#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 4.04 0.28 8.00 0.15 -1.25 -4.23 113.70 120.68 1t13 s SER 12 Ca 0.00 -1.50 -0.17 0.00 0.70 0.00 0.00 55.95 54.98 1t13 s SER 12 Cb 0.00 -1.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.18 1t13 s SER 12 CO 0.00 -0.33 0.63 0.72 1.20 0.00 0.00 173.24 175.46 1t13 s PHE 13 N 1.39 0.09 0.01 3.44 -0.12 -1.10 -4.99 117.98 116.71 1t13 s PHE 13 Ca 0.03 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.39 1t13 s PHE 13 Cb -0.18 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 1t13 s PHE 13 CO -0.12 -1.18 0.07 0.15 -0.05 0.00 0.00 175.22 174.09 1t13 s LYS 14 N -3.78 3.00 -0.05 1.99 1.02 -1.26 -1.29 119.74 119.36 1t13 s LYS 14 Ca 0.16 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.64 1t13 s LYS 14 Cb -0.04 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1t13 s LYS 14 CO 0.09 0.63 -0.14 0.42 -0.92 0.00 0.00 175.35 175.43 1t13 s ILE 15 N -1.22 1.22 -0.48 2.17 1.01 0.11 -0.21 121.20 123.81 1t13 s ILE 15 Ca 0.24 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1t13 s ILE 15 Cb -0.12 -1.08 0.09 0.00 0.01 0.00 0.00 42.46 41.35 1t13 s ILE 15 CO 0.15 0.37 0.39 0.00 0.00 0.00 0.00 174.94 175.85 1t13 s ALA 16 N 0.38 3.53 -0.49 9.38 0.00 -1.01 -0.04 121.76 133.51 1t13 s ALA 16 Ca -0.10 -2.22 -0.24 0.00 0.00 0.00 0.00 51.96 49.41 1t13 s ALA 16 Cb -0.13 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1t13 s ALA 16 CO 0.03 -1.78 0.88 0.12 0.00 0.00 0.00 175.76 175.01 1t13 s PHE 17 N 1.59 2.91 -0.29 0.00 5.36 0.35 -0.91 117.98 126.98 1t13 s PHE 17 Ca 0.04 0.16 -0.14 0.00 -0.96 0.00 0.00 56.93 56.03 1t13 s PHE 17 Cb -0.25 -3.89 -0.03 0.00 -0.34 0.00 0.00 43.02 38.50 1t13 s PHE 17 CO 0.05 -1.14 0.30 0.42 -1.46 0.00 0.00 175.22 173.39 1t13 s ILE 18 N 3.63 5.23 -0.17 3.12 1.01 0.28 -0.55 121.20 133.75 1t13 s ILE 18 Ca 0.32 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.25 1t13 s ILE 18 Cb -0.12 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.70 1t13 s ILE 18 CO 0.22 0.12 -0.20 0.00 0.00 0.00 0.00 174.94 175.09 1t13 s GLN 19 N 1.93 3.03 0.77 2.79 -2.07 0.33 -0.07 119.66 126.38 1t13 s GLN 19 Ca 0.11 -0.82 -0.13 0.00 -1.82 0.00 0.00 55.36 52.70 1t13 s GLN 19 Cb -0.16 -2.55 0.06 0.00 -1.09 0.00 0.00 33.01 29.27 1t13 s GLN 19 CO 0.11 -0.14 1.14 0.00 -1.32 0.00 0.00 175.29 175.08 1t13 s ALA 20 N 1.14 2.06 -2.54 2.60 0.00 0.10 -1.93 121.76 123.18 1t13 s ALA 20 Ca 0.01 0.58 0.24 0.00 0.00 0.00 0.00 51.96 52.79 1t13 s ALA 20 Cb -0.14 -3.38 0.14 0.00 0.00 0.00 0.00 23.12 19.74 1t13 s ALA 20 CO -0.09 -1.96 1.21 0.54 0.00 0.00 0.00 175.76 175.46 1t13 n ARG 21 N -3.26 1.79 -2.29 0.00 5.12 0.13 -4.72 116.66 113.44 1t13 n ARG 21 Ca 0.11 -1.47 -0.42 0.00 -1.93 0.00 0.00 57.85 54.14 1t13 n ARG 21 Cb 0.52 -1.47 -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 -2.22 3.13 -1.14 -1.55 0.52 -1.23 -2.46 118.94 113.99 1t13 s TRP 22 Ca 0.24 1.01 -0.07 0.00 0.02 0.00 0.00 56.10 57.30 1t13 s TRP 22 Cb 0.19 -3.58 0.01 0.00 -1.15 0.00 0.00 33.47 28.94 1t13 s TRP 22 CO 0.42 -2.01 0.94 0.72 0.02 0.00 0.00 176.95 177.04 1t13 n HIS 23 N 4.67 -2.32 -0.29 -1.98 8.25 -1.26 -4.35 115.22 117.94 1t13 n HIS 23 Ca 0.11 0.80 0.05 0.00 -0.26 0.00 0.00 57.72 58.43 1t13 n HIS 23 Cb 0.44 -4.31 0.15 0.00 1.12 0.00 0.00 29.99 27.39 1t13 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t13 h ALA 24 N 0.84 0.71 -1.00 -1.41 0.00 -1.77 0.20 119.26 116.84 1t13 h ALA 24 Ca -0.47 0.30 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1t13 h ALA 24 Cb 1.31 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 19.57 1t13 h ALA 24 CO 0.46 -0.43 0.62 0.38 0.00 0.00 0.00 179.25 180.29 1t13 h ASP 25 N 0.03 0.88 0.05 0.00 -0.00 -1.90 1.03 116.42 116.52 1t13 h ASP 25 Ca 0.43 0.06 -0.00 0.00 -0.00 0.00 0.00 57.03 57.53 1t13 h ASP 25 Cb 0.74 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.96 1t13 h ASP 25 CO -0.81 0.42 -0.03 0.40 -0.00 0.00 0.00 179.24 179.23 1t13 h ILE 26 N 0.92 1.27 -0.49 4.15 5.03 -1.06 -3.09 117.51 124.25 1t13 h ILE 26 Ca 0.52 -1.53 0.08 0.00 -0.12 0.00 0.00 64.86 63.81 1t13 h ILE 26 Cb 0.62 2.22 -0.07 0.00 -3.03 0.00 0.00 36.82 36.56 1t13 h ILE 26 CO -0.30 0.36 0.10 0.58 -0.68 0.00 0.00 178.15 178.21 1t13 h VAL 27 N -0.81 0.73 -0.99 1.67 2.07 -0.48 -0.80 116.25 117.64 1t13 h VAL 27 Ca -0.01 -0.08 0.22 0.00 0.82 0.00 0.00 66.70 67.65 1t13 h VAL 27 Cb 0.64 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1t13 h VAL 27 CO 0.01 0.04 0.63 0.44 0.02 0.00 0.00 177.57 178.71 1t13 h ASP 28 N 0.24 0.58 -0.82 0.57 3.45 0.10 0.55 116.42 121.10 1t13 h ASP 28 Ca 0.25 0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.80 1t13 h ASP 28 Cb 0.32 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 1t13 h ASP 28 CO -0.31 0.18 0.54 -0.08 -1.57 0.00 0.00 179.24 177.99 1t13 h GLU 29 N 0.55 1.07 -0.23 3.56 4.57 -1.05 0.22 114.58 123.27 1t13 h GLU 29 Ca 0.56 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.62 1t13 h GLU 29 Cb 1.19 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 1t13 h GLU 29 CO -0.31 0.71 -0.08 0.00 -1.18 0.00 0.00 179.01 178.14 1t13 h ALA 30 N 1.49 0.32 0.63 2.92 0.00 -0.88 -1.44 119.26 122.30 1t13 h ALA 30 Ca 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1t13 h ALA 30 Cb -0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1t13 h ALA 30 CO -0.07 0.14 -0.38 -0.09 0.00 0.00 0.00 179.25 178.85 1t13 h ARG 31 N 0.18 -0.91 -0.33 0.00 2.43 -0.83 0.41 114.38 115.33 1t13 h ARG 31 Ca 0.05 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1t13 h ARG 31 Cb 0.56 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.24 1t13 h ARG 31 CO 0.03 -0.61 -0.23 0.87 -1.51 0.00 0.00 179.97 178.52 1t13 h LYS 32 N -0.95 -0.19 -0.98 0.20 1.57 -0.63 0.14 116.57 115.73 1t13 h LYS 32 Ca -0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1t13 h LYS 32 Cb 0.76 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 1t13 h LYS 32 CO 0.09 -0.12 0.64 1.03 -0.57 0.00 0.00 179.45 180.51 1t13 h SER 33 N -0.19 1.07 0.69 0.86 0.87 -1.07 0.89 113.55 116.66 1t13 h SER 33 Ca 0.17 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1t13 h SER 33 Cb 0.45 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1t13 h SER 33 CO -0.44 0.73 -0.33 0.15 -0.53 0.00 0.00 176.83 176.40 1t13 h PHE 34 N 1.23 -0.86 -0.34 2.24 3.57 0.15 -0.89 116.94 122.05 1t13 h PHE 34 Ca 0.39 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.94 1t13 h PHE 34 Cb 0.02 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 1t13 h PHE 34 CO -0.00 -0.51 -0.12 0.28 -2.23 0.00 0.00 178.31 175.73 1t13 h VAL 35 N -1.03 0.59 -0.45 1.41 2.07 -0.52 -1.84 116.25 116.50 1t13 h VAL 35 Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1t13 h VAL 35 Cb 0.74 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1t13 h VAL 35 CO 0.16 0.00 0.27 0.00 0.02 0.00 0.00 177.57 178.02 1t13 h ALA 36 N 1.27 0.57 -0.25 1.67 0.00 -0.76 0.51 119.26 122.26 1t13 h ALA 36 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1t13 h ALA 36 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1t13 h ALA 36 CO -0.38 -0.04 0.16 0.93 0.00 0.00 0.00 179.25 179.93 1t13 h GLU 37 N 0.55 0.34 -0.70 0.00 4.39 -0.73 0.46 114.58 118.89 1t13 h GLU 37 Ca 0.18 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1t13 h GLU 37 Cb -0.00 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1t13 h GLU 37 CO -0.07 0.25 0.33 -0.07 -1.16 0.00 0.00 179.01 178.29 1t13 h LEU 38 N 0.33 0.90 -0.44 1.33 3.38 -1.13 0.66 115.31 120.34 1t13 h LEU 38 Ca 0.09 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1t13 h LEU 38 Cb -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1t13 h LEU 38 CO -0.02 0.76 0.21 0.00 0.09 0.00 0.00 178.44 179.48 1t13 h ALA 39 N 1.38 0.55 0.00 1.53 0.00 -0.13 0.62 119.26 123.20 1t13 h ALA 39 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1t13 h ALA 39 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1t13 h ALA 39 CO -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.02 1t13 h ALA 40 N 1.25 1.01 0.00 0.00 0.00 0.29 0.23 119.26 122.04 1t13 h ALA 40 Ca 0.19 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 1t13 h ALA 40 Cb 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1t13 h ALA 40 CO -0.15 0.06 -2.25 1.63 0.00 0.00 0.00 179.25 178.54 1t13 n LYS 41 N -3.16 0.92 0.00 0.00 4.76 0.11 -4.61 118.16 116.18 1t13 n LYS 41 Ca 0.01 0.04 0.04 0.00 -2.87 0.00 0.00 58.31 55.53 1t13 n LYS 41 Cb 0.34 -1.46 0.03 0.00 -1.84 0.00 0.00 35.03 32.10 1t13 n LYS 41 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1t13 n THR 42 N -2.83 0.00 -3.74 -0.18 -2.24 0.21 -5.00 114.28 100.50 1t13 n THR 42 Ca -0.33 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 60.70 1t13 n THR 42 Cb 1.03 1.16 0.03 0.00 -2.10 0.00 0.00 70.33 70.46 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 0.60 -0.51 2.65 3.38 0.00 0.82 -1.15 105.19 110.98 1t13 n GLY 43 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.67 1.96 0.00 -0.02 0.00 -1.25 -4.85 105.19 99.36 1t13 n GLY 44 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1t13 n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t13 n SER 45 N 0.00 0.00 -4.15 1.61 3.41 -0.30 -4.13 113.62 110.06 1t13 n SER 45 Ca 0.00 0.46 -0.33 0.00 -0.26 0.00 0.00 58.87 58.73 1t13 n SER 45 Cb 0.00 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.33 1t13 n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1t13 s VAL 46 N -2.95 2.49 -0.03 -3.33 1.01 -1.26 -2.69 120.40 113.65 1t13 s VAL 46 Ca 0.05 -1.15 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1t13 s VAL 46 Cb 0.06 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1t13 s VAL 46 CO 0.16 0.23 0.60 -1.61 0.00 0.00 0.00 175.10 174.48 1t13 s GLU 47 N 1.26 4.34 -0.33 2.72 2.02 -0.41 -4.90 118.70 123.40 1t13 s GLU 47 Ca -0.01 0.72 -0.02 0.00 0.02 0.00 0.00 54.97 55.68 1t13 s GLU 47 Cb -0.16 -3.37 0.06 0.00 0.10 0.00 0.00 34.13 30.76 1t13 s GLU 47 CO -0.07 0.29 0.05 0.08 0.02 0.00 0.00 175.26 175.63 1t13 s VAL 48 N 0.08 3.09 -0.23 2.63 1.01 -1.26 0.10 120.40 125.82 1t13 s VAL 48 Ca 0.32 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 1t13 s VAL 48 Cb -0.18 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1t13 s VAL 48 CO 0.16 -0.25 0.54 -1.61 0.00 0.00 0.00 175.10 173.95 1t13 s GLU 49 N 1.23 4.14 0.03 2.72 2.02 0.95 -4.91 118.70 124.86 1t13 s GLU 49 Ca -0.02 0.42 -0.18 0.00 0.02 0.00 0.00 54.97 55.21 1t13 s GLU 49 Cb -0.20 -3.61 -0.06 0.00 0.10 0.00 0.00 34.13 30.36 1t13 s GLU 49 CO -0.02 -0.27 0.52 0.42 0.02 0.00 0.00 175.26 175.94 1t13 s ILE 50 N 2.04 4.88 -0.08 -1.63 1.09 -1.26 -0.50 121.20 125.74 1t13 s ILE 50 Ca 0.24 1.10 0.01 0.00 -1.10 0.00 0.00 60.65 60.90 1t13 s ILE 50 Cb -0.16 -3.85 0.02 0.00 -1.06 0.00 0.00 42.46 37.42 1t13 s ILE 50 CO 0.09 0.52 -0.08 -0.36 -0.10 0.00 0.00 174.94 175.01 1t13 s PHE 51 N -0.80 1.28 0.38 3.97 0.40 0.28 -4.94 117.98 118.55 1t13 s PHE 51 Ca 0.28 -0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 1t13 s PHE 51 Cb -0.18 -1.04 -0.08 0.00 0.51 0.00 0.00 43.02 42.24 1t13 s PHE 51 CO 0.17 -0.35 0.77 -0.51 0.70 0.00 0.00 175.22 175.99 1t13 s ASP 52 N 1.20 6.63 -0.14 1.36 1.11 -1.26 -0.51 116.67 125.05 1t13 s ASP 52 Ca -0.05 1.22 -0.16 0.00 0.18 0.00 0.00 52.55 53.73 1t13 s ASP 52 Cb -0.14 -2.35 0.04 0.00 1.07 0.00 0.00 42.92 41.54 1t13 s ASP 52 CO -0.02 -0.33 0.44 -0.69 1.18 0.00 0.00 175.17 175.75 1t13 s VAL 53 N -2.23 0.01 0.00 -1.27 1.01 -0.81 -4.86 120.40 112.24 1t13 s VAL 53 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1t13 s VAL 53 Cb -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1t13 s VAL 53 CO 0.26 -0.03 0.83 -2.65 0.00 0.00 0.00 175.10 173.50 1t13 n PRO 54 N 2.57 0.00 -4.08 2.72 -0.02 -1.26 -0.69 135.00 134.24 1t13 n PRO 54 Ca -0.14 0.77 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 1t13 n PRO 54 Cb 0.57 -1.33 -0.07 0.00 -0.02 0.00 0.00 33.50 32.65 1t13 n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t13 n GLY 55 N -0.98 3.20 0.22 -1.23 0.00 -1.26 -0.79 105.19 104.35 1t13 n GLY 55 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.01 1t13 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t13 h ALA 56 N 1.75 0.68 -0.96 4.61 0.00 -1.93 -1.37 119.26 122.04 1t13 h ALA 56 Ca -0.25 0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.03 1t13 h ALA 56 Cb 1.08 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1t13 h ALA 56 CO 0.39 -0.25 0.70 -0.92 0.00 0.00 0.00 179.25 179.17 1t13 h TYR 57 N 0.32 0.00 0.00 0.00 3.20 -1.97 0.27 116.97 118.80 1t13 h TYR 57 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1t13 h TYR 57 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1t13 h TYR 57 CO -0.20 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.71 1t13 n GLU 58 N -4.22 0.29 -0.03 1.82 4.71 -0.52 -4.23 120.64 118.47 1t13 n GLU 58 Ca 0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.22 1t13 n GLU 58 Cb 1.04 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.88 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 1.39 -0.23 -3.67 2.04 -0.53 -3.18 117.51 113.33 1t13 h ILE 59 Ca 0.00 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1t13 h ILE 59 Cb 0.35 2.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 1t13 h ILE 59 CO 0.00 0.36 -0.45 -0.65 0.00 0.00 0.00 178.15 177.41 1t13 h PRO 60 N -0.31 -0.38 -0.41 2.37 0.11 -1.75 0.20 132.00 131.83 1t13 h PRO 60 Ca 0.01 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.21 1t13 h PRO 60 Cb 0.62 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.76 1t13 h PRO 60 CO 0.02 -0.26 0.09 1.25 -0.21 0.00 0.00 178.00 178.89 1t13 h LEU 61 N -0.40 0.02 -0.77 2.35 5.85 -1.85 0.19 115.31 120.71 1t13 h LEU 61 Ca 0.04 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1t13 h LEU 61 Cb 0.52 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1t13 h LEU 61 CO -0.43 0.05 0.45 -0.74 -0.34 0.00 0.00 178.44 177.42 1t13 h HIS 62 N 0.22 0.82 -0.55 1.25 2.76 -1.41 0.11 115.15 118.35 1t13 h HIS 62 Ca 0.20 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1t13 h HIS 62 Cb 0.23 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1t13 h HIS 62 CO -0.20 0.38 -0.00 0.00 -1.30 0.00 0.00 177.93 176.81 1t13 h ALA 63 N 1.39 0.75 -0.16 5.26 0.00 0.28 0.16 119.26 126.95 1t13 h ALA 63 Ca 0.35 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1t13 h ALA 63 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1t13 h ALA 63 CO -0.20 0.58 -0.07 -0.22 0.00 0.00 0.00 179.25 179.34 1t13 h LYS 64 N 0.86 -0.05 0.75 0.00 3.64 0.12 0.68 116.57 122.57 1t13 h LYS 64 Ca 0.16 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1t13 h LYS 64 Cb 0.55 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1t13 h LYS 64 CO 0.03 -0.04 -0.36 1.15 -2.27 0.00 0.00 179.45 177.96 1t13 h THR 65 N -0.05 0.00 -0.56 1.00 2.02 -0.70 -0.63 112.91 113.98 1t13 h THR 65 Ca 0.09 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.43 1t13 h THR 65 Cb 0.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1t13 h THR 65 CO -0.19 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.09 1t13 h LEU 66 N -1.01 0.00 0.14 2.58 3.38 -0.84 -2.21 115.31 117.35 1t13 h LEU 66 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1t13 h LEU 66 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1t13 h LEU 66 CO 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.63 1t13 h ALA 67 N 1.61 -0.19 0.00 1.53 0.00 0.80 -3.23 119.26 119.77 1t13 h ALA 67 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1t13 h ALA 67 Cb 1.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1t13 h ALA 67 CO -0.00 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.49 1t13 n ARG 68 N -4.91 0.07 0.11 0.00 1.74 -0.28 -1.21 116.66 112.18 1t13 n ARG 68 Ca -0.08 0.53 0.10 0.00 -0.77 0.00 0.00 57.85 57.63 1t13 n ARG 68 Cb 0.27 -1.72 0.45 0.00 -1.02 0.00 0.00 32.46 30.44 1t13 n ARG 68 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1t13 n THR 69 N -1.88 0.99 -0.01 0.55 -2.24 -1.09 -4.82 114.28 105.78 1t13 n THR 69 Ca -0.00 0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1t13 n THR 69 Cb 0.05 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1t13 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t13 n GLY 70 N -0.41 1.82 0.28 3.38 0.00 -0.35 -4.83 105.19 105.07 1t13 n GLY 70 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.21 1t13 n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t13 h ARG 71 N 1.23 0.00 -6.46 1.61 3.08 -1.81 -3.45 114.38 108.59 1t13 h ARG 71 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 1t13 h ARG 71 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 1t13 h ARG 71 CO 0.00 0.00 -0.80 0.71 -1.07 0.00 0.00 179.97 178.81 1t13 s TYR 72 N -3.73 2.60 0.01 3.04 1.51 -1.26 -4.39 117.35 115.12 1t13 s TYR 72 Ca 0.00 -0.23 0.14 0.00 -1.01 0.00 0.00 57.07 55.97 1t13 s TYR 72 Cb 0.10 -1.55 0.17 0.00 -0.11 0.00 0.00 41.96 40.57 1t13 s TYR 72 CO 0.51 0.18 1.49 0.00 -1.11 0.00 0.00 175.55 176.62 1t13 h ALA 73 N 5.05 0.70 -2.95 3.71 0.00 -0.90 -3.47 119.26 121.40 1t13 h ALA 73 Ca -0.46 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 1t13 h ALA 73 Cb 1.15 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 1t13 h ALA 73 CO 0.49 0.73 0.15 0.00 0.00 0.00 0.00 179.25 180.62 1t13 s ALA 74 N -3.10 -1.39 0.00 0.00 0.00 -1.24 -4.23 121.76 111.80 1t13 s ALA 74 Ca 0.02 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.27 1t13 s ALA 74 Cb 0.09 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1t13 s ALA 74 CO 0.75 -0.79 -0.13 0.42 0.00 0.00 0.00 175.76 176.01 1t13 s ILE 75 N -3.79 1.01 -0.07 0.00 1.01 0.24 -2.41 121.20 117.18 1t13 s ILE 75 Ca 0.03 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1t13 s ILE 75 Cb -0.01 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1t13 s ILE 75 CO -0.09 0.20 -0.21 -0.69 0.00 0.00 0.00 174.94 174.14 1t13 s VAL 76 N -0.45 2.39 -0.22 2.92 1.01 -0.09 0.63 120.40 126.60 1t13 s VAL 76 Ca 0.04 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1t13 s VAL 76 Cb -0.06 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1t13 s VAL 76 CO -0.00 0.56 0.01 -0.83 0.00 0.00 0.00 175.10 174.84 1t13 s GLY 77 N -0.12 1.70 -0.09 4.51 0.00 -0.04 0.10 107.32 113.38 1t13 s GLY 77 Ca -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1t13 s GLY 77 CO 0.04 0.36 -0.14 0.00 0.00 0.00 0.00 173.10 173.36 1t13 s ALA 78 N 1.28 1.55 -0.04 3.20 0.00 0.90 0.14 121.76 128.78 1t13 s ALA 78 Ca 0.04 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 1t13 s ALA 78 Cb -0.15 -0.74 0.11 0.00 0.00 0.00 0.00 23.12 22.35 1t13 s ALA 78 CO 0.01 0.01 0.91 0.00 0.00 0.00 0.00 175.76 176.69 1t13 s ALA 79 N 0.85 -1.85 -0.32 0.00 0.00 -0.12 -0.72 121.76 119.60 1t13 s ALA 79 Ca -0.10 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1t13 s ALA 79 Cb -0.15 0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.22 1t13 s ALA 79 CO 0.01 -0.60 0.01 0.12 0.00 0.00 0.00 175.76 175.29 1t13 s PHE 80 N -2.66 3.55 -0.33 0.00 5.99 -1.26 -1.57 117.98 121.72 1t13 s PHE 80 Ca 0.03 -2.66 -0.12 0.00 0.00 0.00 0.00 56.93 54.19 1t13 s PHE 80 Cb -0.01 -2.57 -0.02 0.00 0.00 0.00 0.00 43.02 40.43 1t13 s PHE 80 CO -0.06 -0.92 0.21 0.08 -0.00 0.00 0.00 175.22 174.52 1t13 s VAL 81 N 1.01 5.04 0.19 3.12 1.01 -0.51 -4.84 120.40 125.42 1t13 s VAL 81 Ca 0.03 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 61.81 1t13 s VAL 81 Cb -0.20 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1t13 s VAL 81 CO -0.06 0.04 -0.11 0.27 0.00 0.00 0.00 175.10 175.24 1t13 s ILE 82 N 1.69 1.42 -0.67 2.22 -4.36 -1.26 -4.02 121.20 116.22 1t13 s ILE 82 Ca 0.06 -2.12 -0.24 0.00 -0.26 0.00 0.00 60.65 58.08 1t13 s ILE 82 Cb -0.17 -2.01 0.05 0.00 1.25 0.00 0.00 42.46 41.59 1t13 s ILE 82 CO 0.09 -0.62 1.06 -0.62 0.24 0.00 0.00 174.94 175.08 1t13 s ASP 83 N -3.26 6.20 0.00 4.36 -1.08 -1.26 -4.59 116.67 117.04 1t13 s ASP 83 Ca 0.21 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.57 1t13 s ASP 83 Cb 0.02 -2.46 0.38 0.00 -1.46 0.00 0.00 42.92 39.39 1t13 s ASP 83 CO 0.04 -1.53 1.09 0.61 0.52 0.00 0.00 175.17 175.90 1t13 n GLY 84 N 5.31 -0.82 2.49 2.66 0.00 -1.26 -4.73 105.19 108.83 1t13 n GLY 84 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.40 1.93 0.53 -0.02 0.00 -1.26 -4.82 105.19 101.94 1t13 n GLY 85 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.90 -4.15 -0.61 5.41 -1.26 -5.07 119.36 112.58 1t13 n ILE 86 Ca 0.00 -0.16 -0.28 0.00 1.00 0.00 0.00 62.75 63.32 1t13 n ILE 86 Cb 0.00 -1.74 -0.04 0.00 -0.71 0.00 0.00 39.64 37.15 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 -2.30 1.91 -0.25 1.39 1.51 -1.26 -5.11 117.35 113.24 1t13 s TYR 87 Ca -0.21 -0.81 -0.16 0.00 -1.01 0.00 0.00 57.07 54.88 1t13 s TYR 87 Cb 0.08 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1t13 s TYR 87 CO 0.26 -0.15 0.41 1.03 -1.11 0.00 0.00 175.55 175.99 1t13 s ARG 88 N -4.10 4.07 0.20 -0.62 0.52 -1.26 -4.47 118.95 113.29 1t13 s ARG 88 Ca 0.28 0.15 0.14 0.00 -0.52 0.00 0.00 55.73 55.78 1t13 s ARG 88 Cb -0.00 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 1t13 s ARG 88 CO 0.17 -0.23 1.29 1.12 0.02 0.00 0.00 175.30 177.67 1t13 h HIS 89 N 7.93 0.00 -0.90 -0.53 2.07 -1.97 -3.37 115.15 118.38 1t13 h HIS 89 Ca -0.32 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.29 1t13 h HIS 89 Cb 1.16 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.07 1t13 h HIS 89 CO 0.74 0.63 0.55 0.38 -3.07 0.00 0.00 177.93 177.16 1t13 h ASP 90 N 0.00 0.84 -0.80 3.10 3.04 -1.92 -1.14 116.42 119.53 1t13 h ASP 90 Ca -0.04 0.03 0.12 0.00 -3.24 0.00 0.00 57.03 53.91 1t13 h ASP 90 Cb 1.51 -0.14 -0.08 0.00 -1.04 0.00 0.00 39.33 39.58 1t13 h ASP 90 CO 0.08 0.50 0.41 -0.26 -2.04 0.00 0.00 179.24 177.93 1t13 h PHE 91 N 0.95 0.73 0.19 4.15 -1.00 -2.00 0.22 116.94 120.17 1t13 h PHE 91 Ca 0.42 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.22 1t13 h PHE 91 Cb 0.30 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1t13 h PHE 91 CO -0.03 0.22 -0.09 0.28 -1.61 0.00 0.00 178.31 177.08 1t13 h VAL 92 N 0.64 0.86 -0.83 -0.55 2.07 -1.67 -2.06 116.25 114.70 1t13 h VAL 92 Ca 0.42 -0.99 0.12 0.00 0.82 0.00 0.00 66.70 67.07 1t13 h VAL 92 Cb 0.52 1.39 -0.13 0.00 -1.52 0.00 0.00 31.29 31.55 1t13 h VAL 92 CO -0.32 0.20 -0.43 0.00 0.02 0.00 0.00 177.57 177.04 1t13 h ALA 93 N -0.20 -0.13 0.10 1.67 0.00 -0.70 0.55 119.26 120.56 1t13 h ALA 93 Ca -0.03 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1t13 h ALA 93 Cb 0.52 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1t13 h ALA 93 CO 0.04 -0.75 -0.24 1.15 0.00 0.00 0.00 179.25 179.46 1t13 h THR 94 N -0.08 0.47 -1.01 0.00 2.02 -0.63 0.56 112.91 114.24 1t13 h THR 94 Ca 0.25 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.63 1t13 h THR 94 Cb 0.55 0.47 -0.11 0.00 -1.74 0.00 0.00 68.15 67.32 1t13 h THR 94 CO -0.86 0.00 0.61 0.00 0.37 0.00 0.00 175.52 175.64 1t13 h ALA 95 N 0.34 1.70 0.04 6.16 0.00 -0.05 0.18 119.26 127.63 1t13 h ALA 95 Ca 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1t13 h ALA 95 Cb 0.46 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1t13 h ALA 95 CO -0.14 -0.09 -0.28 0.28 0.00 0.00 0.00 179.25 179.02 1t13 h VAL 96 N 0.73 1.69 -0.28 0.00 2.07 0.70 0.29 116.25 121.44 1t13 h VAL 96 Ca 0.59 -2.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.69 1t13 h VAL 96 Cb 0.96 3.31 -0.02 0.00 -1.52 0.00 0.00 31.29 34.03 1t13 h VAL 96 CO -0.40 0.64 0.08 0.40 0.02 0.00 0.00 177.57 178.31 1t13 h ILE 97 N -0.81 1.13 0.04 4.57 5.03 0.48 0.03 117.51 127.98 1t13 h ILE 97 Ca -0.05 -0.44 -0.15 0.00 -0.12 0.00 0.00 64.86 64.10 1t13 h ILE 97 Cb 1.20 0.82 0.01 0.00 -3.03 0.00 0.00 36.82 35.83 1t13 h ILE 97 CO 0.04 0.16 -0.62 0.78 -0.68 0.00 0.00 178.15 177.83 1t13 h ASN 98 N 0.40 0.47 -0.59 1.72 -0.26 -0.75 -2.94 115.58 113.64 1t13 h ASN 98 Ca 0.10 -0.83 0.12 0.00 -0.56 0.00 0.00 56.30 55.13 1t13 h ASN 98 Cb 0.13 -0.15 -0.11 0.00 -1.06 0.00 0.00 38.32 37.14 1t13 h ASN 98 CO -0.01 1.25 -0.07 1.23 -1.06 0.00 0.00 177.43 178.77 1t13 h GLY 99 N -0.24 0.54 0.88 2.83 0.00 0.53 0.30 103.07 107.90 1t13 h GLY 99 Ca -0.09 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 1t13 h GLY 99 CO 0.12 -0.21 0.08 -0.33 0.00 0.00 0.00 176.54 176.20 1t13 h MET 100 N 0.06 0.33 -0.71 4.80 2.86 -1.11 -0.97 114.93 120.19 1t13 h MET 100 Ca 0.30 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 57.97 1t13 h MET 100 Cb 0.47 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.01 1t13 h MET 100 CO -0.56 0.41 0.34 1.98 1.06 0.00 0.00 176.91 180.15 1t13 h MET 101 N 0.19 0.56 -0.15 1.72 -1.53 -1.00 -1.08 114.93 113.63 1t13 h MET 101 Ca 0.07 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.29 1t13 h MET 101 Cb 0.21 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.12 1t13 h MET 101 CO -0.00 0.37 0.07 0.37 0.14 0.00 0.00 176.91 177.86 1t13 h GLN 102 N 0.58 0.22 0.10 0.39 4.15 -0.15 -1.60 115.11 118.80 1t13 h GLN 102 Ca 0.36 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.75 1t13 h GLN 102 Cb 0.40 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1t13 h GLN 102 CO -0.28 0.27 -0.15 0.28 -1.93 0.00 0.00 178.83 177.01 1t13 h VAL 103 N 0.12 0.65 -0.05 2.39 2.07 -0.57 -0.37 116.25 120.49 1t13 h VAL 103 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1t13 h VAL 103 Cb 0.12 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1t13 h VAL 103 CO -0.01 0.00 -0.10 0.06 0.02 0.00 0.00 177.57 177.54 1t13 h GLN 104 N -0.31 0.08 -0.01 1.57 3.07 -1.16 0.86 115.11 119.21 1t13 h GLN 104 Ca 0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 58.65 58.62 1t13 h GLN 104 Cb 0.32 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 1t13 h GLN 104 CO -0.08 0.18 -0.58 -0.07 0.09 0.00 0.00 178.83 178.38 1t13 h LEU 105 N 0.08 0.05 0.00 0.06 3.38 -0.69 0.26 115.31 118.45 1t13 h LEU 105 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1t13 h LEU 105 Cb 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1t13 h LEU 105 CO 0.01 0.62 0.00 -0.62 0.09 0.00 0.00 178.44 178.55 1t13 n GLU 106 N -3.85 0.00 0.00 1.13 1.02 -0.16 -4.03 120.64 114.75 1t13 n GLU 106 Ca -0.01 0.39 0.01 0.00 -0.02 0.00 0.00 57.16 57.52 1t13 n GLU 106 Cb 0.59 -0.91 0.05 0.00 -0.02 0.00 0.00 31.44 31.15 1t13 n GLU 106 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1t13 n THR 107 N -1.66 1.38 -2.13 2.62 -2.24 0.28 -4.81 114.28 107.72 1t13 n THR 107 Ca 0.00 0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 62.03 1t13 n THR 107 Cb 0.00 -1.31 -0.01 0.00 -2.10 0.00 0.00 70.33 66.91 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 -1.37 -2.06 -4.05 -0.78 1.02 0.92 -4.92 120.64 109.39 1t13 n GLU 108 Ca 0.01 0.50 -0.34 0.00 -0.02 0.00 0.00 57.16 57.30 1t13 n GLU 108 Cb 0.02 -4.96 -0.14 0.00 -0.02 0.00 0.00 31.44 26.33 1t13 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1t13 s VAL 109 N -2.30 3.11 0.17 2.62 1.01 -1.20 -5.03 120.40 118.79 1t13 s VAL 109 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 61.98 61.06 1t13 s VAL 109 Cb 0.00 -2.39 -0.15 0.00 0.00 0.00 0.00 36.38 33.84 1t13 s VAL 109 CO 0.00 0.46 1.32 -2.65 0.00 0.00 0.00 175.10 174.23 1t13 n PRO 110 N 4.60 1.51 -3.87 2.72 -0.02 -1.26 -4.36 135.00 134.32 1t13 n PRO 110 Ca -0.19 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 1t13 n PRO 110 Cb 0.51 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.15 1.47 0.34 -1.45 1.01 -1.25 0.81 120.40 121.48 1t13 s VAL 111 Ca 0.75 -1.64 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 1t13 s VAL 111 Cb -0.80 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 1t13 s VAL 111 CO 0.48 -0.51 0.98 -0.76 0.00 0.00 0.00 175.10 175.30 1t13 s LEU 112 N 1.34 4.31 -0.22 3.92 1.02 0.20 -4.89 118.68 124.37 1t13 s LEU 112 Ca 0.06 1.93 -0.07 0.00 0.02 0.00 0.00 54.13 56.07 1t13 s LEU 112 Cb -0.18 -4.02 -0.03 0.00 0.02 0.00 0.00 46.19 41.98 1t13 s LEU 112 CO -0.15 -0.18 0.06 -0.55 0.02 0.00 0.00 176.35 175.56 1t13 s SER 113 N -1.53 5.31 -0.26 2.29 0.15 -1.26 -0.86 113.70 117.53 1t13 s SER 113 Ca 0.51 -0.10 0.16 0.00 0.70 0.00 0.00 55.95 57.23 1t13 s SER 113 Cb -0.21 -1.93 0.48 0.00 -1.71 0.00 0.00 66.02 62.65 1t13 s SER 113 CO 0.26 0.05 1.15 0.52 1.20 0.00 0.00 173.24 176.42 1t13 n VAL 114 N 4.36 1.76 -3.42 4.45 0.31 0.37 -4.91 118.33 121.25 1t13 n VAL 114 Ca -0.16 -3.38 -0.43 0.00 -0.01 0.00 0.00 64.34 60.35 1t13 n VAL 114 Cb 0.52 0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.68 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 -3.97 5.42 0.16 2.52 1.01 -1.18 -0.94 120.40 123.43 1t13 s VAL 115 Ca 0.37 -3.23 -0.17 0.00 0.00 0.00 0.00 61.98 58.96 1t13 s VAL 115 Cb 0.36 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1t13 s VAL 115 CO -0.01 -1.10 0.61 -0.76 0.00 0.00 0.00 175.10 173.84 1t13 s LEU 116 N -0.82 4.38 -0.23 3.92 2.01 -0.61 -4.89 118.68 122.45 1t13 s LEU 116 Ca 0.26 1.23 -0.02 0.00 0.01 0.00 0.00 54.13 55.61 1t13 s LEU 116 Cb -0.10 -3.31 0.07 0.00 0.01 0.00 0.00 46.19 42.86 1t13 s LEU 116 CO -0.09 0.11 0.02 -0.89 1.01 0.00 0.00 176.35 176.52 1t13 s THR 117 N -1.42 0.85 0.54 5.49 2.01 -1.26 -1.42 115.64 120.43 1t13 s THR 117 Ca 0.38 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.31 1t13 s THR 117 Cb -0.16 -1.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 1t13 s THR 117 CO 0.20 -0.27 1.03 -2.16 -0.69 0.00 0.00 174.62 172.73 1t13 s PRO 118 N 1.69 3.62 0.20 4.92 0.04 -1.26 -4.96 135.00 139.25 1t13 s PRO 118 Ca -0.00 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 1t13 s PRO 118 Cb -0.18 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.42 1t13 s PRO 118 CO -0.11 -0.56 1.80 0.45 0.04 0.00 0.00 177.00 178.62 1t13 h HIS 119 N 0.95 1.02 -3.60 0.56 3.86 -2.00 -3.44 115.15 112.51 1t13 h HIS 119 Ca -0.48 -0.04 -0.23 0.00 -1.16 0.00 0.00 60.37 58.46 1t13 h HIS 119 Cb 1.21 -0.32 -0.29 0.00 1.06 0.00 0.00 27.41 29.08 1t13 h HIS 119 CO 0.59 0.74 -0.67 -1.01 0.86 0.00 0.00 177.93 178.44 1t13 s HIS 120 N -5.76 -0.04 -0.33 2.45 3.76 -1.26 -4.95 115.29 109.16 1t13 s HIS 120 Ca -0.13 0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.97 1t13 s HIS 120 Cb 0.14 -0.02 0.18 0.00 1.11 0.00 0.00 32.58 34.00 1t13 s HIS 120 CO 0.80 -0.04 0.55 0.12 -0.85 0.00 0.00 174.74 175.32 1t13 s PHE 121 N 0.22 -1.56 -0.41 1.40 2.19 -1.26 -5.05 117.98 113.51 1t13 s PHE 121 Ca -0.02 0.59 0.06 0.00 0.33 0.00 0.00 56.93 57.90 1t13 s PHE 121 Cb -0.02 0.17 0.70 0.00 -1.31 0.00 0.00 43.02 42.56 1t13 s PHE 121 CO -0.01 -1.08 1.89 0.72 1.83 0.00 0.00 175.22 178.56 1t13 n HIS 121 N 5.07 2.88 -3.62 10.12 8.25 -1.26 -4.76 115.22 131.90 1t13 n HIS 121 Ca 0.06 -1.62 -0.23 0.00 -0.26 0.00 0.00 57.72 55.67 1t13 n HIS 121 Cb 0.53 -0.86 0.04 0.00 1.12 0.00 0.00 29.99 30.82 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 -0.79 -3.55 -4.30 -0.41 -0.58 -1.26 -5.00 120.64 104.75 1t13 n GLU 121 Ca 0.53 0.62 -0.19 0.00 -0.42 0.00 0.00 57.16 57.71 1t13 n GLU 121 Cb 1.58 -5.02 -0.11 0.00 -0.57 0.00 0.00 31.44 27.32 1t13 n GLU 121 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1t13 s SER 121 N -3.98 2.38 0.12 1.62 1.04 -1.26 -4.97 113.70 108.65 1t13 s SER 121 Ca 0.19 -0.91 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 1t13 s SER 121 Cb -0.05 -0.11 -0.08 0.00 0.10 0.00 0.00 66.02 65.87 1t13 s SER 121 CO 0.81 -0.13 1.58 0.50 0.98 0.00 0.00 173.24 176.98 1t13 h LYS 122 N 3.06 -0.56 -0.31 4.02 1.63 -1.97 0.87 116.57 123.31 1t13 h LYS 122 Ca -0.40 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.51 1t13 h LYS 122 Cb 1.21 0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 32.88 1t13 h LYS 122 CO 0.55 -0.38 -0.35 0.93 -3.45 0.00 0.00 179.45 176.76 1t13 h GLU 123 N -0.58 -0.31 0.20 1.90 3.07 -1.98 0.57 114.58 117.45 1t13 h GLU 123 Ca 0.04 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1t13 h GLU 123 Cb 0.66 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1t13 h GLU 123 CO -0.31 -0.21 -0.17 0.45 -1.40 0.00 0.00 179.01 177.37 1t13 h HIS 124 N -0.32 -0.45 -1.03 4.33 3.86 -1.81 -0.23 115.15 119.51 1t13 h HIS 124 Ca 0.14 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.61 1t13 h HIS 124 Cb 0.56 0.17 -0.08 0.00 1.06 0.00 0.00 27.41 29.11 1t13 h HIS 124 CO -0.52 -0.23 0.67 1.25 0.86 0.00 0.00 177.93 179.97 1t13 h HIS 125 N -0.36 0.57 -0.02 2.45 -0.00 0.10 0.53 115.15 118.43 1t13 h HIS 125 Ca -0.03 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.13 1t13 h HIS 125 Cb 0.30 -0.17 0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1t13 h HIS 125 CO -0.06 0.07 -0.95 -0.44 -0.00 0.00 0.00 177.93 176.54 1t13 h ASP 126 N 0.36 0.69 -0.31 3.26 5.19 0.34 -1.75 116.42 124.20 1t13 h ASP 126 Ca 0.57 -0.54 0.01 0.00 -0.62 0.00 0.00 57.03 56.46 1t13 h ASP 126 Cb 1.52 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1t13 h ASP 126 CO -0.25 1.33 0.18 0.15 -3.12 0.00 0.00 179.24 177.53 1t13 h PHE 127 N 0.31 0.33 0.00 4.55 3.57 0.96 -1.88 116.94 124.78 1t13 h PHE 127 Ca -0.09 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.23 1t13 h PHE 127 Cb 1.59 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.19 1t13 h PHE 127 CO 0.07 0.19 -0.90 0.74 -2.23 0.00 0.00 178.31 176.19 1t13 h PHE 128 N 0.36 0.00 -0.46 0.41 -1.00 -1.47 0.22 116.94 115.00 1t13 h PHE 128 Ca 0.12 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.91 1t13 h PHE 128 Cb 0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1t13 h PHE 128 CO -0.08 0.90 0.30 1.25 -1.61 0.00 0.00 178.31 179.07 1t13 h HIS 129 N 0.00 0.55 0.16 -0.55 2.76 -1.10 -0.24 115.15 116.72 1t13 h HIS 129 Ca -0.01 0.01 -0.31 0.00 -2.20 0.00 0.00 60.37 57.86 1t13 h HIS 129 Cb 1.68 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 30.46 1t13 h HIS 129 CO 0.00 0.34 -1.55 0.00 -1.30 0.00 0.00 177.93 175.43 1t13 h ALA 130 N 1.72 0.14 -0.48 5.26 0.00 -1.19 -3.38 119.26 121.33 1t13 h ALA 130 Ca 0.17 -1.09 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 1t13 h ALA 130 Cb -0.03 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1t13 h ALA 130 CO -0.04 0.89 0.15 1.25 0.00 0.00 0.00 179.25 181.50 1t13 h HIS 131 N -0.10 0.77 -1.11 0.00 6.17 -0.12 -2.44 115.15 118.31 1t13 h HIS 131 Ca -0.31 -0.08 0.32 0.00 0.71 0.00 0.00 60.37 61.01 1t13 h HIS 131 Cb 1.93 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 31.59 1t13 h HIS 131 CO 0.12 0.68 0.80 0.74 0.71 0.00 0.00 177.93 180.98 1t13 h PHE 132 N 0.64 0.03 0.26 5.26 -1.00 -1.22 0.96 116.94 121.87 1t13 h PHE 132 Ca 0.16 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1t13 h PHE 132 Cb 0.27 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1t13 h PHE 132 CO 0.01 0.00 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.37 1t13 h LYS 133 N 0.01 -0.34 -0.17 1.51 3.64 -1.60 0.29 116.57 119.92 1t13 h LYS 133 Ca 0.53 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.99 1t13 h LYS 133 Cb 2.11 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.95 1t13 h LYS 133 CO -0.02 -0.18 -0.21 0.28 -2.27 0.00 0.00 179.45 177.05 1t13 h VAL 134 N -0.41 0.46 -0.80 2.00 2.07 0.84 -1.21 116.25 119.21 1t13 h VAL 134 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1t13 h VAL 134 Cb 0.31 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1t13 h VAL 134 CO 0.06 0.00 0.43 0.11 0.02 0.00 0.00 177.57 178.19 1t13 h LYS 135 N -0.25 0.67 -0.80 1.57 1.79 -0.90 -0.67 116.57 117.99 1t13 h LYS 135 Ca 0.11 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.60 1t13 h LYS 135 Cb 0.42 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 30.86 1t13 h LYS 135 CO -0.32 0.44 0.49 0.78 -1.08 0.00 0.00 179.45 179.77 1t13 h GLY 136 N 0.69 1.19 1.38 3.86 0.00 0.74 0.25 103.07 111.19 1t13 h GLY 136 Ca 0.40 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1t13 h GLY 136 CO -0.28 0.26 0.00 -2.08 0.00 0.00 0.00 176.54 174.44 1t13 h VAL 137 N 0.92 1.24 0.20 4.60 2.07 -0.38 0.21 116.25 125.11 1t13 h VAL 137 Ca 0.34 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1t13 h VAL 137 Cb 0.13 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1t13 h VAL 137 CO -0.16 0.34 -0.09 -0.33 0.02 0.00 0.00 177.57 177.35 1t13 h GLU 138 N 0.71 -0.25 -0.90 1.57 5.08 0.00 -1.97 114.58 118.81 1t13 h GLU 138 Ca 0.14 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.67 1t13 h GLU 138 Cb 0.43 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 1t13 h GLU 138 CO 0.02 -0.01 0.50 0.00 -1.00 0.00 0.00 179.01 178.52 1t13 h ALA 139 N 0.28 1.39 0.29 3.43 0.00 0.00 0.47 119.26 125.12 1t13 h ALA 139 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1t13 h ALA 139 Cb 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1t13 h ALA 139 CO 0.04 -0.04 -0.43 0.00 0.00 0.00 0.00 179.25 178.82 1t13 h ALA 140 N 1.57 -1.02 -0.39 0.00 0.00 -0.22 0.13 119.26 119.34 1t13 h ALA 140 Ca 0.49 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1t13 h ALA 140 Cb 0.69 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1t13 h ALA 140 CO -0.35 -1.08 0.15 0.45 0.00 0.00 0.00 179.25 178.42 1t13 h HIS 141 N -0.76 0.28 -0.19 0.00 -0.00 -0.61 -2.26 115.15 111.61 1t13 h HIS 141 Ca -0.03 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 1t13 h HIS 141 Cb 0.69 -0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.98 1t13 h HIS 141 CO -0.31 0.12 -0.17 0.00 -0.00 0.00 0.00 177.93 177.57 1t13 h ALA 142 N 1.23 -0.05 -0.31 2.45 0.00 -0.73 0.93 119.26 122.79 1t13 h ALA 142 Ca 0.17 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1t13 h ALA 142 Cb 0.13 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1t13 h ALA 142 CO -0.16 -0.61 -0.32 0.00 0.00 0.00 0.00 179.25 178.16 1t13 h ALA 143 N 0.90 -0.24 0.73 0.00 0.00 -0.27 0.20 119.26 120.58 1t13 h ALA 143 Ca 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1t13 h ALA 143 Cb 0.36 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1t13 h ALA 143 CO -0.30 -0.75 -0.50 -0.07 0.00 0.00 0.00 179.25 177.63 1t13 h LEU 144 N -0.30 -1.29 -0.73 0.00 3.38 -0.87 -0.63 115.31 114.87 1t13 h LEU 144 Ca 0.15 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.35 1t13 h LEU 144 Cb 0.54 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1t13 h LEU 144 CO -0.48 -0.74 -0.10 1.56 0.09 0.00 0.00 178.44 178.78 1t13 h GLN 145 N -1.17 0.04 0.44 1.13 4.20 -0.36 0.33 115.11 119.72 1t13 h GLN 145 Ca -0.10 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1t13 h GLN 145 Cb 0.96 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1t13 h GLN 145 CO 0.07 0.03 -0.21 0.97 -0.67 0.00 0.00 178.83 179.01 1t13 h ILE 146 N 0.04 0.49 -0.66 2.54 6.09 -0.42 -0.36 117.51 125.22 1t13 h ILE 146 Ca 0.37 -0.44 0.14 0.00 -1.37 0.00 0.00 64.86 63.56 1t13 h ILE 146 Cb 0.62 0.66 -0.10 0.00 0.47 0.00 0.00 36.82 38.47 1t13 h ILE 146 CO -0.70 0.07 0.11 0.58 -3.07 0.00 0.00 178.15 175.14 1t13 h VAL 147 N -0.88 0.54 0.26 2.19 2.07 -0.37 0.92 116.25 120.98 1t13 h VAL 147 Ca -0.06 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1t13 h VAL 147 Cb 0.57 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1t13 h VAL 147 CO 0.10 0.04 -0.21 -1.28 0.02 0.00 0.00 177.57 176.24 1t13 h SER 148 N 0.22 -0.54 -0.52 0.57 0.87 -0.27 -1.90 113.55 111.98 1t13 h SER 148 Ca 0.36 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.93 1t13 h SER 148 Cb 0.58 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 1t13 h SER 148 CO -0.49 -0.32 0.22 -0.33 -0.53 0.00 0.00 176.83 175.38 1t13 h GLU 149 N -0.48 0.82 -0.79 2.24 4.39 -0.21 -1.10 114.58 119.46 1t13 h GLU 149 Ca -0.01 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1t13 h GLU 149 Cb 0.42 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1t13 h GLU 149 CO -0.02 0.68 0.39 0.00 -1.16 0.00 0.00 179.01 178.90 1t13 h ARG 150 N 0.81 1.14 0.48 2.33 3.08 -0.65 0.20 114.38 121.77 1t13 h ARG 150 Ca 0.19 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1t13 h ARG 150 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1t13 h ARG 150 CO -0.02 0.88 -0.30 0.77 -1.07 0.00 0.00 179.97 180.23 1t13 h SER 151 N 1.12 -0.76 -0.55 7.04 0.02 -0.51 0.51 113.55 120.41 1t13 h SER 151 Ca 0.27 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.37 1t13 h SER 151 Cb 0.11 0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 1t13 h SER 151 CO -0.04 -0.47 0.10 -0.09 -1.14 0.00 0.00 176.83 175.19 1t13 h ARG 152 N -0.75 0.23 -0.48 3.45 2.43 -0.95 -1.46 114.38 116.84 1t13 h ARG 152 Ca -0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1t13 h ARG 152 Cb 0.62 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 1t13 h ARG 152 CO 0.05 0.15 0.22 0.82 -1.51 0.00 0.00 179.97 179.70 1t13 h ILE 153 N 0.23 0.93 -2.13 1.20 1.08 0.09 -3.45 117.51 115.47 1t13 h ILE 153 Ca 0.28 -0.15 -0.63 0.00 -0.39 0.00 0.00 64.86 63.98 1t13 h ILE 153 Cb 0.41 0.45 0.10 0.00 -3.07 0.00 0.00 36.82 34.71 1t13 h ILE 153 CO -0.38 0.08 0.11 0.00 -0.69 0.00 0.00 178.15 177.27 1t13 n ALA 154 N -2.34 -0.71 0.13 1.87 0.00 0.17 -5.08 120.51 114.54 1t13 n ALA 154 Ca 0.04 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.92 1t13 n ALA 154 Cb 0.14 -1.98 0.01 0.00 0.00 0.00 0.00 19.45 17.63 1t13 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50