#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t13 h THR 11 N 0.00 0.84 -3.42 3.15 2.02 -2.01 -3.43 112.91 110.06 1t13 h THR 11 Ca 0.00 -1.22 -0.59 0.00 0.77 0.00 0.00 66.41 65.37 1t13 h THR 11 Cb 0.00 1.74 -0.09 0.00 -1.74 0.00 0.00 68.15 68.06 1t13 h THR 11 CO 0.00 0.30 0.09 -0.55 0.37 0.00 0.00 175.52 175.72 1t13 s SER 12 N -6.43 6.68 0.07 4.18 0.15 -1.26 -4.36 113.70 112.73 1t13 s SER 12 Ca -0.01 0.83 -0.27 0.00 0.70 0.00 0.00 55.95 57.20 1t13 s SER 12 Cb 0.12 -2.34 0.09 0.00 -1.71 0.00 0.00 66.02 62.18 1t13 s SER 12 CO 0.66 -0.24 1.15 0.72 1.20 0.00 0.00 173.24 176.74 1t13 s PHE 13 N 1.76 -0.03 0.12 3.44 -0.12 -1.19 -5.02 117.98 116.94 1t13 s PHE 13 Ca 0.28 -0.18 0.07 0.00 -0.05 0.00 0.00 56.93 57.05 1t13 s PHE 13 Cb -0.16 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1t13 s PHE 13 CO 0.11 -0.54 -0.07 0.15 -0.05 0.00 0.00 175.22 174.81 1t13 s LYS 14 N -2.53 2.22 -0.09 1.99 1.02 -1.26 -1.57 119.74 119.52 1t13 s LYS 14 Ca 0.18 -1.04 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1t13 s LYS 14 Cb 0.01 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1t13 s LYS 14 CO 0.00 0.49 -0.10 0.42 -0.92 0.00 0.00 175.35 175.25 1t13 s ILE 15 N -1.37 1.05 -0.41 2.17 1.01 0.83 0.08 121.20 124.57 1t13 s ILE 15 Ca 0.23 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 1t13 s ILE 15 Cb -0.11 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1t13 s ILE 15 CO 0.15 0.35 0.57 0.00 0.00 0.00 0.00 174.94 176.02 1t13 s ALA 16 N 1.14 3.40 -0.62 9.38 0.00 -0.65 -0.78 121.76 133.64 1t13 s ALA 16 Ca -0.06 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 1t13 s ALA 16 Cb -0.14 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 19.93 1t13 s ALA 16 CO -0.02 -1.57 0.67 0.12 0.00 0.00 0.00 175.76 174.96 1t13 s PHE 17 N 2.58 3.16 -0.35 0.00 5.36 0.77 -0.40 117.98 129.10 1t13 s PHE 17 Ca 0.20 -1.19 -0.22 0.00 -0.96 0.00 0.00 56.93 54.75 1t13 s PHE 17 Cb -0.15 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 1t13 s PHE 17 CO 0.16 -1.19 0.73 0.42 -1.46 0.00 0.00 175.22 173.88 1t13 s ILE 18 N 2.09 4.80 -0.16 3.12 1.01 0.27 -1.45 121.20 130.89 1t13 s ILE 18 Ca 0.11 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1t13 s ILE 18 Cb -0.23 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1t13 s ILE 18 CO 0.03 -0.35 -0.16 0.00 0.00 0.00 0.00 174.94 174.46 1t13 s GLN 19 N 2.93 3.17 0.65 2.79 -2.07 -0.06 -0.45 119.66 126.61 1t13 s GLN 19 Ca 0.29 -0.77 -0.16 0.00 -1.82 0.00 0.00 55.36 52.90 1t13 s GLN 19 Cb -0.14 -2.61 -0.01 0.00 -1.09 0.00 0.00 33.01 29.17 1t13 s GLN 19 CO 0.15 -0.02 1.14 0.00 -1.32 0.00 0.00 175.29 175.24 1t13 s ALA 20 N 0.89 2.45 -2.96 2.60 0.00 0.58 -1.16 121.76 124.16 1t13 s ALA 20 Ca -0.04 0.70 0.24 0.00 0.00 0.00 0.00 51.96 52.85 1t13 s ALA 20 Cb -0.15 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 19.79 1t13 s ALA 20 CO -0.02 -1.29 1.25 0.54 0.00 0.00 0.00 175.76 176.25 1t13 n ARG 21 N -2.20 2.28 -2.41 0.00 5.12 0.13 -4.67 116.66 114.92 1t13 n ARG 21 Ca 0.11 -1.91 -0.41 0.00 -1.93 0.00 0.00 57.85 53.72 1t13 n ARG 21 Cb 0.51 -1.45 -0.04 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 -1.97 3.48 -1.43 -1.55 0.52 -1.16 -2.18 118.94 114.64 1t13 s TRP 22 Ca 0.28 1.55 -0.07 0.00 0.02 0.00 0.00 56.10 57.88 1t13 s TRP 22 Cb 0.20 -3.38 0.03 0.00 -1.15 0.00 0.00 33.47 29.18 1t13 s TRP 22 CO 0.30 -0.93 0.55 0.72 0.02 0.00 0.00 176.95 177.60 1t13 n HIS 23 N 1.87 -1.89 -0.37 -1.98 8.25 -1.26 -4.49 115.22 115.35 1t13 n HIS 23 Ca 0.02 0.49 0.29 0.00 -0.26 0.00 0.00 57.72 58.26 1t13 n HIS 23 Cb 0.45 -3.79 0.58 0.00 1.12 0.00 0.00 29.99 28.35 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 0.99 2.50 -0.28 -1.41 0.00 -1.71 0.26 119.26 119.61 1t13 h ALA 24 Ca -0.48 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1t13 h ALA 24 Cb 1.33 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1t13 h ALA 24 CO 0.55 -0.98 0.04 0.22 0.00 0.00 0.00 179.25 179.08 1t13 h ASP 25 N 0.25 -0.02 0.01 0.00 1.82 -1.87 0.27 116.42 116.89 1t13 h ASP 25 Ca 0.67 0.05 -0.24 0.00 -0.39 0.00 0.00 57.03 57.12 1t13 h ASP 25 Cb 1.96 0.07 0.02 0.00 0.68 0.00 0.00 39.33 42.06 1t13 h ASP 25 CO -0.31 0.02 -0.94 0.40 -1.61 0.00 0.00 179.24 176.81 1t13 h ILE 26 N 0.14 1.32 -0.40 2.25 2.04 -0.93 -3.26 117.51 118.68 1t13 h ILE 26 Ca 0.13 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.77 1t13 h ILE 26 Cb 0.15 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1t13 h ILE 26 CO -0.18 0.68 0.25 0.58 0.00 0.00 0.00 178.15 179.47 1t13 h VAL 27 N 0.23 1.11 -0.95 1.67 2.07 -0.87 -2.52 116.25 117.00 1t13 h VAL 27 Ca -0.12 -0.23 0.26 0.00 0.82 0.00 0.00 66.70 67.43 1t13 h VAL 27 Cb 1.61 0.55 -0.14 0.00 -1.52 0.00 0.00 31.29 31.80 1t13 h VAL 27 CO 0.18 0.11 0.46 0.44 0.02 0.00 0.00 177.57 178.79 1t13 h ASP 28 N 0.53 0.40 -0.98 0.57 3.45 -0.51 0.88 116.42 120.77 1t13 h ASP 28 Ca 0.14 0.17 0.05 0.00 0.43 0.00 0.00 57.03 57.83 1t13 h ASP 28 Cb -0.04 0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 38.81 1t13 h ASP 28 CO -0.03 -0.05 0.64 -0.33 -1.57 0.00 0.00 179.24 177.90 1t13 h GLU 29 N 0.38 1.14 -0.52 3.56 4.39 -1.49 0.22 114.58 122.27 1t13 h GLU 29 Ca 0.63 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 60.23 1t13 h GLU 29 Cb 1.29 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1t13 h GLU 29 CO -0.56 0.75 0.18 0.00 -1.16 0.00 0.00 179.01 178.22 1t13 h ALA 30 N 1.46 0.68 0.82 3.43 0.00 -0.88 -0.12 119.26 124.64 1t13 h ALA 30 Ca 0.41 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1t13 h ALA 30 Cb 0.11 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1t13 h ALA 30 CO -0.15 0.31 -0.39 -0.09 0.00 0.00 0.00 179.25 178.93 1t13 h ARG 31 N 0.70 -1.06 -0.63 0.00 2.43 -0.93 0.61 114.38 115.49 1t13 h ARG 31 Ca 0.17 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.54 1t13 h ARG 31 Cb 0.24 0.24 -0.12 0.00 -0.42 0.00 0.00 29.97 29.91 1t13 h ARG 31 CO -0.01 -0.70 -0.21 0.87 -1.51 0.00 0.00 179.97 178.41 1t13 h LYS 32 N -1.23 -0.05 0.26 0.20 1.57 -0.57 0.19 116.57 116.94 1t13 h LYS 32 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1t13 h LYS 32 Cb 0.86 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1t13 h LYS 32 CO 0.19 -0.03 -0.13 1.03 -0.57 0.00 0.00 179.45 179.94 1t13 h SER 33 N -0.05 -0.30 -0.24 0.86 0.87 -0.89 -0.68 113.55 113.13 1t13 h SER 33 Ca 0.29 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1t13 h SER 33 Cb 0.51 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 1t13 h SER 33 CO -0.68 -0.21 -0.37 0.15 -0.53 0.00 0.00 176.83 175.19 1t13 h PHE 34 N -0.35 -1.03 -0.24 2.24 3.57 0.20 0.29 116.94 121.62 1t13 h PHE 34 Ca -0.04 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1t13 h PHE 34 Cb 0.27 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 1t13 h PHE 34 CO -0.06 -0.42 0.11 0.28 -2.23 0.00 0.00 178.31 175.98 1t13 h VAL 35 N -0.38 0.98 -0.72 1.41 2.07 -0.61 -2.37 116.25 116.62 1t13 h VAL 35 Ca 0.12 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1t13 h VAL 35 Cb 0.57 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 1t13 h VAL 35 CO -0.44 0.04 0.39 0.00 0.02 0.00 0.00 177.57 177.58 1t13 h ALA 36 N 1.13 1.00 -0.35 1.67 0.00 -0.51 -0.74 119.26 121.46 1t13 h ALA 36 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1t13 h ALA 36 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1t13 h ALA 36 CO -0.08 0.02 0.21 0.93 0.00 0.00 0.00 179.25 180.33 1t13 h GLU 37 N 0.67 0.47 -0.14 0.00 4.39 -0.51 0.24 114.58 119.71 1t13 h GLU 37 Ca 0.34 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1t13 h GLU 37 Cb 0.31 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1t13 h GLU 37 CO -0.24 0.35 0.06 -0.07 -1.16 0.00 0.00 179.01 177.96 1t13 h LEU 38 N 0.46 0.18 -1.18 1.33 3.38 -0.99 0.30 115.31 118.80 1t13 h LEU 38 Ca 0.13 -0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1t13 h LEU 38 Cb 0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1t13 h LEU 38 CO -0.02 0.27 0.59 0.00 0.09 0.00 0.00 178.44 179.36 1t13 h ALA 39 N 0.92 1.67 0.00 1.53 0.00 -0.93 1.65 119.26 124.11 1t13 h ALA 39 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1t13 h ALA 39 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1t13 h ALA 39 CO -0.01 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1t13 h ALA 40 N 1.57 1.00 0.00 0.00 0.00 -0.29 -1.16 119.26 120.38 1t13 h ALA 40 Ca 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 1t13 h ALA 40 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1t13 h ALA 40 CO -0.21 0.00 -1.11 1.63 0.00 0.00 0.00 179.25 179.56 1t13 n LYS 41 N -3.05 0.39 0.16 0.00 4.76 0.30 -4.65 118.16 116.07 1t13 n LYS 41 Ca 0.02 0.16 0.03 0.00 -2.87 0.00 0.00 58.31 55.66 1t13 n LYS 41 Cb 0.41 -1.18 0.19 0.00 -1.84 0.00 0.00 35.03 32.61 1t13 n LYS 41 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1t13 h THR 42 N -0.71 0.95 -3.83 -0.18 1.35 0.21 -3.48 112.91 107.23 1t13 h THR 42 Ca -0.14 -1.92 -0.19 0.00 -0.55 0.00 0.00 66.41 63.61 1t13 h THR 42 Cb 0.92 2.18 0.09 0.00 -1.73 0.00 0.00 68.15 69.60 1t13 h THR 42 CO -0.09 0.46 -0.39 0.61 -0.25 0.00 0.00 175.52 175.86 1t13 n GLY 43 N 0.66 0.06 3.28 5.82 0.00 -0.44 -2.41 105.19 112.16 1t13 n GLY 43 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.14 2.97 0.39 -0.02 0.00 -1.25 -4.83 105.19 101.30 1t13 n GLY 44 Ca -0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 0.50 -3.56 1.61 0.87 -1.81 -3.36 113.55 107.80 1t13 h SER 45 Ca 0.00 0.04 -0.64 0.00 -1.23 0.00 0.00 61.79 59.96 1t13 h SER 45 Cb 0.00 -0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 61.69 1t13 h SER 45 CO 0.00 0.23 -0.62 -0.69 -0.53 0.00 0.00 176.83 175.21 1t13 s VAL 46 N -5.53 4.29 0.03 2.23 1.01 -1.26 -3.18 120.40 118.00 1t13 s VAL 46 Ca -0.09 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1t13 s VAL 46 Cb 0.22 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 1t13 s VAL 46 CO 0.78 0.37 0.56 -1.61 0.00 0.00 0.00 175.10 175.21 1t13 s GLU 47 N 1.33 4.23 -0.28 2.72 2.02 -0.61 -4.83 118.70 123.29 1t13 s GLU 47 Ca 0.05 0.70 0.03 0.00 0.02 0.00 0.00 54.97 55.77 1t13 s GLU 47 Cb -0.15 -3.28 0.07 0.00 0.10 0.00 0.00 34.13 30.87 1t13 s GLU 47 CO 0.03 0.52 -0.08 0.08 0.02 0.00 0.00 175.26 175.84 1t13 s VAL 48 N -0.69 2.20 -0.04 2.63 1.01 -1.26 -0.12 120.40 124.13 1t13 s VAL 48 Ca 0.29 -1.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.28 1t13 s VAL 48 Cb -0.19 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1t13 s VAL 48 CO 0.18 -0.15 0.59 -1.61 0.00 0.00 0.00 175.10 174.10 1t13 s GLU 49 N 1.06 4.34 -0.19 2.72 2.02 0.04 -4.91 118.70 123.78 1t13 s GLU 49 Ca -0.05 0.69 -0.09 0.00 0.02 0.00 0.00 54.97 55.55 1t13 s GLU 49 Cb -0.20 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 1t13 s GLU 49 CO -0.06 0.27 0.10 0.42 0.02 0.00 0.00 175.26 176.02 1t13 s ILE 50 N 0.16 5.12 -0.12 -1.63 -1.09 -1.26 -0.16 121.20 122.21 1t13 s ILE 50 Ca 0.31 0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 1t13 s ILE 50 Cb -0.17 -3.33 0.01 0.00 -1.58 0.00 0.00 42.46 37.39 1t13 s ILE 50 CO 0.16 0.45 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.77 1t13 s PHE 51 N 0.38 2.24 0.18 3.97 0.40 -0.53 -4.97 117.98 119.67 1t13 s PHE 51 Ca 0.06 -1.07 -0.21 0.00 -0.60 0.00 0.00 56.93 55.11 1t13 s PHE 51 Cb -0.12 -1.57 -0.08 0.00 0.51 0.00 0.00 43.02 41.76 1t13 s PHE 51 CO -0.01 -0.52 0.71 -0.51 0.70 0.00 0.00 175.22 175.59 1t13 s ASP 52 N 0.87 7.13 0.01 1.36 1.01 -1.26 -0.88 116.67 124.91 1t13 s ASP 52 Ca -0.08 1.44 0.01 0.00 0.71 0.00 0.00 52.55 54.63 1t13 s ASP 52 Cb -0.15 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1t13 s ASP 52 CO -0.01 0.12 -0.04 -0.69 0.21 0.00 0.00 175.17 174.76 1t13 s VAL 53 N -1.36 0.25 0.00 -1.27 1.01 -0.31 -4.90 120.40 113.81 1t13 s VAL 53 Ca 0.39 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1t13 s VAL 53 Cb -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1t13 s VAL 53 CO 0.22 -0.17 0.92 -2.65 0.00 0.00 0.00 175.10 173.42 1t13 n PRO 54 N 2.35 0.00 -4.35 2.72 -0.02 -1.26 0.20 135.00 134.64 1t13 n PRO 54 Ca -0.17 0.72 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 1t13 n PRO 54 Cb 0.57 -1.42 -0.10 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.84 1.90 0.32 -1.23 0.00 -1.26 -0.82 107.32 105.39 1t13 s GLY 55 Ca 0.00 -1.83 0.10 0.00 0.00 0.00 0.00 44.72 42.99 1t13 s GLY 55 CO 0.00 -1.63 1.74 0.00 0.00 0.00 0.00 173.10 173.21 1t13 h ALA 56 N 2.28 1.82 -0.62 3.20 0.00 -1.91 0.14 119.26 124.16 1t13 h ALA 56 Ca -0.37 0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.78 1t13 h ALA 56 Cb 1.25 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1t13 h ALA 56 CO 0.60 -0.27 0.43 -0.92 0.00 0.00 0.00 179.25 179.09 1t13 h TYR 57 N 0.59 0.28 -0.10 0.00 3.20 -1.96 0.78 116.97 119.76 1t13 h TYR 57 Ca 0.63 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1t13 h TYR 57 Cb 1.20 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1t13 h TYR 57 CO -0.01 0.12 0.00 0.39 -1.64 0.00 0.00 178.16 177.02 1t13 n GLU 58 N -4.44 1.33 -0.07 1.82 4.71 0.49 -4.12 120.64 120.36 1t13 n GLU 58 Ca 0.11 -0.41 -0.19 0.00 -0.01 0.00 0.00 57.16 56.66 1t13 n GLU 58 Cb 0.52 -1.21 -0.12 0.00 -1.01 0.00 0.00 31.44 29.61 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 0.63 1.22 -0.38 -3.67 2.04 -0.93 -3.34 117.51 113.08 1t13 h ILE 59 Ca 0.00 -2.27 0.04 0.00 1.00 0.00 0.00 64.86 63.63 1t13 h ILE 59 Cb 0.29 2.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.99 1t13 h ILE 59 CO 0.02 0.48 -0.45 -0.65 0.00 0.00 0.00 178.15 177.54 1t13 h PRO 60 N -0.87 -0.28 -0.73 2.37 0.11 -1.75 0.21 132.00 131.06 1t13 h PRO 60 Ca -0.23 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.94 1t13 h PRO 60 Cb 1.29 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.42 1t13 h PRO 60 CO -0.09 -0.19 0.45 1.25 -0.21 0.00 0.00 178.00 179.21 1t13 h LEU 61 N -0.29 0.73 -0.47 2.35 5.85 -1.84 0.13 115.31 121.78 1t13 h LEU 61 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1t13 h LEU 61 Cb 0.46 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1t13 h LEU 61 CO -0.51 0.50 0.30 -0.74 -0.34 0.00 0.00 178.44 177.65 1t13 h HIS 62 N 0.87 0.60 -0.77 1.25 2.76 -1.53 0.24 115.15 118.57 1t13 h HIS 62 Ca 0.30 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1t13 h HIS 62 Cb 0.06 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 1t13 h HIS 62 CO -0.04 0.40 0.40 0.00 -1.30 0.00 0.00 177.93 177.38 1t13 h ALA 63 N 1.15 1.26 0.20 5.26 0.00 0.14 0.66 119.26 127.93 1t13 h ALA 63 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1t13 h ALA 63 Cb -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1t13 h ALA 63 CO -0.03 0.59 -0.10 -0.22 0.00 0.00 0.00 179.25 179.49 1t13 h LYS 64 N 1.08 -0.26 -0.57 0.00 3.64 0.31 0.39 116.57 121.15 1t13 h LYS 64 Ca 0.27 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 1t13 h LYS 64 Cb 0.06 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1t13 h LYS 64 CO -0.04 0.01 0.26 1.15 -2.27 0.00 0.00 179.45 178.56 1t13 h THR 65 N -0.53 0.87 -0.26 1.00 2.02 -0.29 0.39 112.91 116.12 1t13 h THR 65 Ca -0.03 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 1t13 h THR 65 Cb 0.39 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1t13 h THR 65 CO 0.05 0.09 -0.31 -0.07 0.37 0.00 0.00 175.52 175.65 1t13 h LEU 66 N 0.48 0.56 -0.05 2.58 3.38 -0.79 -2.95 115.31 118.52 1t13 h LEU 66 Ca 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1t13 h LEU 66 Cb 0.25 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1t13 h LEU 66 CO -0.23 0.83 0.02 0.00 0.09 0.00 0.00 178.44 179.16 1t13 h ALA 67 N 1.20 0.06 0.00 1.53 0.00 0.78 -2.60 119.26 120.23 1t13 h ALA 67 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1t13 h ALA 67 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1t13 h ALA 67 CO 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1t13 h ARG 68 N -0.07 0.00 0.00 0.00 3.08 -0.80 0.09 114.38 116.68 1t13 h ARG 68 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1t13 h ARG 68 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1t13 h ARG 68 CO -0.00 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.69 1t13 h THR 69 N 0.00 0.00 0.00 2.04 1.35 -1.30 -3.46 112.91 111.54 1t13 h THR 69 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1t13 h THR 69 Cb 0.02 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1t13 h THR 69 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1t13 n GLY 70 N 0.09 0.45 0.05 5.82 0.00 0.02 -4.83 105.19 106.79 1t13 n GLY 70 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1t13 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t13 n ARG 71 N -1.77 0.11 -5.13 1.61 1.74 -1.26 -4.85 116.66 107.10 1t13 n ARG 71 Ca 0.00 0.12 -0.29 0.00 -0.77 0.00 0.00 57.85 56.92 1t13 n ARG 71 Cb 0.06 -1.63 -0.16 0.00 -1.02 0.00 0.00 32.46 29.71 1t13 n ARG 71 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1t13 s TYR 72 N -3.06 2.06 -0.43 -1.55 1.51 -1.26 -4.33 117.35 110.29 1t13 s TYR 72 Ca 0.12 -0.39 0.25 0.00 -1.01 0.00 0.00 57.07 56.04 1t13 s TYR 72 Cb 0.15 -1.32 0.59 0.00 -0.11 0.00 0.00 41.96 41.27 1t13 s TYR 72 CO 0.52 -0.03 1.70 0.00 -1.11 0.00 0.00 175.55 176.63 1t13 h ALA 73 N 5.55 1.00 -1.70 3.71 0.00 -0.68 -3.46 119.26 123.68 1t13 h ALA 73 Ca -0.41 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1t13 h ALA 73 Cb 1.13 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.70 1t13 h ALA 73 CO 0.47 0.00 0.43 0.00 0.00 0.00 0.00 179.25 180.16 1t13 s ALA 74 N -3.25 -1.88 0.15 0.00 0.00 -1.21 -4.19 121.76 111.37 1t13 s ALA 74 Ca 0.07 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1t13 s ALA 74 Cb 0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1t13 s ALA 74 CO 0.63 -0.33 -0.10 0.42 0.00 0.00 0.00 175.76 176.38 1t13 s ILE 75 N -1.09 3.25 -0.07 0.00 -1.09 0.20 -1.63 121.20 120.77 1t13 s ILE 75 Ca -0.04 -1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 56.88 1t13 s ILE 75 Cb -0.00 -2.57 0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1t13 s ILE 75 CO 0.04 -0.01 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.03 1t13 s VAL 76 N -1.48 0.51 -0.26 2.92 1.01 0.47 -0.46 120.40 123.11 1t13 s VAL 76 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 1t13 s VAL 76 Cb -0.10 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1t13 s VAL 76 CO 0.14 0.27 0.16 -0.83 0.00 0.00 0.00 175.10 174.84 1t13 s GLY 77 N 1.65 1.93 -0.11 4.51 0.00 -0.51 0.97 107.32 115.77 1t13 s GLY 77 Ca 0.01 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1t13 s GLY 77 CO -0.04 0.51 -0.19 0.00 0.00 0.00 0.00 173.10 173.39 1t13 s ALA 78 N 1.42 1.90 -0.09 3.20 0.00 0.41 0.91 121.76 129.50 1t13 s ALA 78 Ca 0.07 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1t13 s ALA 78 Cb -0.15 -0.84 0.12 0.00 0.00 0.00 0.00 23.12 22.25 1t13 s ALA 78 CO 0.07 0.04 0.98 0.00 0.00 0.00 0.00 175.76 176.86 1t13 s ALA 79 N 0.75 -1.91 -0.36 0.00 0.00 -0.70 -0.31 121.76 119.24 1t13 s ALA 79 Ca -0.11 1.33 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1t13 s ALA 79 Cb -0.16 -0.12 0.09 0.00 0.00 0.00 0.00 23.12 22.93 1t13 s ALA 79 CO 0.01 -0.52 0.11 0.12 0.00 0.00 0.00 175.76 175.48 1t13 s PHE 80 N -2.22 3.50 -0.71 0.00 5.99 -1.26 -0.43 117.98 122.84 1t13 s PHE 80 Ca 0.03 -2.31 -0.11 0.00 0.00 0.00 0.00 56.93 54.54 1t13 s PHE 80 Cb -0.01 -2.79 0.19 0.00 0.00 0.00 0.00 43.02 40.40 1t13 s PHE 80 CO -0.04 -0.91 0.62 0.08 -0.00 0.00 0.00 175.22 174.97 1t13 s VAL 81 N 1.15 5.00 0.12 3.12 1.01 -0.29 -4.85 120.40 125.66 1t13 s VAL 81 Ca 0.04 -2.40 0.06 0.00 0.00 0.00 0.00 61.98 59.69 1t13 s VAL 81 Cb -0.21 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1t13 s VAL 81 CO -0.04 -0.95 -0.03 0.27 0.00 0.00 0.00 175.10 174.35 1t13 s ILE 82 N 0.41 3.70 -0.24 2.22 -5.25 -1.26 -4.28 121.20 116.49 1t13 s ILE 82 Ca 0.15 -1.24 -0.29 0.00 -0.99 0.00 0.00 60.65 58.28 1t13 s ILE 82 Cb -0.16 -2.79 -0.01 0.00 2.95 0.00 0.00 42.46 42.45 1t13 s ILE 82 CO -0.05 0.04 1.29 -0.62 -1.79 0.00 0.00 174.94 173.80 1t13 s ASP 83 N -2.50 6.79 -0.02 4.36 -1.08 -1.26 -4.78 116.67 118.19 1t13 s ASP 83 Ca 0.25 1.44 0.18 0.00 -0.52 0.00 0.00 52.55 53.90 1t13 s ASP 83 Cb -0.11 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.35 1t13 s ASP 83 CO 0.17 -0.94 1.44 0.61 0.52 0.00 0.00 175.17 176.98 1t13 n GLY 84 N 3.99 1.86 2.21 2.66 0.00 -1.26 -4.67 105.19 109.99 1t13 n GLY 84 Ca 0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 1.37 0.58 1.32 -0.02 0.00 -1.26 -4.83 105.19 102.35 1t13 n GLY 85 Ca 0.20 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.79 0.85 -4.14 -0.61 5.41 -1.26 -5.10 119.36 111.72 1t13 n ILE 86 Ca -0.03 0.28 -0.23 0.00 1.00 0.00 0.00 62.75 63.77 1t13 n ILE 86 Cb 0.15 -1.25 -0.07 0.00 -0.71 0.00 0.00 39.64 37.76 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 -1.96 2.70 -0.08 1.39 1.51 -1.26 -5.08 117.35 114.56 1t13 s TYR 87 Ca 0.00 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1t13 s TYR 87 Cb 0.00 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1t13 s TYR 87 CO 0.00 0.38 0.97 1.03 -1.11 0.00 0.00 175.55 176.82 1t13 s ARG 88 N -3.82 4.45 0.08 -0.62 0.52 -1.26 -4.40 118.95 113.90 1t13 s ARG 88 Ca 0.37 1.33 0.17 0.00 -0.52 0.00 0.00 55.73 57.08 1t13 s ARG 88 Cb -0.03 -3.52 -0.12 0.00 0.52 0.00 0.00 34.95 31.81 1t13 s ARG 88 CO 0.22 -0.23 0.86 1.12 0.02 0.00 0.00 175.30 177.30 1t13 h HIS 89 N 7.02 0.00 -1.00 -0.53 2.07 -1.96 -3.39 115.15 117.36 1t13 h HIS 89 Ca -0.34 0.00 0.15 0.00 -2.85 0.00 0.00 60.37 57.33 1t13 h HIS 89 Cb 1.17 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.05 1t13 h HIS 89 CO 0.70 0.51 0.62 0.38 -3.07 0.00 0.00 177.93 177.08 1t13 h ASP 90 N 0.00 0.85 -0.37 3.10 -0.00 -1.93 -1.38 116.42 116.69 1t13 h ASP 90 Ca -0.14 0.07 0.07 0.00 -0.00 0.00 0.00 57.03 57.03 1t13 h ASP 90 Cb 1.52 -0.09 -0.07 0.00 -0.00 0.00 0.00 39.33 40.68 1t13 h ASP 90 CO 0.04 0.39 -0.10 -0.26 -0.00 0.00 0.00 179.24 179.31 1t13 h PHE 91 N 0.87 -0.21 0.10 4.15 -1.00 -2.00 0.27 116.94 119.12 1t13 h PHE 91 Ca 0.53 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.34 1t13 h PHE 91 Cb 0.69 0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.40 1t13 h PHE 91 CO -0.00 -0.16 -0.05 0.28 -1.61 0.00 0.00 178.31 176.76 1t13 h VAL 92 N -0.01 1.12 -0.79 -0.55 2.07 -1.74 -2.39 116.25 113.97 1t13 h VAL 92 Ca 0.18 -1.10 0.13 0.00 0.82 0.00 0.00 66.70 66.72 1t13 h VAL 92 Cb 0.28 1.79 -0.14 0.00 -1.52 0.00 0.00 31.29 31.70 1t13 h VAL 92 CO -0.38 0.26 -0.37 0.00 0.02 0.00 0.00 177.57 177.09 1t13 h ALA 93 N 0.11 0.03 0.02 1.67 0.00 -1.00 0.22 119.26 120.32 1t13 h ALA 93 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1t13 h ALA 93 Cb 0.53 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1t13 h ALA 93 CO 0.02 -0.66 -0.23 1.15 0.00 0.00 0.00 179.25 179.53 1t13 h THR 94 N -0.09 0.46 -0.95 0.00 2.02 -0.48 0.20 112.91 114.07 1t13 h THR 94 Ca 0.28 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.62 1t13 h THR 94 Cb 0.57 0.46 -0.10 0.00 -1.74 0.00 0.00 68.15 67.35 1t13 h THR 94 CO -0.83 0.00 0.56 0.00 0.37 0.00 0.00 175.52 175.62 1t13 h ALA 95 N 0.46 1.51 -0.01 6.16 0.00 -0.35 0.29 119.26 127.31 1t13 h ALA 95 Ca 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1t13 h ALA 95 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1t13 h ALA 95 CO -0.19 0.00 -0.01 0.28 0.00 0.00 0.00 179.25 179.33 1t13 h VAL 96 N 0.77 1.46 -0.24 0.00 2.07 0.04 0.86 116.25 121.22 1t13 h VAL 96 Ca 0.52 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1t13 h VAL 96 Cb 0.72 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1t13 h VAL 96 CO -0.35 0.36 0.01 0.40 0.02 0.00 0.00 177.57 178.01 1t13 h ILE 97 N -0.56 1.15 0.09 4.57 5.03 -0.13 -0.11 117.51 127.54 1t13 h ILE 97 Ca 0.00 -0.57 -0.26 0.00 -0.12 0.00 0.00 64.86 63.91 1t13 h ILE 97 Cb 0.60 0.96 0.02 0.00 -3.03 0.00 0.00 36.82 35.38 1t13 h ILE 97 CO 0.00 0.19 -1.06 0.78 -0.68 0.00 0.00 178.15 177.39 1t13 h ASN 98 N 0.35 0.78 -0.18 1.72 -0.26 -0.42 -3.00 115.58 114.56 1t13 h ASN 98 Ca 0.08 -0.82 0.04 0.00 -0.56 0.00 0.00 56.30 55.04 1t13 h ASN 98 Cb 0.23 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 1t13 h ASN 98 CO 0.00 1.51 -0.04 1.23 -1.06 0.00 0.00 177.43 179.08 1t13 h GLY 99 N 0.15 0.14 0.99 2.83 0.00 0.15 0.11 103.07 107.45 1t13 h GLY 99 Ca -0.16 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1t13 h GLY 99 CO 0.20 -0.07 0.34 -0.33 0.00 0.00 0.00 176.54 176.69 1t13 h MET 100 N 0.01 0.80 -0.92 4.80 2.86 -1.15 0.15 114.93 121.47 1t13 h MET 100 Ca 0.09 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1t13 h MET 100 Cb 0.13 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 1t13 h MET 100 CO -0.18 0.59 0.60 1.98 1.06 0.00 0.00 176.91 180.95 1t13 h MET 101 N 0.79 1.04 -0.03 1.72 -1.53 -1.23 -0.31 114.93 115.38 1t13 h MET 101 Ca 0.21 -0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.38 1t13 h MET 101 Cb 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 30.82 1t13 h MET 101 CO -0.04 0.69 -0.09 0.37 0.14 0.00 0.00 176.91 177.98 1t13 h GLN 102 N 1.07 0.11 -0.17 0.39 4.15 0.02 -1.55 115.11 119.13 1t13 h GLN 102 Ca 0.39 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.77 1t13 h GLN 102 Cb 0.17 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1t13 h GLN 102 CO -0.15 0.70 -0.08 0.28 -1.93 0.00 0.00 178.83 177.66 1t13 h VAL 103 N -0.45 0.75 -0.75 2.39 2.07 -0.40 0.11 116.25 119.97 1t13 h VAL 103 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1t13 h VAL 103 Cb 0.71 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1t13 h VAL 103 CO 0.02 0.00 0.42 0.06 0.02 0.00 0.00 177.57 178.09 1t13 h GLN 104 N -0.05 1.03 -0.62 1.57 3.07 -1.11 0.28 115.11 119.28 1t13 h GLN 104 Ca 0.09 -0.11 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 1t13 h GLN 104 Cb 0.19 -0.21 -0.03 0.00 0.08 0.00 0.00 27.48 27.52 1t13 h GLN 104 CO -0.21 0.75 0.17 -0.07 0.09 0.00 0.00 178.83 179.56 1t13 h LEU 105 N 1.05 0.92 0.13 0.06 3.38 -0.18 0.65 115.31 121.31 1t13 h LEU 105 Ca 0.27 -0.22 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 1t13 h LEU 105 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1t13 h LEU 105 CO -0.05 0.90 -1.36 1.05 0.09 0.00 0.00 178.44 179.07 1t13 h GLU 106 N 0.90 0.28 -0.05 1.13 4.11 -0.30 -3.30 114.58 117.35 1t13 h GLU 106 Ca 0.20 -0.49 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1t13 h GLU 106 Cb 0.32 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1t13 h GLU 106 CO -0.00 1.20 0.00 0.25 0.07 0.00 0.00 179.01 180.53 1t13 n THR 107 N -3.52 0.06 -1.30 -1.06 -2.24 0.92 -4.89 114.28 102.26 1t13 n THR 107 Ca -0.12 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 1t13 n THR 107 Cb 1.04 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.22 -1.33 -4.37 -0.78 -0.58 0.21 -4.91 120.64 108.66 1t13 n GLU 108 Ca 0.18 0.70 -0.34 0.00 -0.42 0.00 0.00 57.16 57.29 1t13 n GLU 108 Cb 0.24 -4.89 -0.12 0.00 -0.57 0.00 0.00 31.44 26.09 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 -1.94 3.81 0.28 2.62 1.01 -1.16 -5.05 120.40 119.97 1t13 s VAL 109 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1t13 s VAL 109 Cb 0.00 -2.68 -0.11 0.00 0.00 0.00 0.00 36.38 33.59 1t13 s VAL 109 CO 0.00 0.48 1.61 -2.84 0.00 0.00 0.00 175.10 174.35 1t13 s PRO 110 N 0.49 4.13 -0.23 2.72 0.02 -1.26 -4.30 135.00 136.56 1t13 s PRO 110 Ca -0.04 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.56 1t13 s PRO 110 Cb -0.14 -3.03 0.06 0.00 0.02 0.00 0.00 34.50 31.41 1t13 s PRO 110 CO 0.03 -0.65 -0.01 0.08 -0.33 0.00 0.00 177.00 176.12 1t13 s VAL 111 N 0.18 1.24 -0.06 3.83 1.01 -1.25 0.59 120.40 125.93 1t13 s VAL 111 Ca 0.65 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 1t13 s VAL 111 Cb -0.48 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1t13 s VAL 111 CO 0.45 -0.19 0.51 -0.76 0.00 0.00 0.00 175.10 175.11 1t13 s LEU 112 N 1.52 4.35 -0.18 3.92 1.02 0.39 -4.89 118.68 124.81 1t13 s LEU 112 Ca -0.03 0.95 -0.22 0.00 0.02 0.00 0.00 54.13 54.85 1t13 s LEU 112 Cb -0.18 -2.75 -0.02 0.00 0.02 0.00 0.00 46.19 43.25 1t13 s LEU 112 CO -0.08 0.08 0.69 -0.55 0.02 0.00 0.00 176.35 176.51 1t13 s SER 113 N 0.12 6.78 -0.09 2.29 0.15 -1.26 -1.42 113.70 120.27 1t13 s SER 113 Ca 0.27 0.95 0.17 0.00 0.70 0.00 0.00 55.95 58.05 1t13 s SER 113 Cb -0.16 -2.38 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 1t13 s SER 113 CO 0.13 -0.30 1.17 0.52 1.20 0.00 0.00 173.24 175.96 1t13 n VAL 114 N 4.66 0.95 -3.07 4.45 0.31 0.26 -4.91 118.33 120.97 1t13 n VAL 114 Ca 0.00 -1.82 -0.45 0.00 -0.01 0.00 0.00 64.34 62.07 1t13 n VAL 114 Cb 0.49 0.41 -0.02 0.00 -0.91 0.00 0.00 33.84 33.81 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 -1.40 5.10 0.02 2.52 1.01 -1.11 -1.72 120.40 124.83 1t13 s VAL 115 Ca 0.32 -2.09 -0.16 0.00 0.00 0.00 0.00 61.98 60.05 1t13 s VAL 115 Cb 0.34 -4.70 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 1t13 s VAL 115 CO -0.10 -1.37 0.47 -0.76 0.00 0.00 0.00 175.10 173.34 1t13 s LEU 116 N 1.57 4.49 -0.26 3.92 2.01 0.43 -4.89 118.68 125.95 1t13 s LEU 116 Ca 0.30 1.07 0.00 0.00 0.01 0.00 0.00 54.13 55.51 1t13 s LEU 116 Cb -0.06 -2.70 0.08 0.00 0.01 0.00 0.00 46.19 43.51 1t13 s LEU 116 CO -0.08 0.30 0.01 -0.89 1.01 0.00 0.00 176.35 176.70 1t13 s THR 117 N -1.05 1.33 0.72 5.49 2.01 -1.26 -1.14 115.64 121.74 1t13 s THR 117 Ca 0.26 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.80 1t13 s THR 117 Cb -0.18 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.58 1t13 s THR 117 CO 0.15 -0.33 1.11 -2.84 -0.69 0.00 0.00 174.62 172.02 1t13 s PRO 118 N 1.45 2.50 0.05 4.92 0.02 -1.26 -4.95 135.00 137.72 1t13 s PRO 118 Ca 0.01 1.32 -0.19 0.00 0.02 0.00 0.00 61.00 62.17 1t13 s PRO 118 Cb -0.18 -1.92 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 1t13 s PRO 118 CO -0.11 -1.48 1.34 0.45 -0.33 0.00 0.00 177.00 176.87 1t13 h HIS 119 N -0.51 0.58 -3.58 6.54 3.86 -2.00 -3.45 115.15 116.59 1t13 h HIS 119 Ca -0.45 -0.19 -0.40 0.00 -1.16 0.00 0.00 60.37 58.17 1t13 h HIS 119 Cb 1.24 -0.11 -0.33 0.00 1.06 0.00 0.00 27.41 29.27 1t13 h HIS 119 CO 0.55 0.87 -0.77 -1.01 0.86 0.00 0.00 177.93 178.43 1t13 s HIS 120 N -4.18 0.75 -0.33 2.45 3.76 -1.26 -4.92 115.29 111.56 1t13 s HIS 120 Ca -0.13 -0.20 0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1t13 s HIS 120 Cb 0.06 -0.62 0.18 0.00 1.11 0.00 0.00 32.58 33.31 1t13 s HIS 120 CO 0.78 -0.15 0.52 0.12 -0.85 0.00 0.00 174.74 175.17 1t13 s PHE 121 N 0.64 -1.40 -0.38 1.40 2.19 -1.26 -5.03 117.98 114.15 1t13 s PHE 121 Ca -0.09 0.44 0.07 0.00 0.33 0.00 0.00 56.93 57.68 1t13 s PHE 121 Cb -0.12 0.09 0.63 0.00 -1.31 0.00 0.00 43.02 42.31 1t13 s PHE 121 CO 0.00 -1.07 1.76 0.72 1.83 0.00 0.00 175.22 178.46 1t13 n HIS 121 N 5.03 2.34 -3.74 10.12 8.25 -1.26 -4.76 115.22 131.20 1t13 n HIS 121 Ca 0.06 -1.65 -0.25 0.00 -0.26 0.00 0.00 57.72 55.62 1t13 n HIS 121 Cb 0.52 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.88 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 -0.97 -1.34 -4.25 -0.41 0.28 -1.26 -4.97 120.64 107.72 1t13 n GLU 121 Ca 0.48 0.63 -0.18 0.00 -0.16 0.00 0.00 57.16 57.94 1t13 n GLU 121 Cb 1.43 -2.06 -0.11 0.00 1.43 0.00 0.00 31.44 32.13 1t13 n GLU 121 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1t13 s SER 121 N -2.97 2.02 0.13 -1.84 1.04 -1.26 -4.97 113.70 105.85 1t13 s SER 121 Ca 0.04 -0.85 -0.26 0.00 0.48 0.00 0.00 55.95 55.36 1t13 s SER 121 Cb -0.02 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 1t13 s SER 121 CO 0.84 -0.17 1.45 0.50 0.98 0.00 0.00 173.24 176.84 1t13 h LYS 122 N 3.37 -0.02 -0.38 4.02 1.63 -1.99 0.27 116.57 123.47 1t13 h LYS 122 Ca -0.39 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.49 1t13 h LYS 122 Cb 1.20 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.74 1t13 h LYS 122 CO 0.53 -0.01 -0.31 0.93 -3.45 0.00 0.00 179.45 177.14 1t13 h GLU 123 N -0.02 -0.23 0.09 1.90 3.07 -1.98 0.18 114.58 117.58 1t13 h GLU 123 Ca 0.13 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1t13 h GLU 123 Cb 0.35 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1t13 h GLU 123 CO -0.76 -0.16 -0.22 0.45 -1.40 0.00 0.00 179.01 176.92 1t13 h HIS 124 N -0.24 -0.59 0.38 4.33 3.86 -1.63 0.56 115.15 121.82 1t13 h HIS 124 Ca 0.17 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1t13 h HIS 124 Cb 0.52 0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 1t13 h HIS 124 CO -0.51 -0.32 -0.34 1.25 0.86 0.00 0.00 177.93 178.87 1t13 h HIS 125 N -0.40 -0.90 -0.39 2.45 6.17 -0.53 -1.43 115.15 120.12 1t13 h HIS 125 Ca 0.03 0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.19 1t13 h HIS 125 Cb 0.44 0.34 -0.07 0.00 2.52 0.00 0.00 27.41 30.64 1t13 h HIS 125 CO -0.22 -0.48 -0.09 -0.44 0.71 0.00 0.00 177.93 177.41 1t13 h ASP 126 N -0.73 -0.35 0.29 3.26 5.19 -0.47 0.60 116.42 124.21 1t13 h ASP 126 Ca -0.03 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1t13 h ASP 126 Cb 0.64 0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.36 1t13 h ASP 126 CO -0.03 -0.12 -0.45 0.15 -3.12 0.00 0.00 179.24 175.66 1t13 h PHE 127 N 0.01 -1.27 -0.15 4.55 3.57 0.43 -1.49 116.94 122.60 1t13 h PHE 127 Ca 0.19 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1t13 h PHE 127 Cb 0.29 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1t13 h PHE 127 CO -0.34 -0.58 -0.41 0.74 -2.23 0.00 0.00 178.31 175.49 1t13 h PHE 128 N -0.80 0.39 -0.99 0.41 -1.00 -0.98 0.21 116.94 114.18 1t13 h PHE 128 Ca -0.02 -0.11 0.11 0.00 2.81 0.00 0.00 57.97 60.77 1t13 h PHE 128 Cb 0.76 -0.09 -0.08 0.00 3.61 0.00 0.00 35.95 40.15 1t13 h PHE 128 CO -0.32 0.69 0.63 1.25 -1.61 0.00 0.00 178.31 178.95 1t13 h HIS 129 N 0.28 1.12 0.01 -0.55 2.76 0.53 0.26 115.15 119.56 1t13 h HIS 129 Ca 0.03 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1t13 h HIS 129 Cb 0.84 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1t13 h HIS 129 CO 0.02 0.47 -0.20 0.00 -1.30 0.00 0.00 177.93 176.92 1t13 h ALA 130 N 1.53 0.01 -0.66 5.26 0.00 -0.79 -3.35 119.26 121.26 1t13 h ALA 130 Ca 0.48 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1t13 h ALA 130 Cb 0.46 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1t13 h ALA 130 CO -0.24 0.05 0.37 1.25 0.00 0.00 0.00 179.25 180.68 1t13 h HIS 131 N -0.63 0.68 -0.71 0.00 6.17 0.35 -1.17 115.15 119.85 1t13 h HIS 131 Ca -0.03 0.02 0.21 0.00 0.71 0.00 0.00 60.37 61.28 1t13 h HIS 131 Cb 1.00 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.69 1t13 h HIS 131 CO 0.20 0.34 0.60 0.74 0.71 0.00 0.00 177.93 180.52 1t13 h PHE 132 N 0.69 0.00 -0.39 5.26 -1.00 -0.65 0.85 116.94 121.70 1t13 h PHE 132 Ca 0.29 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 1t13 h PHE 132 Cb 0.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1t13 h PHE 132 CO -0.07 0.00 0.20 -0.22 -1.61 0.00 0.00 178.31 176.61 1t13 h LYS 133 N 0.00 0.56 0.03 1.51 3.64 -1.35 0.17 116.57 121.12 1t13 h LYS 133 Ca 0.34 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1t13 h LYS 133 Cb 1.52 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1t13 h LYS 133 CO -0.00 0.47 -0.01 0.28 -2.27 0.00 0.00 179.45 177.91 1t13 h VAL 134 N 0.50 1.02 -0.99 2.00 2.07 0.65 -1.97 116.25 119.52 1t13 h VAL 134 Ca 0.14 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1t13 h VAL 134 Cb 0.08 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1t13 h VAL 134 CO -0.02 0.04 0.64 0.11 0.02 0.00 0.00 177.57 178.36 1t13 h LYS 135 N -0.10 1.06 -0.54 1.57 1.79 -0.95 -0.43 116.57 118.97 1t13 h LYS 135 Ca -0.00 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1t13 h LYS 135 Cb 0.09 -0.24 -0.05 0.00 -1.58 0.00 0.00 32.23 30.46 1t13 h LYS 135 CO 0.01 0.70 0.28 0.78 -1.08 0.00 0.00 179.45 180.14 1t13 h GLY 136 N 1.10 0.76 0.96 3.86 0.00 -0.25 0.38 103.07 109.88 1t13 h GLY 136 Ca 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1t13 h GLY 136 CO -0.20 0.13 -0.07 -2.08 0.00 0.00 0.00 176.54 174.32 1t13 h VAL 137 N 0.55 0.88 -0.74 4.60 2.07 -0.44 -0.58 116.25 122.60 1t13 h VAL 137 Ca 0.24 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 67.79 1t13 h VAL 137 Cb 0.13 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 1t13 h VAL 137 CO -0.16 0.02 0.31 -0.33 0.02 0.00 0.00 177.57 177.44 1t13 h GLU 138 N -0.23 0.47 -0.04 1.57 5.08 -0.31 -1.02 114.58 120.10 1t13 h GLU 138 Ca -0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1t13 h GLU 138 Cb 0.18 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1t13 h GLU 138 CO 0.03 0.31 -0.12 0.00 -1.00 0.00 0.00 179.01 178.23 1t13 h ALA 139 N 1.51 -0.11 -0.45 3.43 0.00 0.36 0.14 119.26 124.14 1t13 h ALA 139 Ca 0.39 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.41 1t13 h ALA 139 Cb 0.55 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1t13 h ALA 139 CO -0.36 -0.60 -0.03 0.00 0.00 0.00 0.00 179.25 178.26 1t13 h ALA 140 N 0.81 0.39 -0.56 0.00 0.00 0.08 0.30 119.26 120.28 1t13 h ALA 140 Ca 0.06 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1t13 h ALA 140 Cb 0.27 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1t13 h ALA 140 CO -0.15 -0.41 0.27 0.45 0.00 0.00 0.00 179.25 179.41 1t13 h HIS 141 N 0.08 0.80 -0.24 0.00 -0.00 -0.74 -1.01 115.15 114.03 1t13 h HIS 141 Ca 0.22 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1t13 h HIS 141 Cb 0.33 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1t13 h HIS 141 CO -0.31 0.61 0.13 0.00 -0.00 0.00 0.00 177.93 178.36 1t13 h ALA 142 N 1.11 0.30 -0.03 2.45 0.00 0.45 0.27 119.26 123.79 1t13 h ALA 142 Ca 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1t13 h ALA 142 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1t13 h ALA 142 CO -0.02 -0.26 -0.24 0.00 0.00 0.00 0.00 179.25 178.72 1t13 h ALA 143 N 1.11 -0.30 0.35 0.00 0.00 -0.14 0.39 119.26 120.66 1t13 h ALA 143 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1t13 h ALA 143 Cb 0.01 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1t13 h ALA 143 CO -0.05 -0.73 -0.21 -0.07 0.00 0.00 0.00 179.25 178.19 1t13 h LEU 144 N -0.36 -0.52 -0.28 0.00 3.38 -0.93 0.04 115.31 116.64 1t13 h LEU 144 Ca 0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1t13 h LEU 144 Cb 0.46 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1t13 h LEU 144 CO -0.24 -0.33 -0.43 1.56 0.09 0.00 0.00 178.44 179.09 1t13 h GLN 145 N -0.53 -0.39 -0.38 1.13 4.20 -0.01 -0.35 115.11 118.78 1t13 h GLN 145 Ca -0.04 0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1t13 h GLN 145 Cb 0.43 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1t13 h GLN 145 CO 0.04 -0.26 0.02 0.97 -0.67 0.00 0.00 178.83 178.93 1t13 h ILE 146 N -0.40 1.25 -0.72 2.54 6.09 -0.14 0.17 117.51 126.30 1t13 h ILE 146 Ca 0.11 -0.96 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 1t13 h ILE 146 Cb 0.60 1.13 -0.04 0.00 0.47 0.00 0.00 36.82 38.98 1t13 h ILE 146 CO -0.49 0.32 0.45 0.58 -3.07 0.00 0.00 178.15 175.94 1t13 h VAL 147 N 0.49 1.19 0.58 2.19 2.07 -0.77 -1.35 116.25 120.66 1t13 h VAL 147 Ca 0.11 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1t13 h VAL 147 Cb 0.44 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1t13 h VAL 147 CO 0.02 0.20 -0.28 -1.28 0.02 0.00 0.00 177.57 176.25 1t13 h SER 148 N 0.98 -0.66 -1.06 0.57 0.87 -0.79 -2.75 113.55 110.72 1t13 h SER 148 Ca 0.26 0.02 0.29 0.00 -1.23 0.00 0.00 61.79 61.13 1t13 h SER 148 Cb -0.07 0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 61.95 1t13 h SER 148 CO -0.05 -0.25 0.66 -0.33 -0.53 0.00 0.00 176.83 176.32 1t13 h GLU 149 N -1.21 0.39 -0.09 2.24 4.39 -0.54 0.36 114.58 120.13 1t13 h GLU 149 Ca -0.08 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1t13 h GLU 149 Cb 0.60 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1t13 h GLU 149 CO 0.13 0.26 -0.50 0.00 -1.16 0.00 0.00 179.01 177.73 1t13 h ARG 150 N 0.40 0.24 0.00 2.33 3.08 -1.24 -2.69 114.38 116.50 1t13 h ARG 150 Ca 0.66 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1t13 h ARG 150 Cb 1.58 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1t13 h ARG 150 CO -0.41 0.69 0.00 0.77 -1.07 0.00 0.00 179.97 179.96 1t13 h SER 151 N 0.19 0.00 -0.55 7.04 0.02 0.03 -2.63 113.55 117.65 1t13 h SER 151 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1t13 h SER 151 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1t13 h SER 151 CO 0.08 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.31 1t13 n ARG 152 N -2.31 2.86 -2.75 3.45 3.00 -0.92 -4.96 116.66 115.03 1t13 n ARG 152 Ca 0.03 -2.41 -0.42 0.00 -0.01 0.00 0.00 57.85 55.05 1t13 n ARG 152 Cb 0.29 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 31.26 1t13 n ARG 152 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1t13 s ILE 153 N -1.08 4.87 -0.92 0.55 1.01 -0.99 -4.96 121.20 119.68 1t13 s ILE 153 Ca 0.37 1.98 -0.24 0.00 0.00 0.00 0.00 60.65 62.76 1t13 s ILE 153 Cb 0.20 -4.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1t13 s ILE 153 CO 0.24 0.14 1.76 0.00 0.00 0.00 0.00 174.94 177.09 1t13 s ALA 154 N 1.20 2.05 -1.12 9.38 0.00 -1.26 -4.81 121.76 127.20 1t13 s ALA 154 Ca 0.49 -1.71 0.10 0.00 0.00 0.00 0.00 51.96 50.85 1t13 s ALA 154 Cb -0.20 -4.53 0.46 0.00 0.00 0.00 0.00 23.12 18.86 1t13 s ALA 154 CO 0.25 -4.34 1.30 0.00 0.00 0.00 0.00 175.76 172.96 1t13 n ALA 155 N 12.14 1.52 0.00 0.00 0.00 -1.26 -5.27 120.51 127.64 1t13 n ALA 155 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1t13 n ALA 155 Cb 0.49 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1t13 n ALA 155 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78