#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t13 s SER 12 N 0.00 4.07 0.34 8.00 0.01 -1.26 -4.54 113.70 120.33 1t13 s SER 12 Ca 0.00 -1.51 0.01 0.00 1.31 0.00 0.00 55.95 55.76 1t13 s SER 12 Cb 0.00 -1.18 -0.00 0.00 0.21 0.00 0.00 66.02 65.05 1t13 s SER 12 CO 0.00 -0.32 0.43 2.22 0.41 0.00 0.00 173.24 175.98 1t13 n PHE 13 N 4.63 -1.27 -4.82 2.43 1.16 -1.21 -4.97 117.46 113.41 1t13 n PHE 13 Ca -0.06 -2.47 -0.33 0.00 -1.87 0.00 0.00 57.45 52.73 1t13 n PHE 13 Cb 0.43 0.48 -0.13 0.00 -1.61 0.00 0.00 39.48 38.65 1t13 n PHE 13 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1t13 s LYS 14 N -2.94 2.61 -0.05 3.97 1.02 -1.26 -0.70 119.74 122.39 1t13 s LYS 14 Ca 0.32 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.71 1t13 s LYS 14 Cb -0.00 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1t13 s LYS 14 CO 0.23 0.61 -0.25 0.42 -0.92 0.00 0.00 175.35 175.44 1t13 s ILE 15 N -0.69 2.12 -0.27 2.17 1.01 0.47 -0.07 121.20 125.94 1t13 s ILE 15 Ca 0.10 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 1t13 s ILE 15 Cb -0.11 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1t13 s ILE 15 CO 0.01 0.57 0.32 0.00 0.00 0.00 0.00 174.94 175.85 1t13 s ALA 16 N -0.30 3.56 -0.45 9.38 0.00 -0.58 -0.49 121.76 132.89 1t13 s ALA 16 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1t13 s ALA 16 Cb -0.13 -2.64 0.09 0.00 0.00 0.00 0.00 23.12 20.44 1t13 s ALA 16 CO 0.02 -0.60 0.32 0.12 0.00 0.00 0.00 175.76 175.62 1t13 s PHE 17 N 1.93 3.34 -0.53 0.00 5.36 0.28 0.10 117.98 128.47 1t13 s PHE 17 Ca 0.13 -1.49 -0.18 0.00 -0.96 0.00 0.00 56.93 54.43 1t13 s PHE 17 Cb -0.16 -3.17 0.08 0.00 -0.34 0.00 0.00 43.02 39.43 1t13 s PHE 17 CO 0.10 -0.88 0.59 0.42 -1.46 0.00 0.00 175.22 173.98 1t13 s ILE 18 N 1.46 4.96 -0.19 3.12 1.01 0.19 -0.22 121.20 131.54 1t13 s ILE 18 Ca 0.04 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1t13 s ILE 18 Cb -0.24 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1t13 s ILE 18 CO 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 174.94 174.16 1t13 s GLN 19 N 2.35 3.90 0.64 2.79 -2.07 -0.44 -0.48 119.66 126.36 1t13 s GLN 19 Ca 0.11 -0.38 -0.14 0.00 -1.82 0.00 0.00 55.36 53.13 1t13 s GLN 19 Cb -0.23 -3.19 -0.02 0.00 -1.09 0.00 0.00 33.01 28.49 1t13 s GLN 19 CO 0.08 0.22 1.06 0.00 -1.32 0.00 0.00 175.29 175.34 1t13 s ALA 20 N 0.51 2.68 -1.93 2.60 0.00 0.24 -1.36 121.76 124.50 1t13 s ALA 20 Ca 0.02 0.30 0.24 0.00 0.00 0.00 0.00 51.96 52.52 1t13 s ALA 20 Cb -0.13 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 19.96 1t13 s ALA 20 CO 0.01 -1.01 1.21 0.54 0.00 0.00 0.00 175.76 176.51 1t13 n ARG 21 N -2.46 1.08 -2.26 0.00 5.12 0.11 -4.69 116.66 113.56 1t13 n ARG 21 Ca 0.08 -0.84 -0.41 0.00 -1.93 0.00 0.00 57.85 54.76 1t13 n ARG 21 Cb 0.53 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.32 1t13 n ARG 21 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1t13 s TRP 22 N -2.50 3.28 -1.55 -1.55 0.52 -1.20 -2.27 118.94 113.67 1t13 s TRP 22 Ca 0.20 1.40 -0.01 0.00 0.02 0.00 0.00 56.10 57.71 1t13 s TRP 22 Cb 0.18 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.97 1t13 s TRP 22 CO 0.57 -1.51 0.08 0.72 0.02 0.00 0.00 176.95 176.82 1t13 n HIS 23 N 1.75 -1.25 -0.34 -1.98 8.25 -1.26 -4.54 115.22 115.85 1t13 n HIS 23 Ca 0.02 0.07 0.07 0.00 -0.26 0.00 0.00 57.72 57.62 1t13 n HIS 23 Cb 0.43 -3.67 0.15 0.00 1.12 0.00 0.00 29.99 28.01 1t13 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t13 n ALA 24 N -2.29 0.25 -0.32 -1.41 0.00 -0.96 0.36 120.51 116.14 1t13 n ALA 24 Ca -0.20 1.04 0.18 0.00 0.00 0.00 0.00 53.44 54.47 1t13 n ALA 24 Cb 0.66 -0.64 0.43 0.00 0.00 0.00 0.00 19.45 19.90 1t13 n ALA 24 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1t13 h ASP 25 N 0.00 0.58 0.12 0.00 2.03 -1.89 0.85 116.42 118.11 1t13 h ASP 25 Ca 0.47 0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.85 1t13 h ASP 25 Cb 0.74 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1t13 h ASP 25 CO -0.97 0.16 -0.06 0.40 -1.03 0.00 0.00 179.24 177.74 1t13 h ILE 26 N 0.54 0.42 -0.74 4.15 1.08 -0.46 -3.31 117.51 119.18 1t13 h ILE 26 Ca 0.57 -1.13 0.14 0.00 -0.39 0.00 0.00 64.86 64.05 1t13 h ILE 26 Cb 1.22 0.75 -0.09 0.00 -3.07 0.00 0.00 36.82 35.63 1t13 h ILE 26 CO -0.32 0.13 0.30 0.58 -0.69 0.00 0.00 178.15 178.15 1t13 h VAL 27 N -1.00 0.68 -0.89 1.67 2.07 -0.62 -0.94 116.25 117.20 1t13 h VAL 27 Ca -0.02 -0.16 0.16 0.00 0.82 0.00 0.00 66.70 67.51 1t13 h VAL 27 Cb 0.33 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 1t13 h VAL 27 CO 0.03 0.08 0.58 0.44 0.02 0.00 0.00 177.57 178.72 1t13 h ASP 28 N 0.45 0.59 -0.69 0.57 3.45 0.57 0.10 116.42 121.46 1t13 h ASP 28 Ca 0.40 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.91 1t13 h ASP 28 Cb 0.60 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.26 1t13 h ASP 28 CO -0.39 0.28 0.44 -0.33 -1.57 0.00 0.00 179.24 177.67 1t13 h GLU 29 N 0.61 0.92 -0.37 3.56 3.07 -1.26 0.31 114.58 121.42 1t13 h GLU 29 Ca 0.46 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 59.11 1t13 h GLU 29 Cb 0.85 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 1t13 h GLU 29 CO -0.21 0.63 -0.31 0.00 -1.40 0.00 0.00 179.01 177.72 1t13 h ALA 30 N 1.54 0.54 0.73 3.43 0.00 -1.02 -1.61 119.26 122.87 1t13 h ALA 30 Ca 0.25 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1t13 h ALA 30 Cb -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1t13 h ALA 30 CO -0.05 0.59 -0.35 -0.09 0.00 0.00 0.00 179.25 179.35 1t13 h ARG 31 N 0.68 -0.94 -0.81 0.00 2.43 -0.80 0.27 114.38 115.20 1t13 h ARG 31 Ca 0.07 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.50 1t13 h ARG 31 Cb 0.89 0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 30.52 1t13 h ARG 31 CO 0.08 -0.63 0.12 0.87 -1.51 0.00 0.00 179.97 178.90 1t13 h LYS 32 N -1.18 0.16 -0.01 0.20 1.57 -0.47 0.23 116.57 117.06 1t13 h LYS 32 Ca -0.10 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1t13 h LYS 32 Cb 0.75 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1t13 h LYS 32 CO 0.16 0.10 0.00 1.03 -0.57 0.00 0.00 179.45 180.18 1t13 h SER 33 N 0.16 0.02 -0.26 0.86 0.87 -1.23 -0.16 113.55 113.82 1t13 h SER 33 Ca 0.48 -0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 1t13 h SER 33 Cb 0.90 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.77 1t13 h SER 33 CO -0.66 0.27 -0.31 0.15 -0.53 0.00 0.00 176.83 175.76 1t13 h PHE 34 N -0.23 -0.85 -0.25 2.24 3.57 0.21 0.38 116.94 122.01 1t13 h PHE 34 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1t13 h PHE 34 Cb 0.26 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1t13 h PHE 34 CO 0.01 -0.38 0.15 0.28 -2.23 0.00 0.00 178.31 176.14 1t13 h VAL 35 N -0.31 1.11 -0.82 1.41 2.07 -0.63 -2.23 116.25 116.85 1t13 h VAL 35 Ca 0.13 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1t13 h VAL 35 Cb 0.53 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1t13 h VAL 35 CO -0.43 0.10 0.54 0.00 0.02 0.00 0.00 177.57 177.80 1t13 h ALA 36 N 1.04 1.43 -0.10 1.67 0.00 -0.46 0.28 119.26 123.12 1t13 h ALA 36 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1t13 h ALA 36 Cb 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1t13 h ALA 36 CO -0.02 0.52 0.02 0.93 0.00 0.00 0.00 179.25 180.70 1t13 h GLU 37 N 1.09 0.16 -0.40 0.00 4.39 -0.63 -0.35 114.58 118.84 1t13 h GLU 37 Ca 0.30 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.96 1t13 h GLU 37 Cb -0.10 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1t13 h GLU 37 CO -0.07 0.36 0.26 -0.07 -1.16 0.00 0.00 179.01 178.33 1t13 h LEU 38 N -0.06 0.47 0.08 1.33 3.38 -1.16 0.47 115.31 119.83 1t13 h LEU 38 Ca 0.03 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1t13 h LEU 38 Cb 0.28 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1t13 h LEU 38 CO 0.00 0.36 -0.50 0.00 0.09 0.00 0.00 178.44 178.39 1t13 h ALA 39 N 1.13 -0.91 0.11 1.53 0.00 -0.78 1.47 119.26 121.82 1t13 h ALA 39 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1t13 h ALA 39 Cb -0.04 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1t13 h ALA 39 CO -0.03 -1.08 -0.22 0.00 0.00 0.00 0.00 179.25 177.92 1t13 h ALA 40 N -0.39 -0.37 0.00 0.00 0.00 -0.69 0.47 119.26 118.28 1t13 h ALA 40 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1t13 h ALA 40 Cb 0.73 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t13 h ALA 40 CO -0.30 -0.75 -0.18 0.87 0.00 0.00 0.00 179.25 178.89 1t13 h LYS 41 N -0.41 0.00 0.00 0.00 1.79 0.35 -3.24 116.57 115.05 1t13 h LYS 41 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1t13 h LYS 41 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1t13 h LYS 41 CO -0.12 0.18 -0.01 0.25 -1.08 0.00 0.00 179.45 178.67 1t13 n THR 42 N -3.55 1.75 -1.32 -0.16 -2.24 0.50 -4.97 114.28 104.28 1t13 n THR 42 Ca -0.01 -2.07 -0.09 0.00 -2.27 0.00 0.00 64.05 59.61 1t13 n THR 42 Cb 0.33 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1t13 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t13 n GLY 43 N -1.30 0.74 0.39 3.38 0.00 0.16 0.91 105.19 109.48 1t13 n GLY 43 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1t13 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t13 n GLY 44 N -0.19 0.43 0.34 -0.02 0.00 -1.05 -4.94 105.19 99.75 1t13 n GLY 44 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1t13 n GLY 44 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1t13 h SER 45 N 0.00 0.70 -3.39 1.61 0.02 0.22 -3.37 113.55 109.34 1t13 h SER 45 Ca 0.00 0.10 -0.60 0.00 -0.84 0.00 0.00 61.79 60.45 1t13 h SER 45 Cb 0.00 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.42 1t13 h SER 45 CO 0.00 0.24 0.25 -0.69 -1.14 0.00 0.00 176.83 175.49 1t13 s VAL 46 N -5.88 4.95 -0.20 2.27 1.01 -1.26 -3.34 120.40 117.95 1t13 s VAL 46 Ca -0.11 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.03 1t13 s VAL 46 Cb 0.24 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1t13 s VAL 46 CO 0.80 0.03 0.34 -1.61 0.00 0.00 0.00 175.10 174.66 1t13 s GLU 47 N 2.34 4.17 -0.35 2.72 2.02 0.13 -4.80 118.70 124.93 1t13 s GLU 47 Ca 0.30 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.35 1t13 s GLU 47 Cb -0.16 -3.52 0.06 0.00 0.10 0.00 0.00 34.13 30.61 1t13 s GLU 47 CO 0.09 0.01 0.10 0.08 0.02 0.00 0.00 175.26 175.57 1t13 s VAL 48 N 1.16 3.46 -0.20 2.63 1.01 -1.26 -0.40 120.40 126.81 1t13 s VAL 48 Ca 0.17 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.52 1t13 s VAL 48 Cb -0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1t13 s VAL 48 CO 0.07 -0.28 0.64 -1.61 0.00 0.00 0.00 175.10 173.91 1t13 s GLU 49 N 1.30 4.21 0.03 2.72 2.02 0.36 -4.90 118.70 124.45 1t13 s GLU 49 Ca -0.01 0.62 -0.24 0.00 0.02 0.00 0.00 54.97 55.36 1t13 s GLU 49 Cb -0.21 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.39 1t13 s GLU 49 CO 0.00 -0.25 0.75 0.42 0.02 0.00 0.00 175.26 176.20 1t13 s ILE 50 N 1.94 4.77 -0.20 -1.63 1.09 -1.26 -0.55 121.20 125.36 1t13 s ILE 50 Ca 0.29 1.58 -0.01 0.00 -1.10 0.00 0.00 60.65 61.41 1t13 s ILE 50 Cb -0.16 -4.09 0.06 0.00 -1.06 0.00 0.00 42.46 37.20 1t13 s ILE 50 CO 0.10 0.36 -0.02 -0.36 -0.10 0.00 0.00 174.94 174.92 1t13 s PHE 51 N 0.00 1.70 0.68 3.97 0.40 0.70 -4.92 117.98 120.51 1t13 s PHE 51 Ca 0.38 -1.24 -0.12 0.00 -0.60 0.00 0.00 56.93 55.35 1t13 s PHE 51 Cb -0.20 -1.30 0.01 0.00 0.51 0.00 0.00 43.02 42.04 1t13 s PHE 51 CO 0.22 -0.67 1.07 -0.51 0.70 0.00 0.00 175.22 176.03 1t13 s ASP 52 N 1.63 5.28 -0.17 1.36 1.11 -1.26 -1.33 116.67 123.30 1t13 s ASP 52 Ca -0.02 1.73 -0.25 0.00 0.18 0.00 0.00 52.55 54.18 1t13 s ASP 52 Cb -0.17 -2.51 0.06 0.00 1.07 0.00 0.00 42.92 41.37 1t13 s ASP 52 CO -0.07 -1.51 0.65 -0.69 1.18 0.00 0.00 175.17 174.73 1t13 s VAL 53 N -2.83 0.00 0.00 -1.27 1.01 -0.46 -4.84 120.40 112.01 1t13 s VAL 53 Ca 0.60 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1t13 s VAL 53 Cb -0.15 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1t13 s VAL 53 CO 0.50 -0.01 0.98 -2.65 0.00 0.00 0.00 175.10 173.91 1t13 n PRO 54 N 2.04 0.00 -4.13 2.72 -0.02 -1.26 0.07 135.00 134.41 1t13 n PRO 54 Ca -0.16 0.87 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1t13 n PRO 54 Cb 0.56 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1t13 n PRO 54 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1t13 s GLY 55 N -0.95 1.40 0.33 -1.23 0.00 -1.26 -0.97 107.32 104.63 1t13 s GLY 55 Ca 0.00 -1.52 0.12 0.00 0.00 0.00 0.00 44.72 43.32 1t13 s GLY 55 CO 0.00 -1.11 1.65 0.00 0.00 0.00 0.00 173.10 173.64 1t13 h ALA 56 N 2.30 1.80 -0.06 3.20 0.00 -1.91 0.18 119.26 124.75 1t13 h ALA 56 Ca -0.30 0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1t13 h ALA 56 Cb 1.24 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1t13 h ALA 56 CO 0.42 -0.57 0.11 -0.92 0.00 0.00 0.00 179.25 178.29 1t13 h TYR 57 N 0.27 0.00 0.00 0.00 3.20 -1.97 -0.40 116.97 118.07 1t13 h TYR 57 Ca 0.70 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.57 1t13 h TYR 57 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1t13 h TYR 57 CO -0.08 0.00 -0.29 0.39 -1.64 0.00 0.00 178.16 176.53 1t13 n GLU 58 N -3.49 0.11 -0.04 1.82 4.71 0.62 -4.35 120.64 120.02 1t13 n GLU 58 Ca -0.01 0.05 -0.12 0.00 -0.01 0.00 0.00 57.16 57.07 1t13 n GLU 58 Cb 0.20 -1.59 -0.06 0.00 -1.01 0.00 0.00 31.44 28.98 1t13 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1t13 h ILE 59 N 0.00 1.22 -0.03 -3.67 2.04 -1.14 -3.08 117.51 112.85 1t13 h ILE 59 Ca 0.00 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1t13 h ILE 59 Cb 0.59 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1t13 h ILE 59 CO 0.00 0.20 -0.32 -0.65 0.00 0.00 0.00 178.15 177.38 1t13 h PRO 60 N 0.01 -0.37 -0.27 2.37 0.11 -1.76 0.20 132.00 132.29 1t13 h PRO 60 Ca 0.04 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.23 1t13 h PRO 60 Cb 0.29 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.43 1t13 h PRO 60 CO 0.00 -0.24 -0.10 1.25 -0.21 0.00 0.00 178.00 178.70 1t13 h LEU 61 N -0.38 -0.33 -0.60 2.35 5.85 -1.85 0.21 115.31 120.55 1t13 h LEU 61 Ca 0.01 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.94 1t13 h LEU 61 Cb 0.42 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 1t13 h LEU 61 CO -0.23 -0.12 0.09 -0.74 -0.34 0.00 0.00 178.44 177.09 1t13 h HIS 62 N -0.04 0.12 -0.63 1.25 2.76 -1.40 0.42 115.15 117.62 1t13 h HIS 62 Ca 0.14 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1t13 h HIS 62 Cb 0.25 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 1t13 h HIS 62 CO -0.29 -0.08 0.25 0.00 -1.30 0.00 0.00 177.93 176.51 1t13 h ALA 63 N 1.50 0.82 0.77 5.26 0.00 0.78 0.22 119.26 128.61 1t13 h ALA 63 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1t13 h ALA 63 Cb 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1t13 h ALA 63 CO -0.44 0.44 -0.42 -0.22 0.00 0.00 0.00 179.25 178.61 1t13 h LYS 64 N 0.89 -1.06 -0.61 0.00 3.64 0.16 0.95 116.57 120.53 1t13 h LYS 64 Ca 0.21 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.79 1t13 h LYS 64 Cb 0.21 0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 32.16 1t13 h LYS 64 CO -0.02 -0.71 -0.11 1.15 -2.27 0.00 0.00 179.45 177.50 1t13 h THR 65 N -1.10 0.41 -0.35 1.00 2.02 -0.09 0.11 112.91 114.90 1t13 h THR 65 Ca -0.10 -0.01 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 1t13 h THR 65 Cb 0.87 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1t13 h THR 65 CO 0.14 0.01 -0.36 -0.07 0.37 0.00 0.00 175.52 175.61 1t13 h LEU 66 N 0.03 0.86 0.58 2.58 3.38 -0.31 -3.22 115.31 119.22 1t13 h LEU 66 Ca 0.30 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1t13 h LEU 66 Cb 0.48 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1t13 h LEU 66 CO -0.60 1.13 -0.28 0.00 0.09 0.00 0.00 178.44 178.78 1t13 h ALA 67 N 0.92 -0.78 -0.08 1.53 0.00 0.20 -2.77 119.26 118.28 1t13 h ALA 67 Ca 0.06 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1t13 h ALA 67 Cb 0.91 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t13 h ALA 67 CO 0.08 -0.89 0.40 0.00 0.00 0.00 0.00 179.25 178.84 1t13 h ARG 68 N -0.86 0.00 0.00 0.00 3.08 -1.07 0.76 114.38 116.28 1t13 h ARG 68 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1t13 h ARG 68 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1t13 h ARG 68 CO 0.13 0.00 -0.08 1.79 -1.07 0.00 0.00 179.97 180.74 1t13 h THR 69 N 0.00 0.44 0.00 2.04 1.35 -1.49 -3.45 112.91 111.80 1t13 h THR 69 Ca 0.04 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1t13 h THR 69 Cb 0.84 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1t13 h THR 69 CO -0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1t13 n GLY 70 N -0.77 1.11 0.31 5.82 0.00 0.26 -4.86 105.19 107.06 1t13 n GLY 70 Ca -0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.20 1t13 n GLY 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1t13 h ARG 71 N 2.29 0.00 -6.66 1.61 2.43 -1.79 -3.44 114.38 108.82 1t13 h ARG 71 Ca 0.00 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.47 1t13 h ARG 71 Cb 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.27 1t13 h ARG 71 CO 0.00 0.00 -0.89 0.71 -1.51 0.00 0.00 179.97 178.28 1t13 s TYR 72 N -3.91 2.33 -0.25 2.20 1.51 -1.26 -4.50 117.35 113.46 1t13 s TYR 72 Ca -0.02 -0.43 0.20 0.00 -1.01 0.00 0.00 57.07 55.81 1t13 s TYR 72 Cb 0.11 -1.45 0.31 0.00 -0.11 0.00 0.00 41.96 40.82 1t13 s TYR 72 CO 0.47 0.03 1.57 0.00 -1.11 0.00 0.00 175.55 176.51 1t13 h ALA 73 N 5.19 0.86 -1.83 3.71 0.00 -0.77 -3.46 119.26 122.95 1t13 h ALA 73 Ca -0.45 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.26 1t13 h ALA 73 Cb 1.13 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.68 1t13 h ALA 73 CO 0.46 0.29 0.35 0.00 0.00 0.00 0.00 179.25 180.35 1t13 s ALA 74 N -3.16 -1.84 0.02 0.00 0.00 -1.23 -4.36 121.76 111.20 1t13 s ALA 74 Ca 0.05 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.51 1t13 s ALA 74 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1t13 s ALA 74 CO 0.69 -0.36 -0.25 0.42 0.00 0.00 0.00 175.76 176.26 1t13 s ILE 75 N -1.25 2.04 -0.11 0.00 1.01 0.21 -1.52 121.20 121.59 1t13 s ILE 75 Ca -0.06 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.36 1t13 s ILE 75 Cb -0.00 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1t13 s ILE 75 CO 0.05 0.42 -0.24 -0.69 0.00 0.00 0.00 174.94 174.49 1t13 s VAL 76 N -0.73 2.07 -0.26 2.92 1.01 0.29 0.85 120.40 126.55 1t13 s VAL 76 Ca 0.11 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1t13 s VAL 76 Cb -0.10 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1t13 s VAL 76 CO 0.01 0.56 0.13 -0.83 0.00 0.00 0.00 175.10 174.96 1t13 s GLY 77 N 0.42 1.86 -0.12 4.51 0.00 0.01 0.56 107.32 114.56 1t13 s GLY 77 Ca -0.17 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1t13 s GLY 77 CO 0.07 0.54 -0.16 0.00 0.00 0.00 0.00 173.10 173.55 1t13 s ALA 78 N 1.54 1.81 0.03 3.20 0.00 0.37 0.11 121.76 128.82 1t13 s ALA 78 Ca 0.06 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 1t13 s ALA 78 Cb -0.15 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.17 1t13 s ALA 78 CO 0.07 -0.11 0.79 0.00 0.00 0.00 0.00 175.76 176.50 1t13 s ALA 79 N 1.03 -1.76 -0.33 0.00 0.00 0.19 -0.59 121.76 120.31 1t13 s ALA 79 Ca -0.05 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1t13 s ALA 79 Cb -0.15 0.43 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1t13 s ALA 79 CO -0.03 -0.65 0.04 0.12 0.00 0.00 0.00 175.76 175.24 1t13 s PHE 80 N -2.97 3.51 -0.39 0.00 5.99 -1.26 -0.42 117.98 122.44 1t13 s PHE 80 Ca 0.02 -2.49 -0.11 0.00 0.00 0.00 0.00 56.93 54.35 1t13 s PHE 80 Cb -0.01 -2.61 0.04 0.00 0.00 0.00 0.00 43.02 40.44 1t13 s PHE 80 CO -0.08 -0.91 0.24 0.08 -0.00 0.00 0.00 175.22 174.55 1t13 s VAL 81 N 1.07 4.64 0.31 3.12 1.01 0.42 -4.84 120.40 126.12 1t13 s VAL 81 Ca 0.03 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.16 1t13 s VAL 81 Cb -0.20 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1t13 s VAL 81 CO -0.05 -0.32 -0.14 0.27 0.00 0.00 0.00 175.10 174.86 1t13 s ILE 82 N 1.55 2.29 -0.53 2.22 -4.36 -1.26 -4.11 121.20 116.99 1t13 s ILE 82 Ca 0.02 -2.29 -0.23 0.00 -0.26 0.00 0.00 60.65 57.89 1t13 s ILE 82 Cb -0.20 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.08 1t13 s ILE 82 CO 0.06 -0.31 0.88 -0.62 0.24 0.00 0.00 174.94 175.20 1t13 s ASP 83 N -3.55 6.33 -0.04 4.36 -1.08 -1.26 -4.65 116.67 116.78 1t13 s ASP 83 Ca 0.31 -0.42 0.04 0.00 -0.52 0.00 0.00 52.55 51.96 1t13 s ASP 83 Cb -0.01 -2.41 0.20 0.00 -1.46 0.00 0.00 42.92 39.25 1t13 s ASP 83 CO 0.15 -1.15 0.92 0.61 0.52 0.00 0.00 175.17 176.23 1t13 n GLY 84 N 5.11 1.28 3.58 2.66 0.00 -1.26 -4.71 105.19 111.85 1t13 n GLY 84 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1t13 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t13 n GLY 85 N 0.36 0.87 0.29 -0.02 0.00 -1.26 -4.77 105.19 100.66 1t13 n GLY 85 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1t13 n GLY 85 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1t13 n ILE 86 N -2.00 0.17 -3.23 -0.61 5.41 -1.26 -5.06 119.36 112.77 1t13 n ILE 86 Ca 0.00 0.34 -0.19 0.00 1.00 0.00 0.00 62.75 63.91 1t13 n ILE 86 Cb 0.00 -1.45 -0.01 0.00 -0.71 0.00 0.00 39.64 37.47 1t13 n ILE 86 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1t13 s TYR 87 N -1.20 2.75 0.11 1.39 1.51 -1.26 -5.09 117.35 115.57 1t13 s TYR 87 Ca -0.02 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.31 1t13 s TYR 87 Cb 0.00 -2.29 -0.06 0.00 -0.11 0.00 0.00 41.96 39.50 1t13 s TYR 87 CO 0.04 -0.31 0.88 1.03 -1.11 0.00 0.00 175.55 176.08 1t13 s ARG 88 N -4.27 4.64 -0.19 -0.62 0.52 -1.26 -4.41 118.95 113.37 1t13 s ARG 88 Ca 0.52 1.31 0.17 0.00 -0.52 0.00 0.00 55.73 57.22 1t13 s ARG 88 Cb -0.07 -3.35 -0.24 0.00 0.52 0.00 0.00 34.95 31.81 1t13 s ARG 88 CO 0.31 0.31 0.08 -2.39 0.02 0.00 0.00 175.30 173.63 1t13 n HIS 89 N 2.51 0.00 -0.34 -0.53 1.44 -1.26 -4.51 115.22 112.53 1t13 n HIS 89 Ca -0.00 0.00 0.24 0.00 -2.01 0.00 0.00 57.72 55.95 1t13 n HIS 89 Cb 0.49 -0.94 0.51 0.00 0.12 0.00 0.00 29.99 30.18 1t13 n HIS 89 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 1t13 h ASP 90 N 0.00 0.44 0.50 4.39 3.04 -1.92 -0.75 116.42 122.12 1t13 h ASP 90 Ca -0.51 0.10 -0.02 0.00 -3.24 0.00 0.00 57.03 53.36 1t13 h ASP 90 Cb 2.15 0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 40.47 1t13 h ASP 90 CO 0.03 0.05 -0.38 -0.26 -2.04 0.00 0.00 179.24 176.64 1t13 h PHE 91 N 0.37 -1.02 -0.47 4.15 -1.00 -2.00 0.47 116.94 117.44 1t13 h PHE 91 Ca 0.63 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.45 1t13 h PHE 91 Cb 1.62 0.38 -0.04 0.00 3.61 0.00 0.00 35.95 41.52 1t13 h PHE 91 CO -0.00 -0.53 0.23 0.28 -1.61 0.00 0.00 178.31 176.68 1t13 h VAL 92 N -0.84 0.97 -0.52 -0.55 2.07 -1.72 0.11 116.25 115.77 1t13 h VAL 92 Ca -0.07 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.39 1t13 h VAL 92 Cb 0.70 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1t13 h VAL 92 CO 0.02 0.08 -0.34 0.00 0.02 0.00 0.00 177.57 177.36 1t13 h ALA 93 N 1.25 -0.12 0.50 1.67 0.00 -0.84 0.13 119.26 121.85 1t13 h ALA 93 Ca 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1t13 h ALA 93 Cb 0.11 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1t13 h ALA 93 CO -0.14 -0.71 -0.45 1.15 0.00 0.00 0.00 179.25 179.11 1t13 h THR 94 N -0.20 0.11 -0.94 0.00 2.02 0.63 -0.03 112.91 114.50 1t13 h THR 94 Ca 0.21 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.66 1t13 h THR 94 Cb 0.55 0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 66.93 1t13 h THR 94 CO -0.63 0.00 0.40 0.00 0.37 0.00 0.00 175.52 175.66 1t13 h ALA 95 N -0.68 1.61 0.00 6.16 0.00 0.09 0.35 119.26 126.79 1t13 h ALA 95 Ca -0.05 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1t13 h ALA 95 Cb 0.81 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1t13 h ALA 95 CO -0.03 -0.50 -0.00 0.28 0.00 0.00 0.00 179.25 178.99 1t13 h VAL 96 N 0.28 1.60 -0.90 0.00 2.07 -0.54 0.60 116.25 119.36 1t13 h VAL 96 Ca 0.64 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1t13 h VAL 96 Cb 1.37 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.94 1t13 h VAL 96 CO -0.63 0.47 0.57 0.40 0.02 0.00 0.00 177.57 178.41 1t13 h ILE 97 N -0.80 1.24 -0.13 4.57 1.08 -0.14 0.10 117.51 123.43 1t13 h ILE 97 Ca -0.00 -0.47 -0.07 0.00 -0.39 0.00 0.00 64.86 63.93 1t13 h ILE 97 Cb 0.78 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1t13 h ILE 97 CO 0.00 0.24 -0.20 0.78 -0.69 0.00 0.00 178.15 178.28 1t13 h ASN 98 N 1.22 0.40 -0.49 1.72 -0.26 -0.40 -2.90 115.58 114.87 1t13 h ASN 98 Ca 0.33 -0.53 0.08 0.00 -0.56 0.00 0.00 56.30 55.62 1t13 h ASN 98 Cb -0.11 -0.11 -0.10 0.00 -1.06 0.00 0.00 38.32 36.94 1t13 h ASN 98 CO -0.07 0.85 -0.41 1.23 -1.06 0.00 0.00 177.43 177.97 1t13 h GLY 99 N -0.04 -0.44 0.70 2.83 0.00 0.13 0.38 103.07 106.62 1t13 h GLY 99 Ca 0.01 0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.92 1t13 h GLY 99 CO 0.05 -0.18 0.29 -0.33 0.00 0.00 0.00 176.54 176.37 1t13 h MET 100 N -0.27 0.54 0.15 4.80 2.86 -0.90 0.10 114.93 122.22 1t13 h MET 100 Ca 0.17 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1t13 h MET 100 Cb 0.57 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1t13 h MET 100 CO -0.62 0.36 -0.19 1.98 1.06 0.00 0.00 176.91 179.49 1t13 h MET 101 N 0.56 -0.37 0.15 1.72 -1.53 -0.89 -0.20 114.93 114.37 1t13 h MET 101 Ca 0.25 0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.55 1t13 h MET 101 Cb 0.16 0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.24 1t13 h MET 101 CO -0.17 -0.25 -0.53 0.37 0.14 0.00 0.00 176.91 176.47 1t13 h GLN 102 N -0.39 -0.75 -0.38 0.39 4.15 0.29 -1.31 115.11 117.12 1t13 h GLN 102 Ca 0.01 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.53 1t13 h GLN 102 Cb 0.38 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.17 1t13 h GLN 102 CO -0.08 -0.50 -0.53 0.28 -1.93 0.00 0.00 178.83 176.08 1t13 h VAL 103 N -0.78 0.00 -0.75 2.39 2.07 -0.58 -0.01 116.25 118.59 1t13 h VAL 103 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1t13 h VAL 103 Cb 0.77 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1t13 h VAL 103 CO -0.27 0.00 0.50 0.06 0.02 0.00 0.00 177.57 177.88 1t13 h GLN 104 N -0.38 0.49 -0.17 1.57 3.07 -0.83 0.86 115.11 119.71 1t13 h GLN 104 Ca 0.07 -0.03 -0.09 0.00 0.09 0.00 0.00 58.65 58.69 1t13 h GLN 104 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.00 1t13 h GLN 104 CO -0.56 0.32 -0.29 -0.07 0.09 0.00 0.00 178.83 178.32 1t13 h LEU 105 N 0.50 0.33 0.18 0.06 3.38 0.15 0.37 115.31 120.27 1t13 h LEU 105 Ca 0.37 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1t13 h LEU 105 Cb 0.72 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1t13 h LEU 105 CO -0.13 0.61 -0.08 -0.33 0.09 0.00 0.00 178.44 178.60 1t13 h GLU 106 N 0.29 -0.23 0.00 1.13 5.08 0.22 -3.32 114.58 117.75 1t13 h GLU 106 Ca 0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1t13 h GLU 106 Cb 0.66 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1t13 h GLU 106 CO 0.05 -0.09 0.00 0.25 -1.00 0.00 0.00 179.01 178.22 1t13 n THR 107 N -4.93 1.11 -1.68 1.13 -2.24 0.07 -4.85 114.28 102.89 1t13 n THR 107 Ca -0.04 0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.86 1t13 n THR 107 Cb 0.12 -1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 67.09 1t13 n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t13 n GLU 108 N -1.77 -1.47 -4.15 -0.78 -0.58 0.13 -4.94 120.64 107.08 1t13 n GLU 108 Ca 0.02 1.21 -0.34 0.00 -0.42 0.00 0.00 57.16 57.63 1t13 n GLU 108 Cb 0.15 -5.62 -0.15 0.00 -0.57 0.00 0.00 31.44 25.25 1t13 n GLU 108 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1t13 s VAL 109 N -2.80 2.90 -0.21 2.62 1.01 -1.09 -5.03 120.40 117.79 1t13 s VAL 109 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 61.98 60.92 1t13 s VAL 109 Cb 0.00 -2.27 -0.15 0.00 0.00 0.00 0.00 36.38 33.95 1t13 s VAL 109 CO 0.00 0.48 1.72 -2.65 0.00 0.00 0.00 175.10 174.65 1t13 n PRO 110 N 4.50 1.29 -3.98 2.72 -0.02 -1.26 -4.37 135.00 133.88 1t13 n PRO 110 Ca -0.19 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 1t13 n PRO 110 Cb 0.51 -2.17 -0.14 0.00 -0.02 0.00 0.00 33.50 31.67 1t13 n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1t13 s VAL 111 N 3.29 2.64 0.17 -1.45 1.01 -1.25 0.68 120.40 125.47 1t13 s VAL 111 Ca 0.96 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1t13 s VAL 111 Cb -1.01 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 1t13 s VAL 111 CO 0.62 -0.02 0.65 -0.76 0.00 0.00 0.00 175.10 175.59 1t13 s LEU 112 N 1.21 4.41 -0.26 3.92 1.02 0.25 -4.92 118.68 124.31 1t13 s LEU 112 Ca -0.06 1.32 -0.08 0.00 0.02 0.00 0.00 54.13 55.34 1t13 s LEU 112 Cb -0.19 -3.33 -0.03 0.00 0.02 0.00 0.00 46.19 42.66 1t13 s LEU 112 CO -0.03 0.12 0.09 -0.55 0.02 0.00 0.00 176.35 176.00 1t13 s SER 113 N -1.50 5.31 -0.26 2.29 0.15 -1.26 -0.81 113.70 117.62 1t13 s SER 113 Ca 0.38 -0.18 0.13 0.00 0.70 0.00 0.00 55.95 56.99 1t13 s SER 113 Cb -0.18 -1.96 0.47 0.00 -1.71 0.00 0.00 66.02 62.64 1t13 s SER 113 CO 0.21 -0.04 1.17 0.52 1.20 0.00 0.00 173.24 176.29 1t13 n VAL 114 N 4.95 1.97 -3.42 4.45 0.31 0.30 -4.91 118.33 121.98 1t13 n VAL 114 Ca -0.16 -3.56 -0.44 0.00 -0.01 0.00 0.00 64.34 60.17 1t13 n VAL 114 Cb 0.51 -0.17 -0.04 0.00 -0.91 0.00 0.00 33.84 33.23 1t13 n VAL 114 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1t13 s VAL 115 N -4.00 5.20 0.07 2.52 1.01 -1.13 -0.64 120.40 123.43 1t13 s VAL 115 Ca 0.41 -2.71 -0.10 0.00 0.00 0.00 0.00 61.98 59.58 1t13 s VAL 115 Cb 0.38 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1t13 s VAL 115 CO -0.01 -1.01 0.39 -0.76 0.00 0.00 0.00 175.10 173.71 1t13 s LEU 116 N -0.07 4.36 -0.25 3.92 1.02 0.44 -4.89 118.68 123.21 1t13 s LEU 116 Ca 0.19 0.79 -0.01 0.00 0.02 0.00 0.00 54.13 55.12 1t13 s LEU 116 Cb -0.12 -2.93 0.08 0.00 0.02 0.00 0.00 46.19 43.24 1t13 s LEU 116 CO -0.08 0.19 0.04 -0.89 0.02 0.00 0.00 176.35 175.64 1t13 s THR 117 N -1.36 0.90 0.36 5.49 2.01 -1.26 -0.44 115.64 121.34 1t13 s THR 117 Ca 0.32 -1.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1t13 s THR 117 Cb -0.14 -1.48 -0.10 0.00 0.01 0.00 0.00 72.50 70.79 1t13 s THR 117 CO 0.17 -0.39 0.94 -2.16 -0.69 0.00 0.00 174.62 172.50 1t13 s PRO 118 N 1.65 4.46 0.43 4.92 0.04 -1.26 -4.93 135.00 140.30 1t13 s PRO 118 Ca 0.03 1.25 0.12 0.00 0.04 0.00 0.00 61.00 62.43 1t13 s PRO 118 Cb -0.18 -2.59 0.98 0.00 0.04 0.00 0.00 34.50 32.75 1t13 s PRO 118 CO -0.15 0.18 2.02 0.45 0.04 0.00 0.00 177.00 179.54 1t13 h HIS 119 N 2.75 0.44 -2.94 0.56 3.86 -2.00 -3.42 115.15 114.41 1t13 h HIS 119 Ca -0.48 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 58.55 1t13 h HIS 119 Cb 1.19 -0.15 -0.30 0.00 1.06 0.00 0.00 27.41 29.21 1t13 h HIS 119 CO 0.62 0.24 -0.48 -1.01 0.86 0.00 0.00 177.93 178.15 1t13 s HIS 120 N -5.41 -0.39 -0.27 2.45 3.76 -1.26 -4.97 115.29 109.20 1t13 s HIS 120 Ca -0.08 0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 55.71 1t13 s HIS 120 Cb 0.19 0.04 0.13 0.00 1.11 0.00 0.00 32.58 34.05 1t13 s HIS 120 CO 0.74 -0.28 0.29 0.12 -0.85 0.00 0.00 174.74 174.75 1t13 s PHE 121 N 1.66 -0.46 -0.24 1.40 2.19 -1.26 -5.03 117.98 116.24 1t13 s PHE 121 Ca -0.06 -0.03 0.14 0.00 0.33 0.00 0.00 56.93 57.31 1t13 s PHE 121 Cb -0.11 -0.41 0.70 0.00 -1.31 0.00 0.00 43.02 41.89 1t13 s PHE 121 CO -0.09 -0.85 1.64 0.72 1.83 0.00 0.00 175.22 178.47 1t13 n HIS 121 N 5.32 1.73 -3.54 10.12 8.25 -1.26 -4.79 115.22 131.05 1t13 n HIS 121 Ca -0.03 -0.91 -0.22 0.00 -0.26 0.00 0.00 57.72 56.30 1t13 n HIS 121 Cb 0.47 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 31.15 1t13 n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1t13 n GLU 121 N 0.01 -3.03 -4.36 -0.41 1.02 -1.26 -5.01 120.64 107.60 1t13 n GLU 121 Ca 0.28 0.66 -0.19 0.00 -0.02 0.00 0.00 57.16 57.90 1t13 n GLU 121 Cb 1.13 -5.09 -0.10 0.00 -0.02 0.00 0.00 31.44 27.36 1t13 n GLU 121 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1t13 s SER 121 N -3.78 2.43 0.16 1.62 1.04 -1.26 -4.99 113.70 108.91 1t13 s SER 121 Ca 0.29 -1.10 -0.21 0.00 0.48 0.00 0.00 55.95 55.41 1t13 s SER 121 Cb -0.07 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.99 1t13 s SER 121 CO 0.80 -0.29 1.64 0.50 0.98 0.00 0.00 173.24 176.86 1t13 h LYS 122 N 2.48 -0.19 0.01 4.02 1.63 -1.98 0.06 116.57 122.60 1t13 h LYS 122 Ca -0.38 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.46 1t13 h LYS 122 Cb 1.22 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.84 1t13 h LYS 122 CO 0.64 -0.12 -0.45 0.93 -3.45 0.00 0.00 179.45 177.00 1t13 h GLU 123 N -0.19 -0.59 -0.08 1.90 3.07 -1.98 0.68 114.58 117.39 1t13 h GLU 123 Ca 0.15 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1t13 h GLU 123 Cb 0.43 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 1t13 h GLU 123 CO -0.40 -0.39 -0.03 0.45 -1.40 0.00 0.00 179.01 177.23 1t13 h HIS 124 N -0.61 -0.07 -0.13 4.33 3.86 -1.87 0.15 115.15 120.82 1t13 h HIS 124 Ca 0.04 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1t13 h HIS 124 Cb 0.68 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1t13 h HIS 124 CO -0.44 -0.05 0.07 1.25 0.86 0.00 0.00 177.93 179.62 1t13 h HIS 125 N -0.02 0.17 -0.92 2.45 -0.00 -0.70 -1.40 115.15 114.73 1t13 h HIS 125 Ca 0.04 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1t13 h HIS 125 Cb 0.08 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 1t13 h HIS 125 CO -0.14 0.17 0.60 -0.44 -0.00 0.00 0.00 177.93 178.12 1t13 h ASP 126 N 0.12 0.98 0.65 3.26 5.19 0.57 0.04 116.42 127.23 1t13 h ASP 126 Ca 0.05 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1t13 h ASP 126 Cb 0.06 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.35 1t13 h ASP 126 CO -0.01 0.66 -0.35 0.15 -3.12 0.00 0.00 179.24 176.57 1t13 h PHE 127 N 1.14 -0.92 -0.03 4.55 3.57 -0.11 -2.53 116.94 122.61 1t13 h PHE 127 Ca 0.38 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.74 1t13 h PHE 127 Cb 0.05 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1t13 h PHE 127 CO -0.01 -0.55 -0.56 0.74 -2.23 0.00 0.00 178.31 175.69 1t13 h PHE 128 N -0.93 0.11 -0.92 0.41 -1.00 -1.14 0.31 116.94 113.79 1t13 h PHE 128 Ca -0.09 -0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.69 1t13 h PHE 128 Cb 0.73 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.22 1t13 h PHE 128 CO -0.06 0.63 0.60 1.25 -1.61 0.00 0.00 178.31 179.12 1t13 h HIS 129 N 0.07 1.11 0.07 -0.55 2.76 -0.98 0.26 115.15 117.90 1t13 h HIS 129 Ca -0.00 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 1t13 h HIS 129 Cb 1.01 -0.37 0.02 0.00 1.55 0.00 0.00 27.41 29.62 1t13 h HIS 129 CO 0.01 0.63 -0.74 0.00 -1.30 0.00 0.00 177.93 176.53 1t13 h ALA 130 N 1.47 -0.01 -0.33 5.26 0.00 -0.99 -3.35 119.26 121.31 1t13 h ALA 130 Ca 0.37 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1t13 h ALA 130 Cb 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1t13 h ALA 130 CO -0.12 0.38 0.10 1.25 0.00 0.00 0.00 179.25 180.87 1t13 h HIS 131 N -0.20 0.54 -0.93 0.00 6.17 0.20 -2.54 115.15 118.39 1t13 h HIS 131 Ca -0.11 -0.06 0.27 0.00 0.71 0.00 0.00 60.37 61.18 1t13 h HIS 131 Cb 1.50 -0.16 -0.04 0.00 2.52 0.00 0.00 27.41 31.24 1t13 h HIS 131 CO 0.17 0.54 0.76 0.74 0.71 0.00 0.00 177.93 180.85 1t13 h PHE 132 N 0.38 0.00 -0.56 5.26 -1.00 -0.64 1.41 116.94 121.79 1t13 h PHE 132 Ca 0.11 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 1t13 h PHE 132 Cb 0.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1t13 h PHE 132 CO 0.01 0.00 0.22 -0.22 -1.61 0.00 0.00 178.31 176.71 1t13 h LYS 133 N 0.00 0.85 -0.24 1.51 3.64 -1.58 0.29 116.57 121.04 1t13 h LYS 133 Ca 0.44 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1t13 h LYS 133 Cb 1.96 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1t13 h LYS 133 CO -0.00 0.74 0.11 0.28 -2.27 0.00 0.00 179.45 178.30 1t13 h VAL 134 N 0.78 1.15 -0.83 2.00 2.07 0.18 -1.81 116.25 119.79 1t13 h VAL 134 Ca 0.19 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1t13 h VAL 134 Cb 0.21 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1t13 h VAL 134 CO -0.01 0.15 0.53 0.11 0.02 0.00 0.00 177.57 178.36 1t13 h LYS 135 N 0.24 0.99 0.09 1.57 1.79 -1.00 0.56 116.57 120.81 1t13 h LYS 135 Ca 0.08 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1t13 h LYS 135 Cb 0.14 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1t13 h LYS 135 CO -0.01 0.66 -0.17 0.78 -1.08 0.00 0.00 179.45 179.63 1t13 h GLY 136 N 1.02 -0.30 0.50 3.86 0.00 -0.06 0.40 103.07 108.49 1t13 h GLY 136 Ca 0.34 0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.98 1t13 h GLY 136 CO -0.13 -0.16 0.62 -2.08 0.00 0.00 0.00 176.54 174.79 1t13 h VAL 137 N -0.33 0.94 -0.07 4.60 2.07 -0.65 0.13 116.25 122.94 1t13 h VAL 137 Ca 0.03 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1t13 h VAL 137 Cb 0.35 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1t13 h VAL 137 CO -0.10 0.18 0.03 -0.33 0.02 0.00 0.00 177.57 177.38 1t13 h GLU 138 N 1.01 0.09 -0.59 1.57 5.08 0.46 -1.81 114.58 120.38 1t13 h GLU 138 Ca 0.48 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.88 1t13 h GLU 138 Cb 0.44 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1t13 h GLU 138 CO -0.25 0.19 0.39 0.00 -1.00 0.00 0.00 179.01 178.33 1t13 h ALA 139 N 0.90 1.77 0.84 3.43 0.00 0.98 0.75 119.26 127.92 1t13 h ALA 139 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1t13 h ALA 139 Cb 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1t13 h ALA 139 CO -0.00 0.15 -0.40 0.00 0.00 0.00 0.00 179.25 178.99 1t13 h ALA 140 N 1.67 -1.12 -0.38 0.00 0.00 -0.27 0.14 119.26 119.30 1t13 h ALA 140 Ca 0.25 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1t13 h ALA 140 Cb 0.20 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1t13 h ALA 140 CO -0.07 -1.09 0.26 0.45 0.00 0.00 0.00 179.25 178.79 1t13 h HIS 141 N -1.20 0.36 0.06 0.00 -0.00 -0.83 -0.69 115.15 112.86 1t13 h HIS 141 Ca -0.11 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1t13 h HIS 141 Cb 0.87 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.16 1t13 h HIS 141 CO -0.01 0.21 -0.03 0.00 -0.00 0.00 0.00 177.93 178.10 1t13 h ALA 142 N 1.78 -0.09 0.05 2.45 0.00 -0.59 -0.11 119.26 122.76 1t13 h ALA 142 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1t13 h ALA 142 Cb 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1t13 h ALA 142 CO -0.04 -0.38 -0.34 0.00 0.00 0.00 0.00 179.25 178.50 1t13 h ALA 143 N 0.48 -0.53 0.06 0.00 0.00 -0.03 0.46 119.26 119.71 1t13 h ALA 143 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1t13 h ALA 143 Cb 0.37 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1t13 h ALA 143 CO 0.01 -0.87 -0.51 -0.07 0.00 0.00 0.00 179.25 177.82 1t13 h LEU 144 N -0.52 -1.55 -0.33 0.00 3.38 -1.13 0.31 115.31 115.47 1t13 h LEU 144 Ca 0.05 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1t13 h LEU 144 Cb 0.58 0.58 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1t13 h LEU 144 CO -0.24 -0.52 -0.27 1.56 0.09 0.00 0.00 178.44 179.06 1t13 h GLN 145 N -0.69 -0.22 -0.21 1.13 4.20 -0.55 -0.12 115.11 118.66 1t13 h GLN 145 Ca 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1t13 h GLN 145 Cb 0.71 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1t13 h GLN 145 CO -0.30 -0.15 0.10 0.97 -0.67 0.00 0.00 178.83 178.77 1t13 h ILE 146 N -0.23 1.14 -0.91 2.54 6.09 0.28 0.22 117.51 126.64 1t13 h ILE 146 Ca 0.16 -0.40 0.04 0.00 -1.37 0.00 0.00 64.86 63.29 1t13 h ILE 146 Cb 0.49 1.02 -0.06 0.00 0.47 0.00 0.00 36.82 38.75 1t13 h ILE 146 CO -0.46 0.13 0.58 0.58 -3.07 0.00 0.00 178.15 175.92 1t13 h VAL 147 N 0.20 1.12 -0.05 2.19 2.07 -0.71 -0.04 116.25 121.04 1t13 h VAL 147 Ca 0.07 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1t13 h VAL 147 Cb 0.13 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1t13 h VAL 147 CO -0.01 0.20 0.02 -1.28 0.02 0.00 0.00 177.57 176.52 1t13 h SER 148 N 1.11 0.07 -0.55 0.57 0.87 -0.58 -2.64 113.55 112.40 1t13 h SER 148 Ca 0.37 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1t13 h SER 148 Cb 0.05 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1t13 h SER 148 CO -0.13 0.22 0.27 -0.08 -0.53 0.00 0.00 176.83 176.57 1t13 h GLU 149 N -0.09 0.79 0.60 2.24 4.57 -0.07 -2.12 114.58 120.50 1t13 h GLU 149 Ca 0.02 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1t13 h GLU 149 Cb 0.17 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1t13 h GLU 149 CO -0.00 0.63 -0.47 0.00 -1.18 0.00 0.00 179.01 177.99 1t13 h ARG 150 N 0.74 -1.00 -1.07 1.92 3.08 -0.97 -0.96 114.38 116.12 1t13 h ARG 150 Ca 0.19 0.07 0.29 0.00 0.07 0.00 0.00 59.98 60.59 1t13 h ARG 150 Cb 0.10 0.23 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 1t13 h ARG 150 CO -0.03 -0.67 0.70 0.66 -1.07 0.00 0.00 179.97 179.57 1t13 h SER 151 N -1.04 0.38 0.56 7.04 4.64 -1.44 -0.33 113.55 123.36 1t13 h SER 151 Ca -0.08 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1t13 h SER 151 Cb 0.87 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1t13 h SER 151 CO 0.01 0.06 -0.27 -0.09 -0.87 0.00 0.00 176.83 175.67 1t13 h ARG 152 N 0.32 -0.73 0.00 4.77 2.43 -0.56 -2.47 114.38 118.14 1t13 h ARG 152 Ca 0.60 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1t13 h ARG 152 Cb 1.66 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1t13 h ARG 152 CO -0.27 -0.43 0.00 0.44 -1.51 0.00 0.00 179.97 178.21 1t13 n ILE 153 N -5.35 1.48 0.09 1.20 -5.35 -0.41 -0.68 119.36 110.34 1t13 n ILE 153 Ca -0.12 0.37 -0.04 0.00 -0.27 0.00 0.00 62.75 62.69 1t13 n ILE 153 Cb 0.33 -1.24 -0.05 0.00 -1.74 0.00 0.00 39.64 36.94 1t13 n ILE 153 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t13 h ALA 154 N 2.26 0.49 -0.03 -1.28 0.00 -0.66 -3.51 119.26 116.53 1t13 h ALA 154 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1t13 h ALA 154 Cb 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1t13 h ALA 154 CO 0.00 1.07 0.00 0.00 0.00 0.00 0.00 179.25 180.32