c97 h ILE 60 N 0.00 1.13 0.00 0.00 1.08 -1.97 -2.51 117.51 115.25 2c97 h ILE 60 Ca -0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2c97 h ILE 60 Cb 0.37 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 2c97 h ILE 60 CO 0.02 0.17 0.00 -0.62 -0.69 0.00 0.00 178.15 177.03 2c97 n GLU 61 N -4.36 0.11 0.13 2.37 4.71 -0.74 -4.24 120.64 118.62 2c97 n GLU 61 Ca -0.00 0.11 -0.14 0.00 -0.01 0.00 0.00 57.16 57.12 2c97 n GLU 61 Cb 0.19 -1.63 -0.08 0.00 -1.01 0.00 0.00 31.44 28.91 2c97 n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c97 h ILE 62 N 0.00 0.84 -0.45 -3.67 2.04 -1.52 -3.23 117.51 111.52 2c97 h ILE 62 Ca 0.00 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.57 2c97 h ILE 62 Cb 0.57 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 2c97 h ILE 62 CO 0.00 0.08 0.01 -0.65 0.00 0.00 0.00 178.15 177.59 2c97 h PRO 63 N -0.49 0.12 -0.44 2.37 0.11 -1.77 0.25 132.00 132.14 2c97 h PRO 63 Ca -0.03 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 2c97 h PRO 63 Cb 0.37 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2c97 h PRO 63 CO 0.05 0.08 0.17 -0.24 -0.21 0.00 0.00 178.00 177.85 2c97 h VAL 64 N 0.12 1.17 -0.02 3.15 3.04 -1.84 0.55 116.25 122.42 2c97 h VAL 64 Ca 0.22 -0.53 -0.25 0.00 -1.01 0.00 0.00 66.70 65.14 2c97 h VAL 64 Cb 0.32 0.65 0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2c97 h VAL 64 CO -0.36 0.21 -0.97 0.58 -1.01 0.00 0.00 177.57 176.01 2c97 h VAL 65 N 0.62 1.32 -0.77 1.51 2.07 -1.42 -3.07 116.25 116.51 2c97 h VAL 65 Ca 0.15 -2.27 0.01 0.00 0.82 0.00 0.00 66.70 65.41 2c97 h VAL 65 Cb 0.13 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2c97 h VAL 65 CO -0.01 0.70 0.51 0.00 0.02 0.00 0.00 177.57 178.78 2c97 h ALA 66 N 0.55 0.98 -0.58 1.67 0.00 0.12 -1.07 119.26 120.94 2c97 h ALA 66 Ca -0.10 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2c97 h ALA 66 Cb 1.61 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2c97 h ALA 66 CO 0.18 0.40 0.12 0.37 0.00 0.00 0.00 179.25 180.32 2c97 h GLN 67 N 1.05 0.24 -0.10 0.00 4.15 -0.93 0.34 115.11 119.86 2c97 h GLN 67 Ca 0.28 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 2c97 h GLN 67 Cb -0.11 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 2c97 h GLN 67 CO -0.06 0.16 0.01 1.49 -1.93 0.00 0.00 178.83 178.50 2c97 h GLU 68 N 0.25 0.17 -0.66 1.69 4.57 -1.29 -3.03 114.58 116.28 2c97 h GLU 68 Ca 0.30 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 2c97 h GLU 68 Cb 0.45 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2c97 h GLU 68 CO -0.40 0.39 0.44 -0.07 -1.18 0.00 0.00 179.01 178.19 2c97 h LEU 69 N -0.07 0.64 -1.93 1.64 3.38 -0.91 -2.77 115.31 115.28 2c97 h LEU 69 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2c97 h LEU 69 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2c97 h LEU 69 CO 0.00 0.43 -0.11 0.00 0.09 0.00 0.00 178.44 178.85 2c97 h ALA 70 N 1.63 1.55 0.00 1.53 0.00 -0.81 -1.61 119.26 121.54 2c97 h ALA 70 Ca 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2c97 h ALA 70 Cb 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2c97 h ALA 70 CO -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.26 2c97 h ARG 71 N 0.00 0.00 0.00 0.00 3.08 -1.48 -3.29 114.38 112.69 2c97 h ARG 71 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2c97 h ARG 71 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2c97 h ARG 71 CO 0.01 0.04 0.00 -1.71 -1.07 0.00 0.00 179.97 177.25 2c97 n ASN 72 N -3.25 1.09 -4.08 7.04 4.05 -0.65 -5.07 115.26 114.37 2c97 n ASN 72 Ca -0.01 -1.39 -0.11 0.00 0.45 0.00 0.00 54.58 53.52 2c97 n ASN 72 Cb 0.22 0.00 -0.11 0.00 1.23 0.00 0.00 39.78 41.12 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 -0.39 0.64 -0.27 1.20 3.76 -0.93 -4.96 115.29 114.33 2c97 s HIS 73 Ca 0.00 -0.73 0.19 0.00 -0.15 0.00 0.00 55.06 54.37 2c97 s HIS 73 Cb 0.00 -0.40 0.17 0.00 1.11 0.00 0.00 32.58 33.46 2c97 s HIS 73 CO 0.00 -0.17 1.48 -0.44 -0.85 0.00 0.00 174.74 174.76 2c97 h ASP 74 N 3.83 0.00 -4.33 1.40 3.32 -1.10 -3.45 116.42 116.10 2c97 h ASP 74 Ca -0.35 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 2c97 h ASP 74 Cb 1.18 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 2c97 h ASP 74 CO 0.52 0.28 0.09 0.00 -1.72 0.00 0.00 179.24 178.41 2c97 s ALA 75 N -3.07 -1.65 -0.08 3.45 0.00 -1.12 -4.01 121.76 115.28 2c97 s ALA 75 Ca 0.05 1.65 0.03 0.00 0.00 0.00 0.00 51.96 53.69 2c97 s ALA 75 Cb 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2c97 s ALA 75 CO 0.72 -0.33 -0.19 0.08 0.00 0.00 0.00 175.76 176.04 2c97 s VAL 76 N -0.18 1.63 -0.22 0.00 1.01 -0.66 -1.14 120.40 120.84 2c97 s VAL 76 Ca -0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 2c97 s VAL 76 Cb -0.03 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2c97 s VAL 76 CO 0.04 0.46 0.16 -0.69 0.00 0.00 0.00 175.10 175.07 2c97 s VAL 77 N 0.43 5.37 -0.32 2.92 1.01 0.20 -0.50 120.40 129.52 2c97 s VAL 77 Ca -0.16 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 2c97 s VAL 77 Cb -0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2c97 s VAL 77 CO 0.06 0.38 0.20 0.00 0.00 0.00 0.00 175.10 175.74 2c97 s ALA 78 N 0.77 3.42 -0.03 5.51 0.00 -0.72 -1.53 121.76 129.18 2c97 s ALA 78 Ca 0.08 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 50.78 2c97 s ALA 78 Cb -0.13 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 2c97 s ALA 78 CO 0.02 -0.87 -0.25 -0.51 0.00 0.00 0.00 175.76 174.15 2c97 s LEU 79 N 1.69 2.13 0.00 0.00 1.43 -0.02 -0.24 118.68 123.66 2c97 s LEU 79 Ca 0.06 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2c97 s LEU 79 Cb -0.17 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.68 2c97 s LEU 79 CO 0.09 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.59 2c97 n GLY 80 N 2.51 -0.65 2.85 -3.19 0.00 -0.97 -1.67 105.19 104.07 2c97 n GLY 80 Ca -0.16 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.34 -0.19 1.61 1.01 -1.26 -1.03 120.40 118.21 2c97 s VAL 81 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2c97 s VAL 81 Cb 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 2c97 s VAL 81 CO 0.00 -0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.27 2c97 s VAL 82 N 2.35 2.84 -0.11 2.92 1.01 0.71 -4.84 120.40 125.28 2c97 s VAL 82 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2c97 s VAL 82 Cb -0.14 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2c97 s VAL 82 CO -0.09 0.48 -0.23 -0.63 0.00 0.00 0.00 175.10 174.64 2c97 s ILE 83 N 1.16 2.00 0.23 2.22 1.01 -1.26 -0.96 121.20 125.60 2c97 s ILE 83 Ca 0.01 -0.97 -0.31 0.00 0.00 0.00 0.00 60.65 59.38 2c97 s ILE 83 Cb -0.14 -1.74 -0.12 0.00 0.01 0.00 0.00 42.46 40.46 2c97 s ILE 83 CO -0.04 0.54 1.69 -0.60 0.00 0.00 0.00 174.94 176.53 2c97 s ARG 84 N 0.53 4.13 0.00 2.79 3.52 -0.58 -4.94 118.95 124.40 2c97 s ARG 84 Ca -0.14 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.05 2c97 s ARG 84 Cb -0.17 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 2c97 s ARG 84 CO 0.05 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.23 2c97 n GLY 85 N 3.53 2.20 0.09 8.12 0.00 -1.26 -4.87 105.19 113.00 2c97 n GLY 85 Ca 0.14 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.43 2c97 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c97 n GLN 86 N 0.00 0.28 -4.50 1.61 1.13 -1.26 -4.95 117.38 109.70 2c97 n GLN 86 Ca 0.00 0.17 -0.27 0.00 -1.94 0.00 0.00 57.00 54.96 2c97 n GLN 86 Cb 0.00 -1.76 -0.10 0.00 0.11 0.00 0.00 30.24 28.48 2c97 n GLN 86 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2c97 s THR 87 N -3.13 2.08 -1.25 5.09 -4.23 -1.26 -5.02 115.64 107.92 2c97 s THR 87 Ca 0.09 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 2c97 s THR 87 Cb 0.13 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 71.11 2c97 s THR 87 CO 0.65 -0.00 1.28 -2.65 -0.54 0.00 0.00 174.62 173.35 2c97 n PRO 88 N -1.03 0.09 -0.34 3.99 -0.02 -1.26 -3.85 135.00 132.58 2c97 n PRO 88 Ca -0.04 0.24 0.11 0.00 -2.02 0.00 0.00 63.50 61.79 2c97 n PRO 88 Cb 0.66 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.17 -0.90 6.00 2.76 -1.97 -0.21 115.15 120.67 2c97 h HIS 89 Ca 0.00 0.07 0.23 0.00 -2.20 0.00 0.00 60.37 58.47 2c97 h HIS 89 Cb 0.13 0.23 -0.13 0.00 1.55 0.00 0.00 27.41 29.19 2c97 h HIS 89 CO 0.00 -0.41 0.37 0.35 -1.30 0.00 0.00 177.93 176.94 2c97 h PHE 90 N 0.02 0.61 -0.69 5.26 3.57 -1.93 -0.85 116.94 122.93 2c97 h PHE 90 Ca 0.55 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 62.05 2c97 h PHE 90 Cb 1.05 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2c97 h PHE 90 CO -0.56 -0.09 0.28 -0.44 -2.23 0.00 0.00 178.31 175.27 2c97 h ASP 91 N 0.36 0.95 0.12 0.41 3.32 -1.33 -1.87 116.42 118.38 2c97 h ASP 91 Ca 0.57 -0.17 -0.22 0.00 0.02 0.00 0.00 57.03 57.23 2c97 h ASP 91 Cb 1.11 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2c97 h ASP 91 CO -0.56 0.86 -0.84 1.88 -1.72 0.00 0.00 179.24 178.87 2c97 h TYR 92 N 0.98 0.78 -0.48 4.55 0.05 -1.23 -0.47 116.97 121.15 2c97 h TYR 92 Ca 0.23 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 2c97 h TYR 92 Cb 0.20 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 2c97 h TYR 92 CO 0.01 1.18 0.29 0.28 -1.05 0.00 0.00 178.16 178.88 2c97 h VAL 93 N 0.36 1.15 -0.43 -2.88 2.07 -1.19 -0.21 116.25 115.12 2c97 h VAL 93 Ca -0.06 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 2c97 h VAL 93 Cb 1.45 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2c97 h VAL 93 CO 0.16 0.15 -0.15 0.00 0.02 0.00 0.00 177.57 177.75 2c97 h ASP 95 N 0.71 0.35 -0.14 0.00 3.32 -0.51 -1.43 116.42 118.72 2c97 h ASP 95 Ca 0.11 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2c97 h ASP 95 Cb 0.65 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2c97 h ASP 95 CO 0.05 0.29 -0.08 0.00 -1.72 0.00 0.00 179.24 177.78 2c97 h ALA 96 N 1.07 0.04 -0.41 3.45 0.00 -0.96 -1.23 119.26 121.23 2c97 h ALA 96 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2c97 h ALA 96 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2c97 h ALA 96 CO -0.02 -0.52 0.16 0.28 0.00 0.00 0.00 179.25 179.15 2c97 h VAL 97 N -0.07 1.20 -0.03 0.00 2.07 -1.27 -0.65 116.25 117.51 2c97 h VAL 97 Ca 0.08 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2c97 h VAL 97 Cb 0.19 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2c97 h VAL 97 CO -0.19 0.22 -0.22 0.74 0.02 0.00 0.00 177.57 178.14 2c97 h THR 98 N 0.52 0.48 -0.76 2.57 2.02 -1.14 -1.32 112.91 115.27 2c97 h THR 98 Ca 0.14 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 2c97 h THR 98 Cb 0.19 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2c97 h THR 98 CO -0.01 0.00 0.28 1.56 0.37 0.00 0.00 175.52 177.72 2c97 h GLN 99 N -0.34 1.16 0.15 6.66 4.20 -1.05 -2.10 115.11 123.80 2c97 h GLN 99 Ca 0.07 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2c97 h GLN 99 Cb 0.43 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2c97 h GLN 99 CO -0.22 0.96 -0.07 0.78 -0.67 0.00 0.00 178.83 179.61 2c97 h GLY 100 N 1.14 -0.21 0.99 3.46 0.00 -0.94 -1.21 103.07 106.29 2c97 h GLY 100 Ca 0.25 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 2c97 h GLY 100 CO -0.02 -0.08 0.31 1.41 0.00 0.00 0.00 176.54 178.17 2c97 h LEU 101 N -0.71 0.65 -0.66 3.11 3.38 -1.30 0.51 115.31 120.30 2c97 h LEU 101 Ca -0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2c97 h LEU 101 Cb 0.51 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2c97 h LEU 101 CO 0.03 0.53 0.41 0.74 0.09 0.00 0.00 178.44 180.25 2c97 h THR 102 N 0.72 1.07 -0.61 0.22 2.02 -1.40 -0.19 112.91 114.75 2c97 h THR 102 Ca 0.19 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2c97 h THR 102 Cb 0.01 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 2c97 h THR 102 CO -0.03 0.14 0.26 -0.09 0.37 0.00 0.00 175.52 176.17 2c97 h ARG 103 N 0.79 0.90 -0.45 6.66 2.43 -0.67 -2.96 114.38 121.08 2c97 h ARG 103 Ca 0.27 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2c97 h ARG 103 Cb 0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2c97 h ARG 103 CO -0.11 0.75 0.13 0.28 -1.51 0.00 0.00 179.97 179.50 2c97 h VAL 104 N 0.84 1.23 -0.90 0.20 2.07 -0.26 -0.80 116.25 118.64 2c97 h VAL 104 Ca 0.21 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2c97 h VAL 104 Cb 0.17 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2c97 h VAL 104 CO -0.02 0.28 0.54 0.77 0.02 0.00 0.00 177.57 179.16 2c97 h SER 105 N 0.59 1.08 0.62 0.57 4.64 -1.01 -2.57 113.55 117.47 2c97 h SER 105 Ca 0.14 -0.07 -0.28 0.00 -0.47 0.00 0.00 61.79 61.12 2c97 h SER 105 Cb 0.29 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2c97 h SER 105 CO -0.00 0.83 -1.37 -0.07 -0.87 0.00 0.00 176.83 175.34 2c97 h LEU 106 N 1.23 0.26 -0.56 5.97 3.38 -1.40 0.17 115.31 124.37 2c97 h LEU 106 Ca 0.32 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2c97 h LEU 106 Cb -0.05 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2c97 h LEU 106 CO -0.06 1.28 0.31 0.44 0.09 0.00 0.00 178.44 180.50 2c97 h ASP 107 N 0.05 0.70 -0.03 -0.43 3.45 -1.14 -3.14 116.42 115.88 2c97 h ASP 107 Ca -0.17 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.20 2c97 h ASP 107 Cb 1.95 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.54 2c97 h ASP 107 CO 0.15 0.59 -0.03 -1.54 -1.57 0.00 0.00 179.24 176.84 2c97 n SER 108 N -4.61 2.92 -4.07 6.45 3.41 -0.97 -4.97 113.62 111.78 2c97 n SER 108 Ca 0.03 -1.96 -0.31 0.00 -0.26 0.00 0.00 58.87 56.37 2c97 n SER 108 Cb 0.08 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.25 -2.02 -4.04 4.04 7.64 0.41 -4.97 113.62 115.93 2c97 n SER 109 Ca 0.14 -0.99 -0.24 0.00 1.01 0.00 0.00 58.87 58.79 2c97 n SER 109 Cb 0.59 -2.98 -0.16 0.00 -1.01 0.00 0.00 64.21 60.64 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 -3.61 1.09 0.12 0.44 2.01 -0.11 -5.02 115.64 110.56 2c97 s THR 110 Ca 0.39 -0.49 -0.34 0.00 0.31 0.00 0.00 61.69 61.56 2c97 s THR 110 Cb -0.21 -0.98 -0.13 0.00 0.01 0.00 0.00 72.50 71.19 2c97 s THR 110 CO 0.90 0.34 1.66 -2.65 -0.69 0.00 0.00 174.62 174.18 2c97 n PRO 111 N 3.56 2.26 -3.86 4.92 -0.02 -1.26 -4.37 135.00 136.24 2c97 n PRO 111 Ca -0.21 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 2c97 n PRO 111 Cb 0.52 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 2c97 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2c97 s ILE 112 N 1.60 2.97 0.47 4.25 -1.09 -1.26 -1.65 121.20 126.50 2c97 s ILE 112 Ca 0.81 -2.26 -0.22 0.00 -2.23 0.00 0.00 60.65 56.75 2c97 s ILE 112 Cb -0.65 -3.07 -0.08 0.00 -1.58 0.00 0.00 42.46 37.08 2c97 s ILE 112 CO 0.40 -0.68 1.10 0.00 -1.23 0.00 0.00 174.94 174.52 2c97 s ALA 113 N 0.93 2.92 -0.73 9.38 0.00 0.34 -4.88 121.76 129.72 2c97 s ALA 113 Ca 0.10 0.77 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 2c97 s ALA 113 Cb -0.22 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.71 2c97 s ALA 113 CO -0.05 -0.49 0.85 1.21 0.00 0.00 0.00 175.76 177.28 2c97 s ASN 114 N -1.65 6.40 -0.24 0.00 3.04 -1.26 -1.75 114.94 119.48 2c97 s ASN 114 Ca 0.65 -1.77 0.11 0.00 0.04 0.00 0.00 52.86 51.89 2c97 s ASN 114 Cb -0.23 -2.32 0.45 0.00 -1.54 0.00 0.00 41.25 37.60 2c97 s ASN 114 CO 0.28 -1.04 1.19 0.61 -3.04 0.00 0.00 177.10 175.10 2c97 n GLY 115 N 5.12 5.19 3.45 1.21 0.00 0.67 -4.58 105.19 116.24 2c97 n GLY 115 Ca 0.04 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.71 5.18 0.32 1.61 1.01 -1.15 -2.28 120.40 121.38 2c97 s VAL 116 Ca 0.43 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2c97 s VAL 116 Cb 0.39 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.78 2c97 s VAL 116 CO -0.02 -0.31 1.11 -0.76 0.00 0.00 0.00 175.10 175.12 2c97 s LEU 117 N 1.66 4.42 -0.34 3.92 1.43 -0.19 -4.93 118.68 124.65 2c97 s LEU 117 Ca 0.05 2.27 -0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2c97 s LEU 117 Cb -0.19 -3.78 0.14 0.00 0.03 0.00 0.00 46.19 42.38 2c97 s LEU 117 CO 0.10 -0.30 0.23 0.42 0.23 0.00 0.00 176.35 177.02 2c97 s THR 118 N -1.28 0.01 0.19 5.49 -4.23 -1.25 -0.21 115.64 114.35 2c97 s THR 118 Ca 0.49 -1.41 0.09 0.00 -1.18 0.00 0.00 61.69 59.68 2c97 s THR 118 Cb -0.31 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2c97 s THR 118 CO 0.39 -0.87 -0.17 0.42 -0.54 0.00 0.00 174.62 173.85 2c97 s THR 119 N 1.33 1.88 0.04 3.99 -4.23 -0.14 -5.02 115.64 113.49 2c97 s THR 119 Ca 0.16 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 2c97 s THR 119 Cb -0.20 -1.96 -0.30 0.00 1.34 0.00 0.00 72.50 71.38 2c97 s THR 119 CO -0.06 -0.41 1.08 0.78 -0.54 0.00 0.00 174.62 175.47 2c97 h ASN 120 N 2.93 0.85 -2.38 3.99 2.35 -1.92 -1.53 115.58 119.86 2c97 h ASN 120 Ca -0.41 -0.84 -0.57 0.00 -0.55 0.00 0.00 56.30 53.94 2c97 h ASN 120 Cb 1.22 -0.27 -0.14 0.00 0.05 0.00 0.00 38.32 39.18 2c97 h ASN 120 CO 0.55 1.61 -0.71 0.42 -1.65 0.00 0.00 177.43 177.65 2c97 s THR 121 N -2.92 2.11 0.15 2.81 -4.23 -1.26 -3.97 115.64 108.33 2c97 s THR 121 Ca -0.10 -2.24 -0.11 0.00 -1.18 0.00 0.00 61.69 58.06 2c97 s THR 121 Cb 0.05 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 2c97 s THR 121 CO 0.93 -0.32 1.53 -0.08 -0.54 0.00 0.00 174.62 176.14 2c97 h GLU 122 N 2.21 0.94 -0.73 3.99 4.81 -1.96 -2.88 114.58 120.96 2c97 h GLU 122 Ca -0.41 -0.41 0.11 0.00 -0.13 0.00 0.00 59.36 58.53 2c97 h GLU 122 Cb 1.25 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 2c97 h GLU 122 CO 0.66 1.07 0.33 1.49 -0.73 0.00 0.00 179.01 181.83 2c97 h GLU 123 N 0.78 0.52 -0.71 1.92 4.81 -1.99 -0.62 114.58 119.28 2c97 h GLU 123 Ca 0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2c97 h GLU 123 Cb 0.78 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2c97 h GLU 123 CO 0.06 0.34 0.43 1.96 -0.73 0.00 0.00 179.01 181.07 2c97 h GLN 124 N 0.53 0.97 -0.39 1.92 4.20 -1.94 -2.27 115.11 118.13 2c97 h GLN 124 Ca 0.38 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.86 2c97 h GLN 124 Cb 0.48 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2c97 h GLN 124 CO -0.33 0.70 -0.29 0.00 -0.67 0.00 0.00 178.83 178.24 2c97 h ALA 125 N 1.22 0.76 -0.53 3.87 0.00 -1.11 -2.96 119.26 120.51 2c97 h ALA 125 Ca 0.26 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2c97 h ALA 125 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2c97 h ALA 125 CO -0.05 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 179.95 2c97 h LEU 126 N 0.70 0.78 -2.53 0.00 3.38 -1.02 -2.72 115.31 113.90 2c97 h LEU 126 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2c97 h LEU 126 Cb 0.83 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2c97 h LEU 126 CO 0.07 0.78 -0.02 -0.78 0.09 0.00 0.00 178.44 178.58 2c97 h ASP 127 N 0.74 0.00 -0.49 -0.43 3.58 -1.31 -2.40 116.42 116.10 2c97 h ASP 127 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2c97 h ASP 127 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2c97 h ASP 127 CO -0.01 0.02 0.00 0.54 -2.88 0.00 0.00 179.24 176.91 2c97 n ARG 128 N -3.43 2.59 -0.46 0.28 1.74 -1.04 -1.14 116.66 115.20 2c97 n ARG 128 Ca -0.03 -2.29 0.08 0.00 -0.77 0.00 0.00 57.85 54.85 2c97 n ARG 128 Cb 0.12 -1.43 0.27 0.00 -1.02 0.00 0.00 32.46 30.39 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 1.17 2.95 -1.86 7.54 0.00 -0.90 -0.83 120.51 128.56 2c97 n ALA 129 Ca 0.18 -1.97 -0.13 0.00 0.00 0.00 0.00 53.44 51.52 2c97 n ALA 129 Cb 0.53 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.02 0.50 3.85 0.00 0.00 -0.59 -4.03 105.19 104.91 2c97 n GLY 130 Ca 0.21 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.34 2.76 0.33 0.99 1.43 -1.26 -4.91 118.68 114.67 2c97 s LEU 131 Ca 0.00 1.21 0.12 0.00 -1.03 0.00 0.00 54.13 54.43 2c97 s LEU 131 Cb 0.00 -3.92 1.00 0.00 0.03 0.00 0.00 46.19 43.30 2c97 s LEU 131 CO 0.00 -1.63 1.66 -0.65 0.23 0.00 0.00 176.35 175.96 2c97 h PRO 132 N -0.86 0.30 -0.50 1.29 0.11 -1.96 -1.70 132.00 128.68 2c97 h PRO 132 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2c97 h PRO 132 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c97 h PRO 132 CO 0.62 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 178.85 2c97 n THR 133 N -5.09 1.17 -2.16 -1.15 -2.24 -1.26 -5.00 114.28 98.56 2c97 n THR 133 Ca 0.29 -1.08 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 2c97 n THR 133 Cb 0.91 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.05 6.83 0.27 3.42 0.01 -0.64 -4.96 113.70 117.58 2c97 s SER 134 Ca 0.36 2.56 -0.04 0.00 1.31 0.00 0.00 55.95 60.14 2c97 s SER 134 Cb 0.20 -2.63 0.35 0.00 0.21 0.00 0.00 66.02 64.15 2c97 s SER 134 CO 0.22 -0.53 1.91 0.00 0.41 0.00 0.00 173.24 175.25 2c97 h ALA 135 N 4.39 1.29 -2.85 1.44 0.00 -1.46 -3.46 119.26 118.62 2c97 h ALA 135 Ca -0.47 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.07 2c97 h ALA 135 Cb 1.22 -0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 2c97 h ALA 135 CO 0.72 0.60 -0.31 -1.83 0.00 0.00 0.00 179.25 178.43 2c97 s GLU 136 N -5.81 1.70 -0.41 0.00 -1.05 -0.86 -5.05 118.70 107.22 2c97 s GLU 136 Ca -0.12 -1.69 0.02 0.00 -0.15 0.00 0.00 54.97 53.03 2c97 s GLU 136 Cb 0.17 0.40 0.12 0.00 -0.44 0.00 0.00 34.13 34.38 2c97 s GLU 136 CO 0.81 -0.67 0.18 0.34 0.95 0.00 0.00 175.26 176.87 2c97 s ASP 137 N -3.21 3.96 0.20 0.83 -1.08 -1.26 -1.54 116.67 114.58 2c97 s ASP 137 Ca 0.32 -2.39 -0.09 0.00 -0.52 0.00 0.00 52.55 49.87 2c97 s ASP 137 Cb 0.01 -1.15 0.13 0.00 -1.46 0.00 0.00 42.92 40.46 2c97 s ASP 137 CO 0.18 -0.31 1.78 0.50 0.52 0.00 0.00 175.17 177.84 2c97 h LYS 138 N 7.12 1.07 -0.45 4.34 1.63 -1.30 -0.82 116.57 128.16 2c97 h LYS 138 Ca -0.05 -0.17 0.06 0.00 -0.85 0.00 0.00 60.65 59.64 2c97 h LYS 138 Cb 0.95 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.35 2c97 h LYS 138 CO 0.51 0.85 0.16 0.78 -3.45 0.00 0.00 179.45 178.30 2c97 h GLY 139 N 1.03 0.59 0.92 5.01 0.00 -1.81 -0.07 103.07 108.75 2c97 h GLY 139 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2c97 h GLY 139 CO -0.03 0.02 0.12 0.00 0.00 0.00 0.00 176.54 176.65 2c97 h ALA 140 N 1.30 0.32 -0.21 3.60 0.00 -1.60 -2.87 119.26 119.80 2c97 h ALA 140 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2c97 h ALA 140 Cb 0.21 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2c97 h ALA 140 CO -0.22 -0.11 -0.07 1.96 0.00 0.00 0.00 179.25 180.81 2c97 h GLN 141 N 0.27 -0.03 -0.56 0.00 4.20 -0.84 -2.12 115.11 116.04 2c97 h GLN 141 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2c97 h GLN 141 Cb 0.13 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2c97 h GLN 141 CO -0.01 -0.02 0.31 0.00 -0.67 0.00 0.00 178.83 178.44 2c97 h ALA 142 N 1.17 1.49 -0.25 3.87 0.00 -0.99 -2.04 119.26 122.51 2c97 h ALA 142 Ca 0.10 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2c97 h ALA 142 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2c97 h ALA 142 CO -0.23 0.43 -0.51 1.15 0.00 0.00 0.00 179.25 180.08 2c97 h THR 143 N 0.77 1.29 -0.69 0.00 2.02 -1.18 0.16 112.91 115.29 2c97 h THR 143 Ca 0.20 -1.71 0.03 0.00 0.77 0.00 0.00 66.41 65.70 2c97 h THR 143 Cb 0.02 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 2c97 h THR 143 CO -0.03 0.55 0.42 0.58 0.37 0.00 0.00 175.52 177.41 2c97 h VAL 144 N 0.53 1.08 -0.36 3.16 2.07 -1.15 -0.60 116.25 120.97 2c97 h VAL 144 Ca 0.01 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2c97 h VAL 144 Cb 1.12 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2c97 h VAL 144 CO 0.11 0.15 0.23 0.00 0.02 0.00 0.00 177.57 178.08 2c97 h ALA 145 N 1.30 0.46 0.22 1.67 0.00 -1.11 -0.14 119.26 121.66 2c97 h ALA 145 Ca 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2c97 h ALA 145 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2c97 h ALA 145 CO -0.12 -0.05 -0.15 0.00 0.00 0.00 0.00 179.25 178.93 2c97 h ALA 146 N 1.11 -0.36 -0.20 0.00 0.00 -0.53 -1.71 119.26 117.56 2c97 h ALA 146 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2c97 h ALA 146 Cb -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2c97 h ALA 146 CO -0.03 -0.71 -0.04 -0.07 0.00 0.00 0.00 179.25 178.40 2c97 h LEU 147 N -0.38 0.38 -0.87 0.00 3.38 -1.04 -1.35 115.31 115.44 2c97 h LEU 147 Ca -0.02 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2c97 h LEU 147 Cb 0.32 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2c97 h LEU 147 CO 0.01 0.65 0.56 0.00 0.09 0.00 0.00 178.44 179.74 2c97 h ALA 148 N 0.75 1.10 -0.44 1.53 0.00 -1.02 -1.66 119.26 119.53 2c97 h ALA 148 Ca 0.05 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2c97 h ALA 148 Cb 0.48 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2c97 h ALA 148 CO 0.02 0.53 -0.25 1.15 0.00 0.00 0.00 179.25 180.70 2c97 h THR 149 N 1.18 1.27 -0.50 0.00 2.02 -1.14 -2.03 112.91 113.71 2c97 h THR 149 Ca 0.32 -1.40 0.04 0.00 0.77 0.00 0.00 66.41 66.13 2c97 h THR 149 Cb -0.10 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2c97 h THR 149 CO -0.06 0.48 0.27 0.00 0.37 0.00 0.00 175.52 176.57 2c97 h ALA 150 N 0.93 0.64 -0.59 6.16 0.00 -0.85 -1.18 119.26 124.38 2c97 h ALA 150 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2c97 h ALA 150 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2c97 h ALA 150 CO 0.07 -0.07 0.16 -0.07 0.00 0.00 0.00 179.25 179.34 2c97 h LEU 151 N 0.52 0.89 0.04 0.00 3.38 -1.17 -1.01 115.31 117.96 2c97 h LEU 151 Ca 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2c97 h LEU 151 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2c97 h LEU 151 CO -0.14 0.88 -0.02 0.74 0.09 0.00 0.00 178.44 179.99 2c97 h THR 152 N 0.85 1.01 -0.66 0.22 2.02 -1.18 -1.72 112.91 113.45 2c97 h THR 152 Ca 0.19 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.28 2c97 h THR 152 Cb 0.33 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 2c97 h THR 152 CO -0.00 0.04 0.43 -0.07 0.37 0.00 0.00 175.52 176.29 2c97 h LEU 153 N -0.12 0.57 -0.29 2.58 3.38 -1.09 0.36 115.31 120.70 2c97 h LEU 153 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2c97 h LEU 153 Cb 0.10 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2c97 h LEU 153 CO 0.01 0.37 0.16 -0.09 0.09 0.00 0.00 178.44 178.98 2c97 h ARG 154 N 0.65 0.32 -0.04 1.13 9.65 -0.75 -1.13 114.38 124.20 2c97 h ARG 154 Ca 0.28 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 59.02 2c97 h ARG 154 Cb 0.28 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2c97 h ARG 154 CO -0.09 0.21 -0.54 0.93 2.80 0.00 0.00 179.97 183.28 2c97 h GLU 155 N 0.33 0.12 -0.05 0.20 4.39 -0.41 -3.19 114.58 115.97 2c97 h GLU 155 Ca 0.12 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 2c97 h GLU 155 Cb 0.02 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2c97 h GLU 155 CO -0.07 0.63 -0.72 -0.07 -1.16 0.00 0.00 179.01 177.63 2c97 h LEU 156 N 0.10 0.32 0.00 1.33 3.38 -0.69 -3.47 115.31 116.28 2c97 h LEU 156 Ca -0.00 -0.21 -0.45 0.00 0.09 0.00 0.00 57.88 57.30 2c97 h LEU 156 Cb 0.98 -0.09 0.14 0.00 0.09 0.00 0.00 40.66 41.77 2c97 h LEU 156 CO 0.08 0.93 0.29 0.54 0.09 0.00 0.00 178.44 180.37 2c97 n ARG 157 N -3.80 -0.80 -1.99 1.13 1.74 -0.45 -4.99 116.66 107.50 2c97 n ARG 157 Ca -0.03 -2.39 -0.42 0.00 -0.77 0.00 0.00 57.85 54.23 2c97 n ARG 157 Cb 0.70 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 31.03 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 -3.63 3.63 0.25 7.54 0.00 -1.26 -4.98 121.76 123.31 2c97 s ALA 158 Ca 0.73 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 53.56 2c97 s ALA 158 Cb -0.03 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.39 2c97 s ALA 158 CO 0.50 -1.25 0.59 -3.38 0.00 0.00 0.00 175.76 172.22 2c97 s HIS 159 N 3.39 0.04 -0.25 0.00 -3.43 -1.26 -5.11 115.29 108.67 2c97 s HIS 159 Ca 0.73 -0.44 0.02 0.00 -0.80 0.00 0.00 55.06 54.57 2c97 s HIS 159 Cb -0.36 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.25 2c97 s HIS 159 CO 0.31 -1.08 0.56 0.43 -2.00 0.00 0.00 174.74 172.96