#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t13 s PHE 13 N 0.00 1.14 -0.08 0.66 -0.12 -1.25 -4.96 117.98 113.36 1t13 s PHE 13 Ca 0.00 -1.33 -0.08 0.00 -0.05 0.00 0.00 56.93 55.46 1t13 s PHE 13 Cb 0.00 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 1t13 s PHE 13 CO 0.00 -0.75 0.21 0.15 -0.05 0.00 0.00 175.22 174.78 1t13 s LYS 14 N -3.98 3.55 -0.08 1.99 1.02 -1.26 -1.01 119.74 119.97 1t13 s LYS 14 Ca 0.37 -0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.36 1t13 s LYS 14 Cb 0.05 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1t13 s LYS 14 CO 0.14 0.75 -0.14 0.42 -0.92 0.00 0.00 175.35 175.60 1t13 s ILE 15 N -1.07 1.31 -0.34 2.17 1.01 0.16 -0.12 121.20 124.33 1t13 s ILE 15 Ca 0.18 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1t13 s ILE 15 Cb -0.13 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1t13 s ILE 15 CO 0.07 0.40 0.41 0.00 0.00 0.00 0.00 174.94 175.82 1t13 s ALA 16 N 0.70 3.49 -0.44 9.38 0.00 -0.96 0.57 121.76 134.50 1t13 s ALA 16 Ca -0.13 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 1t13 s ALA 16 Cb -0.16 -2.88 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1t13 s ALA 16 CO 0.03 -1.09 0.32 0.12 0.00 0.00 0.00 175.76 175.15 1t13 s PHE 17 N 2.14 3.29 -0.24 0.00 5.36 0.18 -0.78 117.98 127.93 1t13 s PHE 17 Ca 0.14 -1.21 -0.20 0.00 -0.96 0.00 0.00 56.93 54.71 1t13 s PHE 17 Cb -0.16 -3.04 -0.02 0.00 -0.34 0.00 0.00 43.02 39.46 1t13 s PHE 17 CO 0.12 -0.81 0.61 0.42 -1.46 0.00 0.00 175.22 174.09 1t13 s ILE 18 N 1.54 5.01 -0.15 3.12 1.01 0.18 0.35 121.20 132.25 1t13 s ILE 18 Ca 0.03 1.10 0.02 0.00 0.00 0.00 0.00 60.65 61.80 1t13 s ILE 18 Cb -0.23 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.33 1t13 s ILE 18 CO 0.05 0.06 -0.20 0.00 0.00 0.00 0.00 174.94 174.85 1t13 s GLN 19 N 2.29 3.05 0.69 2.79 -2.07 0.72 -0.07 119.66 127.06 1t13 s GLN 19 Ca 0.26 -0.83 -0.13 0.00 -1.82 0.00 0.00 55.36 52.84 1t13 s GLN 19 Cb -0.16 -2.51 0.01 0.00 -1.09 0.00 0.00 33.01 29.27 1t13 s GLN 19 CO 0.09 -0.06 1.09 0.00 -1.32 0.00 0.00 175.29 175.09 1t13 s ALA 20 N 0.94 2.47 -0.65 2.60 0.00 0.12 -1.75 121.76 125.48 1t13 s ALA 20 Ca -0.04 0.37 0.22 0.00 0.00 0.00 0.00 51.96 52.52 1t13 s ALA 20 Cb -0.15 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1t13 s ALA 20 CO -0.04 -1.36 0.86 0.54 0.00 0.00 0.00 175.76 175.76 1t13 n ARG 21 N -2.81 0.24 -1.91 0.00 5.12 0.70 -4.64 116.66 113.37 1t13 n ARG 21 Ca 0.09 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 1t13 n ARG 21 Cb 0.53 -1.53 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 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 -3.18 2.68 -1.28 -1.55 0.52 -1.19 -1.32 118.94 113.62 1t13 s TRP 22 Ca 0.03 0.42 -0.07 0.00 0.02 0.00 0.00 56.10 56.51 1t13 s TRP 22 Cb 0.15 -3.97 0.01 0.00 -1.15 0.00 0.00 33.47 28.51 1t13 s TRP 22 CO 0.85 -3.77 0.87 0.72 0.02 0.00 0.00 176.95 175.64 1t13 n HIS 23 N 4.87 -2.27 -0.18 -1.98 8.25 -1.26 -4.41 115.22 118.24 1t13 n HIS 23 Ca 0.15 0.74 -0.02 0.00 -0.26 0.00 0.00 57.72 58.34 1t13 n HIS 23 Cb 0.39 -4.43 0.05 0.00 1.12 0.00 0.00 29.99 27.12 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 0.90 0.39 -1.31 -1.41 0.00 -1.47 0.26 119.26 116.62 1t13 h ALA 24 Ca -0.50 0.21 0.45 0.00 0.00 0.00 0.00 54.91 55.07 1t13 h ALA 24 Cb 1.33 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 19.37 1t13 h ALA 24 CO 0.50 -0.43 0.83 0.38 0.00 0.00 0.00 179.25 180.53 1t13 h ASP 25 N 0.02 0.23 0.07 0.00 3.04 -1.90 1.22 116.42 119.10 1t13 h ASP 25 Ca 0.27 0.16 -0.35 0.00 -3.24 0.00 0.00 57.03 53.87 1t13 h ASP 25 Cb 0.41 0.16 -0.03 0.00 -1.04 0.00 0.00 39.33 38.83 1t13 h ASP 25 CO -0.55 -0.25 -1.95 -0.38 -2.04 0.00 0.00 179.24 174.07 1t13 n ILE 26 N -4.79 1.66 0.22 4.15 5.41 0.64 -3.77 119.36 122.88 1t13 n ILE 26 Ca 0.39 -0.48 -0.15 0.00 1.00 0.00 0.00 62.75 63.51 1t13 n ILE 26 Cb 1.48 -1.77 -0.07 0.00 -0.71 0.00 0.00 39.64 38.57 1t13 n ILE 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1t13 h VAL 27 N -0.27 0.48 -0.93 1.39 2.07 0.12 -2.21 116.25 116.91 1t13 h VAL 27 Ca -0.45 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.32 1t13 h VAL 27 Cb 1.81 0.48 -0.16 0.00 -1.52 0.00 0.00 31.29 31.91 1t13 h VAL 27 CO -0.05 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.11 1t13 h ASP 28 N -0.59 -0.25 -0.97 0.57 3.45 0.12 0.35 116.42 119.10 1t13 h ASP 28 Ca -0.03 0.24 0.15 0.00 0.43 0.00 0.00 57.03 57.82 1t13 h ASP 28 Cb 0.50 0.38 -0.09 0.00 -0.56 0.00 0.00 39.33 39.56 1t13 h ASP 28 CO 0.01 -0.28 0.58 -0.08 -1.57 0.00 0.00 179.24 177.91 1t13 h GLU 29 N 0.08 0.81 -0.10 3.56 4.57 -1.49 0.54 114.58 122.56 1t13 h GLU 29 Ca 0.58 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.54 1t13 h GLU 29 Cb 1.21 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1t13 h GLU 29 CO -0.79 0.54 -0.67 0.00 -1.18 0.00 0.00 179.01 176.90 1t13 h ALA 30 N 1.58 0.67 -0.25 2.92 0.00 -0.25 -2.87 119.26 121.05 1t13 h ALA 30 Ca 0.52 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 1t13 h ALA 30 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1t13 h ALA 30 CO -0.32 0.74 -0.55 -0.09 0.00 0.00 0.00 179.25 179.02 1t13 h ARG 31 N 0.28 0.82 -0.23 0.00 1.12 -0.34 -2.31 114.38 113.71 1t13 h ARG 31 Ca -0.02 -0.54 -0.00 0.00 -1.11 0.00 0.00 59.98 58.30 1t13 h ARG 31 Cb 1.23 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.25 1t13 h ARG 31 CO 0.11 1.17 0.13 0.87 -3.11 0.00 0.00 179.97 179.15 1t13 h LYS 32 N 0.57 0.32 0.00 0.20 1.57 -0.05 -0.95 116.57 118.23 1t13 h LYS 32 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1t13 h LYS 32 Cb 1.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1t13 h LYS 32 CO 0.12 0.27 -0.20 0.66 -0.57 0.00 0.00 179.45 179.73 1t13 h SER 33 N 0.27 0.00 0.61 0.86 4.64 -1.51 0.21 113.55 118.64 1t13 h SER 33 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1t13 h SER 33 Cb 0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1t13 h SER 33 CO -0.01 0.20 -0.29 0.15 -0.87 0.00 0.00 176.83 176.00 1t13 h PHE 34 N 0.00 -0.76 -0.55 4.77 3.57 -0.91 0.23 116.94 123.28 1t13 h PHE 34 Ca -0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1t13 h PHE 34 Cb 0.38 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.27 1t13 h PHE 34 CO 0.00 -0.47 -0.08 0.28 -2.23 0.00 0.00 178.31 175.81 1t13 h VAL 35 N -1.09 0.49 0.02 1.41 2.07 -0.92 -0.08 116.25 118.15 1t13 h VAL 35 Ca -0.08 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1t13 h VAL 35 Cb 0.63 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1t13 h VAL 35 CO 0.14 0.01 -0.20 0.00 0.02 0.00 0.00 177.57 177.54 1t13 h ALA 36 N 1.53 -0.26 0.09 1.67 0.00 -0.55 0.01 119.26 121.76 1t13 h ALA 36 Ca 0.28 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1t13 h ALA 36 Cb 0.43 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1t13 h ALA 36 CO -0.53 -0.70 -0.11 0.93 0.00 0.00 0.00 179.25 178.84 1t13 h GLU 37 N -0.33 -0.23 -0.58 0.00 4.39 0.13 0.12 114.58 118.09 1t13 h GLU 37 Ca 0.05 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1t13 h GLU 37 Cb 0.39 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1t13 h GLU 37 CO -0.17 -0.15 0.33 -0.07 -1.16 0.00 0.00 179.01 177.79 1t13 h LEU 38 N -0.24 0.52 -0.85 1.33 3.38 -0.95 1.09 115.31 119.59 1t13 h LEU 38 Ca 0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1t13 h LEU 38 Cb 0.24 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1t13 h LEU 38 CO -0.05 0.36 0.53 0.00 0.09 0.00 0.00 178.44 179.37 1t13 h ALA 39 N 1.27 1.18 0.30 1.53 0.00 -0.64 0.88 119.26 123.78 1t13 h ALA 39 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1t13 h ALA 39 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1t13 h ALA 39 CO -0.13 0.26 -0.14 0.00 0.00 0.00 0.00 179.25 179.24 1t13 h ALA 40 N 1.41 -0.40 -0.09 0.00 0.00 0.11 0.14 119.26 120.42 1t13 h ALA 40 Ca 0.38 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1t13 h ALA 40 Cb 0.18 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1t13 h ALA 40 CO -0.18 -0.49 -0.45 0.87 0.00 0.00 0.00 179.25 179.00 1t13 h LYS 41 N -0.87 0.22 -0.38 0.00 1.79 0.14 -3.15 116.57 114.31 1t13 h LYS 41 Ca -0.04 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1t13 h LYS 41 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1t13 h LYS 41 CO 0.07 0.63 0.00 0.25 -1.08 0.00 0.00 179.45 179.32 1t13 n THR 42 N -4.00 1.28 -3.30 -0.16 -2.24 0.30 -4.97 114.28 101.20 1t13 n THR 42 Ca -0.02 -1.16 -0.19 0.00 -2.27 0.00 0.00 64.05 60.41 1t13 n THR 42 Cb 0.50 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.47 -0.47 0.98 3.38 0.00 0.46 0.14 105.19 110.16 1t13 n GLY 43 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.84 1.50 0.24 -0.02 0.00 -1.09 -4.93 105.19 100.05 1t13 n GLY 44 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1t13 n GLY 44 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1t13 h SER 45 N 0.00 -0.63 -3.35 1.61 0.87 0.96 -3.38 113.55 109.62 1t13 h SER 45 Ca 0.00 0.12 -0.59 0.00 -1.23 0.00 0.00 61.79 60.09 1t13 h SER 45 Cb 0.00 0.30 -0.08 0.00 -0.44 0.00 0.00 62.40 62.18 1t13 h SER 45 CO 0.00 -0.24 0.29 -0.69 -0.53 0.00 0.00 176.83 175.66 1t13 s VAL 46 N -6.12 4.93 -0.07 2.23 1.01 -1.26 -3.94 120.40 117.19 1t13 s VAL 46 Ca -0.15 1.43 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 1t13 s VAL 46 Cb 0.11 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1t13 s VAL 46 CO 0.68 0.05 0.29 -1.61 0.00 0.00 0.00 175.10 174.51 1t13 s GLU 47 N 2.17 3.79 -0.21 2.72 2.02 -0.18 -4.75 118.70 124.25 1t13 s GLU 47 Ca 0.34 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.50 1t13 s GLU 47 Cb -0.16 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 30.86 1t13 s GLU 47 CO 0.11 0.66 -0.14 0.08 0.02 0.00 0.00 175.26 175.98 1t13 s VAL 48 N -0.83 2.36 -0.27 2.63 1.01 -1.26 0.38 120.40 124.42 1t13 s VAL 48 Ca 0.19 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1t13 s VAL 48 Cb -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1t13 s VAL 48 CO 0.08 0.34 0.24 -1.61 0.00 0.00 0.00 175.10 174.15 1t13 s GLU 49 N 1.27 3.99 -0.02 2.72 2.02 0.19 -4.92 118.70 123.95 1t13 s GLU 49 Ca 0.01 -0.20 -0.25 0.00 0.02 0.00 0.00 54.97 54.55 1t13 s GLU 49 Cb -0.15 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.40 1t13 s GLU 49 CO -0.09 -0.16 0.75 0.42 0.02 0.00 0.00 175.26 176.20 1t13 s ILE 50 N 1.72 4.93 -0.18 -1.63 1.09 -1.26 0.50 121.20 126.36 1t13 s ILE 50 Ca 0.10 1.57 0.01 0.00 -1.10 0.00 0.00 60.65 61.23 1t13 s ILE 50 Cb -0.16 -4.10 0.03 0.00 -1.06 0.00 0.00 42.46 37.18 1t13 s ILE 50 CO 0.10 0.28 -0.14 -0.36 -0.10 0.00 0.00 174.94 174.72 1t13 s PHE 51 N 0.55 2.43 0.41 3.97 0.40 0.15 -4.92 117.98 120.98 1t13 s PHE 51 Ca 0.40 -1.50 -0.23 0.00 -0.60 0.00 0.00 56.93 55.00 1t13 s PHE 51 Cb -0.19 -1.69 -0.09 0.00 0.51 0.00 0.00 43.02 41.56 1t13 s PHE 51 CO 0.21 -0.73 1.03 -0.51 0.70 0.00 0.00 175.22 175.91 1t13 s ASP 52 N 1.40 6.73 -0.18 1.36 1.11 -1.26 -0.20 116.67 125.63 1t13 s ASP 52 Ca 0.02 1.97 -0.15 0.00 0.18 0.00 0.00 52.55 54.57 1t13 s ASP 52 Cb -0.15 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.32 1t13 s ASP 52 CO -0.10 -0.51 0.46 -0.69 1.18 0.00 0.00 175.17 175.51 1t13 s VAL 53 N -1.77 -0.01 0.04 -1.27 1.01 -0.72 -4.86 120.40 112.83 1t13 s VAL 53 Ca 0.60 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1t13 s VAL 53 Cb -0.19 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1t13 s VAL 53 CO 0.24 0.01 1.19 -0.65 0.00 0.00 0.00 175.10 175.90 1t13 h PRO 54 N 5.85 -0.17 -4.61 2.72 0.11 -1.94 0.20 132.00 134.16 1t13 h PRO 54 Ca -0.29 0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.58 1t13 h PRO 54 Cb 1.18 0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.18 1t13 h PRO 54 CO 0.23 -0.11 -0.62 0.20 -0.21 0.00 0.00 178.00 177.48 1t13 s GLY 55 N -1.46 1.43 0.48 -0.55 0.00 -1.26 -1.89 107.32 104.07 1t13 s GLY 55 Ca -0.05 -1.70 0.29 0.00 0.00 0.00 0.00 44.72 43.26 1t13 s GLY 55 CO 0.22 -1.42 1.79 0.00 0.00 0.00 0.00 173.10 173.68 1t13 h ALA 56 N 2.62 2.76 -0.04 3.20 0.00 -1.92 0.39 119.26 126.27 1t13 h ALA 56 Ca -0.36 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1t13 h ALA 56 Cb 1.24 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1t13 h ALA 56 CO 0.55 -1.14 -0.13 -0.92 0.00 0.00 0.00 179.25 177.61 1t13 h TYR 57 N 0.15 0.06 0.00 0.00 3.20 -1.96 -2.05 116.97 116.38 1t13 h TYR 57 Ca 0.58 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 1t13 h TYR 57 Cb 1.97 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.23 1t13 h TYR 57 CO -0.00 0.19 0.00 0.39 -1.64 0.00 0.00 178.16 177.10 1t13 n GLU 58 N -4.35 0.22 0.12 1.82 4.71 0.14 -4.12 120.64 119.18 1t13 n GLU 58 Ca -0.02 0.03 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 1t13 n GLU 58 Cb 0.22 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.07 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 0.72 -0.52 -3.67 2.04 -1.41 -3.11 117.51 111.55 1t13 h ILE 59 Ca 0.00 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.13 1t13 h ILE 59 Cb 0.35 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.46 1t13 h ILE 59 CO 0.00 0.15 -0.46 -0.65 0.00 0.00 0.00 178.15 177.19 1t13 h PRO 60 N -0.81 -0.18 -0.41 2.37 0.11 -1.75 0.64 132.00 131.97 1t13 h PRO 60 Ca -0.04 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.16 1t13 h PRO 60 Cb 0.51 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.60 1t13 h PRO 60 CO 0.06 -0.12 0.05 1.25 -0.21 0.00 0.00 178.00 179.02 1t13 h LEU 61 N -0.19 -0.06 -0.28 2.35 5.85 -1.82 0.61 115.31 121.76 1t13 h LEU 61 Ca 0.09 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1t13 h LEU 61 Cb 0.42 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1t13 h LEU 61 CO -0.59 0.00 0.01 -0.74 -0.34 0.00 0.00 178.44 176.78 1t13 h HIS 62 N 0.17 0.00 -0.26 1.25 2.76 -1.22 0.71 115.15 118.55 1t13 h HIS 62 Ca 0.20 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 1t13 h HIS 62 Cb 0.26 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 1t13 h HIS 62 CO -0.23 -0.04 -0.27 0.00 -1.30 0.00 0.00 177.93 176.09 1t13 h ALA 63 N 1.24 -0.17 0.37 5.26 0.00 0.16 -0.37 119.26 125.76 1t13 h ALA 63 Ca 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1t13 h ALA 63 Cb 0.17 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1t13 h ALA 63 CO -0.22 -0.70 -0.48 -0.22 0.00 0.00 0.00 179.25 177.64 1t13 h LYS 64 N -0.27 -0.85 -0.60 0.00 3.64 -0.01 0.21 116.57 118.68 1t13 h LYS 64 Ca 0.14 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.69 1t13 h LYS 64 Cb 0.49 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.39 1t13 h LYS 64 CO -0.42 -0.57 -0.33 1.15 -2.27 0.00 0.00 179.45 177.02 1t13 h THR 65 N -0.88 0.17 -0.33 1.00 2.02 -0.46 0.17 112.91 114.60 1t13 h THR 65 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1t13 h THR 65 Cb 0.80 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1t13 h THR 65 CO -0.12 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.78 1t13 h LEU 66 N -0.15 0.49 -0.98 2.58 3.38 -0.85 -2.62 115.31 117.16 1t13 h LEU 66 Ca 0.24 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1t13 h LEU 66 Cb 0.55 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1t13 h LEU 66 CO -0.69 0.59 0.62 0.00 0.09 0.00 0.00 178.44 179.06 1t13 h ALA 67 N 0.92 1.40 0.00 1.53 0.00 0.48 -0.09 119.26 123.50 1t13 h ALA 67 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1t13 h ALA 67 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1t13 h ALA 67 CO 0.00 0.33 0.00 0.54 0.00 0.00 0.00 179.25 180.12 1t13 n ARG 68 N -4.57 0.06 0.09 0.00 1.74 0.49 -1.22 116.66 113.26 1t13 n ARG 68 Ca 0.16 0.32 0.12 0.00 -0.77 0.00 0.00 57.85 57.69 1t13 n ARG 68 Cb 0.25 -1.62 0.45 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.74 0.63 -0.60 0.55 -2.24 -0.05 -4.86 114.28 105.98 1t13 n THR 69 Ca 0.03 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1t13 n THR 69 Cb 0.18 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.82 0.77 0.21 3.38 0.00 -0.36 -4.83 105.19 105.18 1t13 n GLY 70 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 1.50 0.00 -6.29 1.61 3.08 -1.79 -3.45 114.38 109.03 1t13 h ARG 71 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1t13 h ARG 71 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.86 1t13 h ARG 71 CO 0.00 0.31 -0.72 0.71 -1.07 0.00 0.00 179.97 179.20 1t13 s TYR 72 N -3.93 2.85 0.16 3.04 1.51 -1.26 -4.36 117.35 115.36 1t13 s TYR 72 Ca -0.01 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 1t13 s TYR 72 Cb 0.12 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1t13 s TYR 72 CO 0.67 0.33 1.37 0.00 -1.11 0.00 0.00 175.55 176.81 1t13 h ALA 73 N 4.76 0.52 -2.89 3.71 0.00 -0.84 -3.47 119.26 121.04 1t13 h ALA 73 Ca -0.48 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 53.61 1t13 h ALA 73 Cb 1.17 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1t13 h ALA 73 CO 0.52 1.06 0.08 0.00 0.00 0.00 0.00 179.25 180.92 1t13 s ALA 74 N -3.01 -1.24 0.02 0.00 0.00 -1.25 -4.26 121.76 112.03 1t13 s ALA 74 Ca -0.00 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1t13 s ALA 74 Cb 0.11 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 24.02 1t13 s ALA 74 CO 0.81 -0.74 -0.13 0.42 0.00 0.00 0.00 175.76 176.12 1t13 s ILE 75 N -3.80 1.01 -0.11 0.00 1.01 0.23 -2.27 121.20 117.26 1t13 s ILE 75 Ca 0.03 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1t13 s ILE 75 Cb -0.00 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.58 1t13 s ILE 75 CO -0.10 0.07 -0.21 -0.69 0.00 0.00 0.00 174.94 174.01 1t13 s VAL 76 N -0.67 1.88 -0.25 2.92 1.01 0.04 0.94 120.40 126.27 1t13 s VAL 76 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1t13 s VAL 76 Cb -0.07 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1t13 s VAL 76 CO 0.01 0.52 0.14 -0.83 0.00 0.00 0.00 175.10 174.94 1t13 s GLY 77 N 0.66 1.91 -0.12 4.51 0.00 0.09 0.48 107.32 114.86 1t13 s GLY 77 Ca -0.12 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.62 1t13 s GLY 77 CO 0.03 0.49 -0.16 0.00 0.00 0.00 0.00 173.10 173.45 1t13 s ALA 78 N 1.37 1.77 -0.02 3.20 0.00 0.90 0.11 121.76 129.10 1t13 s ALA 78 Ca 0.07 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 1t13 s ALA 78 Cb -0.15 -0.88 0.09 0.00 0.00 0.00 0.00 23.12 22.18 1t13 s ALA 78 CO 0.06 -0.12 0.76 0.00 0.00 0.00 0.00 175.76 176.47 1t13 s ALA 79 N 1.04 -1.77 -0.41 0.00 0.00 -0.07 0.12 121.76 120.67 1t13 s ALA 79 Ca -0.05 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1t13 s ALA 79 Cb -0.15 0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.22 1t13 s ALA 79 CO -0.03 -0.51 0.19 0.12 0.00 0.00 0.00 175.76 175.53 1t13 s PHE 80 N -2.12 3.60 -0.44 0.00 5.99 -1.26 -1.36 117.98 122.38 1t13 s PHE 80 Ca -0.03 -2.61 -0.14 0.00 0.00 0.00 0.00 56.93 54.14 1t13 s PHE 80 Cb -0.01 -3.14 0.06 0.00 0.00 0.00 0.00 43.02 39.93 1t13 s PHE 80 CO -0.01 -0.95 0.33 0.08 -0.00 0.00 0.00 175.22 174.68 1t13 s VAL 81 N 0.93 5.03 0.30 3.12 1.01 -0.62 -4.84 120.40 125.33 1t13 s VAL 81 Ca 0.10 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.20 1t13 s VAL 81 Cb -0.22 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1t13 s VAL 81 CO -0.05 -0.47 -0.17 0.27 0.00 0.00 0.00 175.10 174.69 1t13 s ILE 82 N 1.61 2.37 -0.54 2.22 -4.36 -1.26 -4.08 121.20 117.16 1t13 s ILE 82 Ca 0.04 -2.34 -0.23 0.00 -0.26 0.00 0.00 60.65 57.86 1t13 s ILE 82 Cb -0.22 -2.39 0.04 0.00 1.25 0.00 0.00 42.46 41.14 1t13 s ILE 82 CO 0.07 -0.35 0.88 -0.62 0.24 0.00 0.00 174.94 175.16 1t13 s ASP 83 N -3.53 6.32 0.00 4.36 -1.08 -1.26 -4.67 116.67 116.81 1t13 s ASP 83 Ca 0.30 -0.45 0.11 0.00 -0.52 0.00 0.00 52.55 51.99 1t13 s ASP 83 Cb -0.03 -2.41 0.54 0.00 -1.46 0.00 0.00 42.92 39.57 1t13 s ASP 83 CO 0.15 -1.16 1.37 0.61 0.52 0.00 0.00 175.17 176.66 1t13 n GLY 84 N 5.13 -0.50 2.17 2.66 0.00 -1.26 -4.69 105.19 108.70 1t13 n GLY 84 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.80 1.92 0.46 -0.02 0.00 -1.26 -4.84 105.19 102.25 1t13 n GLY 85 Ca 0.09 0.00 -0.04 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 0.94 -3.59 -0.61 5.41 -1.26 -5.07 119.36 113.18 1t13 n ILE 86 Ca 0.00 0.27 -0.21 0.00 1.00 0.00 0.00 62.75 63.81 1t13 n ILE 86 Cb 0.00 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.11 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 -2.04 2.79 -0.22 1.39 1.51 -1.26 -5.09 117.35 114.44 1t13 s TYR 87 Ca -0.11 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.30 1t13 s TYR 87 Cb 0.02 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1t13 s TYR 87 CO 0.17 -0.05 0.75 1.03 -1.11 0.00 0.00 175.55 176.35 1t13 s ARG 88 N -4.11 4.20 0.07 -0.62 0.52 -1.26 -4.44 118.95 113.31 1t13 s ARG 88 Ca 0.46 0.82 0.04 0.00 -0.52 0.00 0.00 55.73 56.53 1t13 s ARG 88 Cb -0.05 -3.62 -0.24 0.00 0.52 0.00 0.00 34.95 31.57 1t13 s ARG 88 CO 0.28 -0.41 1.09 1.12 0.02 0.00 0.00 175.30 177.41 1t13 h HIS 89 N 7.61 0.17 -1.06 -0.53 2.07 -1.97 -3.37 115.15 118.07 1t13 h HIS 89 Ca -0.27 -0.12 0.28 0.00 -2.85 0.00 0.00 60.37 57.41 1t13 h HIS 89 Cb 1.12 -0.01 -0.11 0.00 2.57 0.00 0.00 27.41 30.98 1t13 h HIS 89 CO 0.74 1.12 0.67 0.38 -3.07 0.00 0.00 177.93 177.76 1t13 h ASP 90 N 0.03 0.47 -0.18 3.10 3.04 -1.92 -1.64 116.42 119.32 1t13 h ASP 90 Ca -0.11 0.10 0.02 0.00 -3.24 0.00 0.00 57.03 53.80 1t13 h ASP 90 Cb 1.88 0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 40.19 1t13 h ASP 90 CO 0.14 0.05 0.04 -0.26 -2.04 0.00 0.00 179.24 177.17 1t13 h PHE 91 N 0.40 0.06 0.12 4.15 -1.00 -2.00 0.81 116.94 119.48 1t13 h PHE 91 Ca 0.63 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.42 1t13 h PHE 91 Cb 1.57 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.13 1t13 h PHE 91 CO -0.00 0.02 -0.06 0.28 -1.61 0.00 0.00 178.31 176.94 1t13 h VAL 92 N 0.11 1.05 -0.80 -0.55 2.07 -1.62 -1.78 116.25 114.72 1t13 h VAL 92 Ca 0.08 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.97 1t13 h VAL 92 Cb 0.07 1.53 -0.14 0.00 -1.52 0.00 0.00 31.29 31.23 1t13 h VAL 92 CO -0.10 0.18 -0.31 0.00 0.02 0.00 0.00 177.57 177.36 1t13 h ALA 93 N 0.28 0.22 0.45 1.67 0.00 -1.14 0.21 119.26 120.96 1t13 h ALA 93 Ca -0.02 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1t13 h ALA 93 Cb 0.42 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1t13 h ALA 93 CO 0.03 -0.57 -0.34 1.15 0.00 0.00 0.00 179.25 179.52 1t13 h THR 94 N -0.06 0.30 -1.02 0.00 2.02 -0.79 0.30 112.91 113.65 1t13 h THR 94 Ca 0.33 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.79 1t13 h THR 94 Cb 0.59 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1t13 h THR 94 CO -0.84 0.00 0.72 0.00 0.37 0.00 0.00 175.52 175.77 1t13 h ALA 95 N -0.35 2.83 0.00 6.16 0.00 0.01 0.15 119.26 128.06 1t13 h ALA 95 Ca -0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1t13 h ALA 95 Cb 0.67 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1t13 h ALA 95 CO 0.00 -1.14 -0.60 0.28 0.00 0.00 0.00 179.25 177.80 1t13 h VAL 96 N 0.08 1.10 -0.42 0.00 2.07 0.03 0.80 116.25 119.90 1t13 h VAL 96 Ca 0.50 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 66.00 1t13 h VAL 96 Cb 1.85 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 33.90 1t13 h VAL 96 CO -0.06 0.37 0.28 0.40 0.02 0.00 0.00 177.57 178.59 1t13 h ILE 97 N -1.00 1.05 0.11 4.57 1.08 0.06 0.71 117.51 124.10 1t13 h ILE 97 Ca -0.15 -0.17 -0.26 0.00 -0.39 0.00 0.00 64.86 63.89 1t13 h ILE 97 Cb 1.01 0.52 0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1t13 h ILE 97 CO -0.09 0.09 -1.08 0.78 -0.69 0.00 0.00 178.15 177.16 1t13 h ASN 98 N 0.49 0.76 -0.61 1.72 -0.26 -0.83 -2.81 115.58 114.03 1t13 h ASN 98 Ca 0.17 -0.84 0.03 0.00 -0.56 0.00 0.00 56.30 55.10 1t13 h ASN 98 Cb 0.07 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.05 1t13 h ASN 98 CO -0.04 1.52 0.37 1.23 -1.06 0.00 0.00 177.43 179.45 1t13 h GLY 99 N 0.10 0.88 0.69 2.83 0.00 0.25 0.53 103.07 108.34 1t13 h GLY 99 Ca -0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1t13 h GLY 99 CO 0.21 0.22 -0.00 -0.33 0.00 0.00 0.00 176.54 176.64 1t13 h MET 100 N 0.72 0.04 -0.95 4.80 2.86 -1.00 -0.15 114.93 121.25 1t13 h MET 100 Ca 0.25 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 58.01 1t13 h MET 100 Cb 0.04 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 1t13 h MET 100 CO -0.11 0.35 0.60 1.98 1.06 0.00 0.00 176.91 180.79 1t13 h MET 101 N -0.28 0.82 -0.33 1.72 -1.53 -1.19 0.12 114.93 114.26 1t13 h MET 101 Ca 0.01 -0.05 -0.14 0.00 -3.44 0.00 0.00 59.70 56.08 1t13 h MET 101 Cb 0.33 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.19 1t13 h MET 101 CO 0.00 0.54 -0.36 0.37 0.14 0.00 0.00 176.91 177.60 1t13 h GLN 102 N 0.84 0.75 -0.30 0.39 4.15 0.45 -2.39 115.11 118.99 1t13 h GLN 102 Ca 0.48 -0.37 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 1t13 h GLN 102 Cb 0.61 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.30 1t13 h GLN 102 CO -0.24 0.99 -0.33 0.28 -1.93 0.00 0.00 178.83 177.60 1t13 h VAL 103 N 0.62 1.29 0.00 2.39 2.07 0.41 -1.36 116.25 121.67 1t13 h VAL 103 Ca 0.06 -1.50 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 1t13 h VAL 103 Cb 0.90 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1t13 h VAL 103 CO 0.08 0.49 -0.46 0.06 0.02 0.00 0.00 177.57 177.76 1t13 h GLN 104 N 0.52 0.00 0.00 1.57 3.07 -1.02 0.29 115.11 119.53 1t13 h GLN 104 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.67 1t13 h GLN 104 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.45 1t13 h GLN 104 CO 0.08 0.46 -0.53 -0.07 0.09 0.00 0.00 178.83 178.86 1t13 h LEU 105 N 0.00 0.00 0.00 0.06 3.38 -1.29 0.23 115.31 117.69 1t13 h LEU 105 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t13 h LEU 105 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1t13 h LEU 105 CO 0.06 0.53 -0.00 -0.33 0.09 0.00 0.00 178.44 178.79 1t13 h GLU 106 N 0.00 -0.01 0.00 1.13 5.08 -0.44 -3.36 114.58 116.98 1t13 h GLU 106 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t13 h GLU 106 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1t13 h GLU 106 CO 0.07 -0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.32 1t13 n THR 107 N -2.20 1.04 -2.81 1.13 -2.24 0.93 -4.87 114.28 105.27 1t13 n THR 107 Ca -0.00 0.31 -0.20 0.00 -2.27 0.00 0.00 64.05 61.89 1t13 n THR 107 Cb 0.00 -1.18 0.01 0.00 -2.10 0.00 0.00 70.33 67.06 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 -1.85 -3.22 -3.94 -0.78 1.02 0.81 -4.95 120.64 107.73 1t13 n GLU 108 Ca 0.02 0.77 -0.35 0.00 -0.02 0.00 0.00 57.16 57.59 1t13 n GLU 108 Cb 0.16 -5.50 -0.14 0.00 -0.02 0.00 0.00 31.44 25.95 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 -2.96 2.94 0.03 2.62 1.01 -1.21 -5.04 120.40 117.80 1t13 s VAL 109 Ca 0.18 -1.06 -0.37 0.00 0.00 0.00 0.00 61.98 60.73 1t13 s VAL 109 Cb -0.09 -2.53 -0.16 0.00 0.00 0.00 0.00 36.38 33.60 1t13 s VAL 109 CO 0.22 0.15 1.44 -0.81 0.00 0.00 0.00 175.10 176.10 1t13 n PRO 110 N 4.67 1.24 -4.00 2.72 -0.04 -1.26 -4.41 135.00 133.92 1t13 n PRO 110 Ca -0.16 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 1t13 n PRO 110 Cb 0.46 -2.11 -0.15 0.00 -0.04 0.00 0.00 33.50 31.67 1t13 n PRO 110 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1t13 s VAL 111 N 1.11 2.54 0.20 0.52 1.01 -1.26 -0.60 120.40 123.93 1t13 s VAL 111 Ca 0.87 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1t13 s VAL 111 Cb -0.95 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1t13 s VAL 111 CO 0.49 0.01 0.72 -0.76 0.00 0.00 0.00 175.10 175.57 1t13 s LEU 112 N 1.20 4.40 -0.23 3.92 1.43 0.27 -4.89 118.68 124.77 1t13 s LEU 112 Ca -0.06 1.44 -0.06 0.00 -1.03 0.00 0.00 54.13 54.42 1t13 s LEU 112 Cb -0.19 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1t13 s LEU 112 CO -0.04 0.08 0.03 -0.55 0.23 0.00 0.00 176.35 176.10 1t13 s SER 113 N -1.53 4.89 -0.29 2.29 0.15 -1.26 -0.74 113.70 117.21 1t13 s SER 113 Ca 0.41 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 56.93 1t13 s SER 113 Cb -0.18 -1.86 0.47 0.00 -1.71 0.00 0.00 66.02 62.74 1t13 s SER 113 CO 0.22 -0.01 1.15 0.52 1.20 0.00 0.00 173.24 176.31 1t13 n VAL 114 N 4.78 2.06 -3.49 4.45 0.31 0.30 -4.90 118.33 121.84 1t13 n VAL 114 Ca -0.17 -3.81 -0.40 0.00 -0.01 0.00 0.00 64.34 59.95 1t13 n VAL 114 Cb 0.51 -0.30 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 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 -4.36 5.16 0.26 2.52 1.01 -1.17 -0.89 120.40 122.94 1t13 s VAL 115 Ca 0.42 -3.64 -0.17 0.00 0.00 0.00 0.00 61.98 58.59 1t13 s VAL 115 Cb 0.38 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1t13 s VAL 115 CO -0.00 -1.13 0.71 -0.76 0.00 0.00 0.00 175.10 173.92 1t13 s LEU 116 N -1.29 4.21 -0.25 3.92 2.01 -0.47 -4.88 118.68 121.94 1t13 s LEU 116 Ca 0.29 1.32 -0.00 0.00 0.01 0.00 0.00 54.13 55.74 1t13 s LEU 116 Cb -0.09 -3.79 0.07 0.00 0.01 0.00 0.00 46.19 42.40 1t13 s LEU 116 CO -0.10 -0.07 0.02 -0.89 1.01 0.00 0.00 176.35 176.31 1t13 s THR 117 N -1.73 1.13 0.46 5.49 2.01 -1.26 -1.59 115.64 120.15 1t13 s THR 117 Ca 0.48 -1.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.11 1t13 s THR 117 Cb -0.13 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 1t13 s THR 117 CO 0.19 -0.31 1.09 -2.16 -0.69 0.00 0.00 174.62 172.75 1t13 s PRO 118 N 1.55 3.83 0.20 4.92 0.04 -1.26 -4.93 135.00 139.35 1t13 s PRO 118 Ca 0.00 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 1t13 s PRO 118 Cb -0.18 -2.29 0.18 0.00 0.04 0.00 0.00 34.50 32.25 1t13 s PRO 118 CO -0.11 -0.44 1.84 0.45 0.04 0.00 0.00 177.00 178.77 1t13 h HIS 119 N 1.91 0.75 -3.42 0.56 3.86 -2.00 -3.43 115.15 113.38 1t13 h HIS 119 Ca -0.49 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 58.53 1t13 h HIS 119 Cb 1.23 -0.24 -0.28 0.00 1.06 0.00 0.00 27.41 29.18 1t13 h HIS 119 CO 0.55 0.42 -0.59 -1.01 0.86 0.00 0.00 177.93 178.16 1t13 s HIS 120 N -6.12 -0.13 -0.29 2.45 3.76 -1.26 -4.93 115.29 108.77 1t13 s HIS 120 Ca -0.13 0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.14 1t13 s HIS 120 Cb 0.15 0.01 0.18 0.00 1.11 0.00 0.00 32.58 34.02 1t13 s HIS 120 CO 0.76 -0.08 0.50 0.12 -0.85 0.00 0.00 174.74 175.19 1t13 s PHE 121 N 0.31 -1.38 -0.34 1.40 2.19 -1.26 -5.06 117.98 113.84 1t13 s PHE 121 Ca -0.02 0.87 0.08 0.00 0.33 0.00 0.00 56.93 58.19 1t13 s PHE 121 Cb -0.03 0.14 0.64 0.00 -1.31 0.00 0.00 43.02 42.45 1t13 s PHE 121 CO -0.01 -0.97 1.72 0.72 1.83 0.00 0.00 175.22 178.50 1t13 n HIS 121 N 5.39 2.14 -3.91 10.12 8.25 -1.26 -4.76 115.22 131.19 1t13 n HIS 121 Ca 0.01 -1.50 -0.29 0.00 -0.26 0.00 0.00 57.72 55.69 1t13 n HIS 121 Cb 0.51 -0.69 0.02 0.00 1.12 0.00 0.00 29.99 30.95 1t13 n HIS 121 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1t13 n GLU 121 N -0.79 -4.90 -4.25 -0.41 0.00 -1.26 -4.97 120.64 104.06 1t13 n GLU 121 Ca 0.43 0.56 -0.24 0.00 0.00 0.00 0.00 57.16 57.91 1t13 n GLU 121 Cb 1.34 -5.29 -0.07 0.00 0.00 0.00 0.00 31.44 27.42 1t13 n GLU 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1t13 s SER 121 N -3.63 4.43 0.11 -1.84 1.04 -1.26 -4.97 113.70 107.58 1t13 s SER 121 Ca 0.47 -0.82 -0.21 0.00 0.48 0.00 0.00 55.95 55.87 1t13 s SER 121 Cb -0.24 -0.68 -0.08 0.00 0.10 0.00 0.00 66.02 65.12 1t13 s SER 121 CO 0.84 -0.18 1.72 0.50 0.98 0.00 0.00 173.24 177.11 1t13 h LYS 122 N 1.76 0.02 -0.60 4.02 3.64 -1.98 0.12 116.57 123.54 1t13 h LYS 122 Ca -0.43 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1t13 h LYS 122 Cb 1.25 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 1t13 h LYS 122 CO 0.64 0.01 0.04 0.93 -2.27 0.00 0.00 179.45 178.80 1t13 h GLU 123 N 0.02 0.15 0.30 1.90 3.07 -1.98 0.18 114.58 118.22 1t13 h GLU 123 Ca 0.05 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1t13 h GLU 123 Cb 0.07 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1t13 h GLU 123 CO -0.11 0.10 -0.14 0.45 -1.40 0.00 0.00 179.01 177.91 1t13 h HIS 124 N 0.15 -0.37 -0.97 4.33 3.86 -1.90 -0.34 115.15 119.92 1t13 h HIS 124 Ca 0.32 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.67 1t13 h HIS 124 Cb 0.51 0.12 -0.10 0.00 1.06 0.00 0.00 27.41 29.00 1t13 h HIS 124 CO -0.33 -0.02 0.58 1.25 0.86 0.00 0.00 177.93 180.27 1t13 h HIS 125 N -0.87 1.03 -0.28 2.45 6.17 -0.71 0.02 115.15 122.96 1t13 h HIS 125 Ca -0.04 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.00 1t13 h HIS 125 Cb 0.52 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 30.13 1t13 h HIS 125 CO 0.04 0.30 -0.11 -0.44 0.71 0.00 0.00 177.93 178.43 1t13 h ASP 126 N 0.82 0.59 0.03 3.26 5.19 -0.65 -0.76 116.42 124.90 1t13 h ASP 126 Ca 0.52 -0.39 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1t13 h ASP 126 Cb 0.69 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1t13 h ASP 126 CO -0.34 0.84 -0.11 0.15 -3.12 0.00 0.00 179.24 176.67 1t13 h PHE 127 N 0.32 -0.29 0.00 4.55 3.57 0.76 -2.07 116.94 123.78 1t13 h PHE 127 Ca 0.07 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1t13 h PHE 127 Cb 0.61 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1t13 h PHE 127 CO 0.06 -0.17 -0.64 0.74 -2.23 0.00 0.00 178.31 176.07 1t13 h PHE 128 N -0.21 0.00 -0.59 0.41 -1.00 -1.20 0.34 116.94 114.69 1t13 h PHE 128 Ca 0.03 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1t13 h PHE 128 Cb 0.25 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1t13 h PHE 128 CO -0.16 0.64 0.36 1.25 -1.61 0.00 0.00 178.31 178.78 1t13 h HIS 129 N 0.00 0.76 0.05 -0.55 2.76 -0.96 0.12 115.15 117.33 1t13 h HIS 129 Ca -0.01 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1t13 h HIS 129 Cb 1.18 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.89 1t13 h HIS 129 CO 0.00 0.51 -0.02 0.00 -1.30 0.00 0.00 177.93 177.12 1t13 h ALA 130 N 1.59 -0.06 0.00 5.26 0.00 -0.85 -3.34 119.26 121.85 1t13 h ALA 130 Ca 0.21 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1t13 h ALA 130 Cb -0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1t13 h ALA 130 CO -0.04 -0.12 -0.10 1.25 0.00 0.00 0.00 179.25 180.23 1t13 h HIS 131 N -0.89 0.00 0.00 0.00 6.17 -0.01 -2.04 115.15 118.39 1t13 h HIS 131 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.03 1t13 h HIS 131 Cb 0.66 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.59 1t13 h HIS 131 CO 0.16 0.10 -0.21 0.74 0.71 0.00 0.00 177.93 179.44 1t13 h PHE 132 N 0.00 0.00 -0.61 5.26 -1.00 -0.88 -0.51 116.94 119.19 1t13 h PHE 132 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1t13 h PHE 132 Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1t13 h PHE 132 CO 0.00 0.21 0.35 -0.22 -1.61 0.00 0.00 178.31 177.04 1t13 h LYS 133 N 0.00 0.85 -0.05 1.51 3.64 -1.49 0.17 116.57 121.20 1t13 h LYS 133 Ca -0.00 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1t13 h LYS 133 Cb 0.38 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1t13 h LYS 133 CO 0.03 0.63 0.02 0.28 -2.27 0.00 0.00 179.45 178.14 1t13 h VAL 134 N 0.83 1.10 -0.64 2.00 2.07 -1.26 -2.58 116.25 117.77 1t13 h VAL 134 Ca 0.22 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1t13 h VAL 134 Cb 0.02 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1t13 h VAL 134 CO -0.04 0.09 0.35 0.11 0.02 0.00 0.00 177.57 178.10 1t13 h LYS 135 N -0.04 0.63 -0.94 1.57 1.79 -0.78 -1.77 116.57 117.03 1t13 h LYS 135 Ca 0.02 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 1t13 h LYS 135 Cb 0.12 -0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.55 1t13 h LYS 135 CO -0.00 0.42 0.60 0.78 -1.08 0.00 0.00 179.45 180.17 1t13 h GLY 136 N 0.65 1.43 1.29 3.86 0.00 -0.45 0.15 103.07 109.99 1t13 h GLY 136 Ca 0.29 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 1t13 h GLY 136 CO -0.18 0.16 -0.37 -2.08 0.00 0.00 0.00 176.54 174.07 1t13 h VAL 137 N 0.89 1.28 -0.68 4.60 2.07 -0.96 -0.78 116.25 122.67 1t13 h VAL 137 Ca 0.46 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1t13 h VAL 137 Cb 0.51 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1t13 h VAL 137 CO -0.22 0.50 0.26 -0.33 0.02 0.00 0.00 177.57 177.80 1t13 h GLU 138 N 0.65 1.01 0.32 1.57 5.08 -0.27 -1.77 114.58 121.18 1t13 h GLU 138 Ca 0.06 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1t13 h GLU 138 Cb 0.92 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1t13 h GLU 138 CO 0.08 0.84 -0.15 0.00 -1.00 0.00 0.00 179.01 178.78 1t13 h ALA 139 N 1.29 -0.43 -0.52 3.43 0.00 -0.42 -0.28 119.26 122.33 1t13 h ALA 139 Ca 0.23 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1t13 h ALA 139 Cb 0.21 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1t13 h ALA 139 CO -0.02 -0.71 -0.49 0.00 0.00 0.00 0.00 179.25 178.03 1t13 h ALA 140 N 0.18 -0.64 0.36 0.00 0.00 -0.69 0.82 119.26 119.29 1t13 h ALA 140 Ca -0.04 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t13 h ALA 140 Cb 0.37 1.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1t13 h ALA 140 CO 0.07 -0.91 -0.39 0.45 0.00 0.00 0.00 179.25 178.46 1t13 h HIS 141 N -0.23 -1.07 -0.88 0.00 -0.00 -1.21 -0.58 115.15 111.17 1t13 h HIS 141 Ca 0.09 0.01 0.23 0.00 -0.00 0.00 0.00 60.37 60.69 1t13 h HIS 141 Cb 0.46 0.42 -0.13 0.00 -0.00 0.00 0.00 27.41 28.16 1t13 h HIS 141 CO -0.81 -0.54 0.30 0.00 -0.00 0.00 0.00 177.93 176.88 1t13 h ALA 142 N -0.38 1.33 0.15 2.45 0.00 -0.23 0.51 119.26 123.08 1t13 h ALA 142 Ca -0.03 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1t13 h ALA 142 Cb 0.71 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1t13 h ALA 142 CO -0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 179.25 178.66 1t13 h ALA 143 N 1.74 -0.95 -0.74 0.00 0.00 0.15 0.53 119.26 120.00 1t13 h ALA 143 Ca 0.55 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.53 1t13 h ALA 143 Cb 1.08 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1t13 h ALA 143 CO -0.59 -0.94 -0.38 -0.07 0.00 0.00 0.00 179.25 177.26 1t13 h LEU 144 N -0.23 -1.36 0.13 0.00 3.38 0.13 -0.72 115.31 116.64 1t13 h LEU 144 Ca -0.02 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1t13 h LEU 144 Cb 0.18 0.67 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1t13 h LEU 144 CO 0.02 -0.30 -0.43 1.56 0.09 0.00 0.00 178.44 179.37 1t13 h GLN 145 N -0.12 -0.61 -0.33 1.13 4.20 0.05 0.13 115.11 119.56 1t13 h GLN 145 Ca 0.26 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.07 1t13 h GLN 145 Cb 0.56 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1t13 h GLN 145 CO -0.80 -0.41 -0.00 0.97 -0.67 0.00 0.00 178.83 177.93 1t13 h ILE 146 N -0.63 0.76 -0.26 2.54 6.09 -0.19 0.37 117.51 126.17 1t13 h ILE 146 Ca -0.01 -0.03 0.05 0.00 -1.37 0.00 0.00 64.86 63.49 1t13 h ILE 146 Cb 0.63 0.65 -0.04 0.00 0.47 0.00 0.00 36.82 38.53 1t13 h ILE 146 CO -0.22 0.02 -0.00 0.58 -3.07 0.00 0.00 178.15 175.45 1t13 h VAL 147 N 0.09 0.80 0.19 2.19 2.07 -0.99 -0.10 116.25 120.51 1t13 h VAL 147 Ca 0.16 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.67 1t13 h VAL 147 Cb 0.22 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1t13 h VAL 147 CO -0.27 0.01 -0.43 -1.28 0.02 0.00 0.00 177.57 175.63 1t13 h SER 148 N 0.08 -1.24 -0.64 0.57 0.87 0.42 -2.57 113.55 111.04 1t13 h SER 148 Ca 0.13 0.13 0.13 0.00 -1.23 0.00 0.00 61.79 60.95 1t13 h SER 148 Cb 0.17 0.45 -0.11 0.00 -0.44 0.00 0.00 62.40 62.47 1t13 h SER 148 CO -0.22 -0.51 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.19 1t13 h GLU 149 N -0.71 0.07 -0.47 2.24 4.39 0.26 0.17 114.58 120.54 1t13 h GLU 149 Ca 0.01 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1t13 h GLU 149 Cb 0.70 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1t13 h GLU 149 CO -0.21 0.05 0.36 0.00 -1.16 0.00 0.00 179.01 178.05 1t13 h ARG 150 N 0.07 0.00 0.01 2.33 3.08 -0.63 0.70 114.38 119.95 1t13 h ARG 150 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1t13 h ARG 150 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1t13 h ARG 150 CO -0.59 0.00 -0.01 0.77 -1.07 0.00 0.00 179.97 179.08 1t13 h SER 151 N 0.00 -0.02 -1.05 7.04 0.02 -0.79 0.44 113.55 119.19 1t13 h SER 151 Ca 0.22 -0.70 0.28 0.00 -0.84 0.00 0.00 61.79 60.75 1t13 h SER 151 Cb 0.93 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 1t13 h SER 151 CO -0.00 0.81 0.70 -0.09 -1.14 0.00 0.00 176.83 177.11 1t13 h ARG 152 N -0.96 0.29 0.12 3.45 1.12 -0.57 0.40 114.38 118.22 1t13 h ARG 152 Ca -0.00 -0.02 -0.28 0.00 -1.11 0.00 0.00 59.98 58.57 1t13 h ARG 152 Cb 0.72 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1t13 h ARG 152 CO 0.00 0.19 -1.32 0.82 -3.11 0.00 0.00 179.97 176.56 1t13 h ILE 153 N 0.30 1.40 0.00 1.20 1.08 -0.91 -3.24 117.51 117.35 1t13 h ILE 153 Ca 0.58 -3.00 0.00 0.00 -0.39 0.00 0.00 64.86 62.04 1t13 h ILE 153 Cb 1.64 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 38.27 1t13 h ILE 153 CO -0.23 0.87 0.00 0.00 -0.69 0.00 0.00 178.15 178.10 1t13 n ALA 154 N -2.56 1.77 0.51 1.87 0.00 0.12 -5.08 120.51 117.14 1t13 n ALA 154 Ca -0.10 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1t13 n ALA 154 Cb 1.03 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 19.21 1t13 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50