#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1di0 s SER 12 N 0.00 3.74 0.19 3.42 0.01 -1.26 -4.55 113.70 115.25 1di0 s SER 12 Ca 0.00 -1.15 -0.15 0.00 1.31 0.00 0.00 55.95 55.96 1di0 s SER 12 Cb 0.00 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.14 1di0 s SER 12 CO 0.00 -0.25 0.46 0.72 0.41 0.00 0.00 173.24 174.58 1di0 s PHE 13 N 1.45 0.06 0.17 2.43 -0.12 -1.23 -5.06 117.98 115.68 1di0 s PHE 13 Ca -0.05 -0.41 0.06 0.00 -0.05 0.00 0.00 56.93 56.49 1di0 s PHE 13 Cb -0.19 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1di0 s PHE 13 CO -0.07 -0.87 0.05 0.15 -0.05 0.00 0.00 175.22 174.43 1di0 s LYS 14 N -3.91 2.60 -0.07 1.99 1.02 -1.26 -3.04 119.74 117.07 1di0 s LYS 14 Ca 0.12 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 55.13 1di0 s LYS 14 Cb 0.00 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1di0 s LYS 14 CO -0.01 0.47 -0.13 0.42 -0.92 0.00 0.00 175.35 175.18 1di0 s ILE 15 N -1.73 1.21 -0.12 2.17 1.01 -0.70 -0.97 121.20 122.08 1di0 s ILE 15 Ca 0.29 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1di0 s ILE 15 Cb -0.10 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1di0 s ILE 15 CO 0.20 0.37 0.43 0.00 0.00 0.00 0.00 174.94 175.94 1di0 s ALA 16 N 0.70 3.52 -0.29 9.38 0.00 -0.94 -1.39 121.76 132.74 1di0 s ALA 16 Ca -0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1di0 s ALA 16 Cb -0.16 -2.56 0.05 0.00 0.00 0.00 0.00 23.12 20.45 1di0 s ALA 16 CO 0.03 0.06 -0.03 0.12 0.00 0.00 0.00 175.76 175.95 1di0 s PHE 17 N 0.46 3.25 -0.33 0.00 5.36 -0.55 -1.08 117.98 125.09 1di0 s PHE 17 Ca 0.23 -1.95 -0.18 0.00 -0.96 0.00 0.00 56.93 54.08 1di0 s PHE 17 Cb -0.15 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 1di0 s PHE 17 CO 0.09 -0.81 0.52 0.42 -1.46 0.00 0.00 175.22 173.98 1di0 s ILE 18 N 1.23 5.02 -0.08 3.12 1.01 0.17 -0.97 121.20 130.70 1di0 s ILE 18 Ca -0.06 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.15 1di0 s ILE 18 Cb -0.20 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1di0 s ILE 18 CO -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 174.94 174.57 1di0 s GLN 19 N 2.40 2.80 0.53 2.79 -2.07 -0.41 -1.06 119.66 124.65 1di0 s GLN 19 Ca 0.20 -0.83 -0.18 0.00 -1.82 0.00 0.00 55.36 52.73 1di0 s GLN 19 Cb -0.15 -2.31 -0.06 0.00 -1.09 0.00 0.00 33.01 29.40 1di0 s GLN 19 CO 0.12 0.34 1.04 0.00 -1.32 0.00 0.00 175.29 175.48 1di0 s ALA 20 N -0.05 2.82 -1.01 2.60 0.00 -0.76 -2.27 121.76 123.10 1di0 s ALA 20 Ca -0.06 0.50 0.20 0.00 0.00 0.00 0.00 51.96 52.60 1di0 s ALA 20 Cb -0.15 -3.24 -0.21 0.00 0.00 0.00 0.00 23.12 19.53 1di0 s ALA 20 CO 0.05 -0.53 0.87 0.54 0.00 0.00 0.00 175.76 176.69 1di0 n ARG 21 N -1.46 0.35 -2.01 0.00 5.12 -0.48 -4.57 116.66 113.62 1di0 n ARG 21 Ca 0.09 -0.05 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 1di0 n ARG 21 Cb 0.53 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 30.34 1di0 n ARG 21 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1di0 s TRP 22 N -2.89 3.07 -1.64 -1.55 -0.00 -1.17 -1.41 118.94 113.35 1di0 s TRP 22 Ca 0.08 0.88 -0.02 0.00 -0.00 0.00 0.00 56.10 57.04 1di0 s TRP 22 Cb 0.15 -3.84 0.00 0.00 -0.00 0.00 0.00 33.47 29.79 1di0 s TRP 22 CO 0.82 -2.88 0.28 0.72 -0.00 0.00 0.00 176.95 175.89 1di0 n HIS 23 N 3.09 -1.47 -0.16 5.86 8.25 -1.26 -4.68 115.22 124.86 1di0 n HIS 23 Ca 0.10 0.24 0.29 0.00 -0.26 0.00 0.00 57.72 58.08 1di0 n HIS 23 Cb 0.40 -4.11 0.68 0.00 1.12 0.00 0.00 29.99 28.08 1di0 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1di0 h ALA 24 N 1.00 2.74 -0.84 -1.41 0.00 -1.48 0.36 119.26 119.63 1di0 h ALA 24 Ca -0.50 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1di0 h ALA 24 Cb 1.36 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1di0 h ALA 24 CO 0.57 -1.26 0.56 0.38 0.00 0.00 0.00 179.25 179.50 1di0 h ASP 25 N 0.00 0.95 0.03 0.00 3.04 -1.88 0.18 116.42 118.73 1di0 h ASP 25 Ca 0.42 -0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 54.19 1di0 h ASP 25 Cb 2.01 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 40.07 1di0 h ASP 25 CO -0.00 0.68 -0.01 0.40 -2.04 0.00 0.00 179.24 178.26 1di0 h ILE 26 N 1.11 0.76 -0.95 4.15 2.04 -1.30 -3.36 117.51 119.98 1di0 h ILE 26 Ca 0.32 -1.51 0.18 0.00 1.00 0.00 0.00 64.86 64.84 1di0 h ILE 26 Cb -0.08 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 1di0 h ILE 26 CO -0.08 0.25 0.60 0.58 0.00 0.00 0.00 178.15 179.51 1di0 h VAL 27 N -0.99 0.75 -0.42 1.67 2.07 -1.44 0.20 116.25 118.08 1di0 h VAL 27 Ca -0.00 -0.22 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1di0 h VAL 27 Cb 0.44 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1di0 h VAL 27 CO 0.01 0.12 0.30 0.44 0.02 0.00 0.00 177.57 178.45 1di0 h ASP 28 N 0.65 0.11 -0.40 0.57 3.45 -0.79 -1.56 116.42 118.45 1di0 h ASP 28 Ca 0.51 0.00 0.05 0.00 0.43 0.00 0.00 57.03 58.02 1di0 h ASP 28 Cb 0.91 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 39.62 1di0 h ASP 28 CO -0.26 0.07 0.12 -0.08 -1.57 0.00 0.00 179.24 177.52 1di0 h GLU 29 N 0.13 0.26 -0.66 3.56 4.57 -0.74 -1.52 114.58 120.17 1di0 h GLU 29 Ca 0.20 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1di0 h GLU 29 Cb 0.62 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1di0 h GLU 29 CO -0.02 0.17 0.42 0.00 -1.18 0.00 0.00 179.01 178.40 1di0 h ALA 30 N 1.27 0.86 -0.49 2.92 0.00 -1.37 -1.92 119.26 120.53 1di0 h ALA 30 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1di0 h ALA 30 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1di0 h ALA 30 CO -0.21 0.20 0.15 -0.09 0.00 0.00 0.00 179.25 179.30 1di0 h ARG 31 N 0.83 0.77 0.13 0.00 2.43 -1.31 0.70 114.38 117.94 1di0 h ARG 31 Ca 0.26 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1di0 h ARG 31 Cb -0.01 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1di0 h ARG 31 CO -0.09 0.73 -0.18 0.87 -1.51 0.00 0.00 179.97 179.79 1di0 h LYS 32 N 0.67 -0.35 -0.46 0.20 1.57 -1.06 0.18 116.57 117.32 1di0 h LYS 32 Ca 0.16 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.04 1di0 h LYS 32 Cb 0.28 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 1di0 h LYS 32 CO -0.00 -0.23 0.10 1.03 -0.57 0.00 0.00 179.45 179.78 1di0 h SER 33 N -0.36 0.03 0.07 0.86 0.87 -1.29 -0.64 113.55 113.09 1di0 h SER 33 Ca 0.02 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1di0 h SER 33 Cb 0.36 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1di0 h SER 33 CO -0.08 0.05 -0.04 0.15 -0.53 0.00 0.00 176.83 176.39 1di0 h PHE 34 N 0.24 -0.09 -0.22 2.24 3.57 -0.47 -2.00 116.94 120.21 1di0 h PHE 34 Ca 0.23 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1di0 h PHE 34 Cb 0.29 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1di0 h PHE 34 CO -0.21 -0.01 -0.17 0.28 -2.23 0.00 0.00 178.31 175.97 1di0 h VAL 35 N -0.15 1.23 0.56 1.41 2.07 -0.05 -1.86 116.25 119.46 1di0 h VAL 35 Ca -0.01 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 1di0 h VAL 35 Cb 0.12 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1di0 h VAL 35 CO 0.02 0.32 -0.27 0.00 0.02 0.00 0.00 177.57 177.66 1di0 h ALA 36 N 1.48 -1.00 -0.68 1.67 0.00 -1.07 -1.91 119.26 117.76 1di0 h ALA 36 Ca 0.06 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1di0 h ALA 36 Cb 0.50 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1di0 h ALA 36 CO 0.03 -0.95 0.11 0.93 0.00 0.00 0.00 179.25 179.37 1di0 h GLU 37 N -0.88 0.21 -0.99 0.00 4.39 -1.33 0.49 114.58 116.46 1di0 h GLU 37 Ca -0.08 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.71 1di0 h GLU 37 Cb 0.57 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.10 1di0 h GLU 37 CO 0.13 0.14 0.63 -0.07 -1.16 0.00 0.00 179.01 178.67 1di0 h LEU 38 N 0.21 0.94 -0.08 1.33 3.38 -1.33 -1.05 115.31 118.71 1di0 h LEU 38 Ca 0.37 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 1di0 h LEU 38 Cb 0.61 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1di0 h LEU 38 CO -0.50 0.54 -0.22 0.00 0.09 0.00 0.00 178.44 178.35 1di0 h ALA 39 N 1.52 0.14 -0.13 1.53 0.00 0.68 -1.30 119.26 121.70 1di0 h ALA 39 Ca 0.46 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1di0 h ALA 39 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1di0 h ALA 39 CO -0.22 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1di0 n ALA 40 N -2.47 -0.18 0.27 0.00 0.00 0.27 0.10 120.51 118.49 1di0 n ALA 40 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1di0 n ALA 40 Cb 0.43 0.30 0.78 0.00 0.00 0.00 0.00 19.45 20.96 1di0 n ALA 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1di0 h LYS 41 N 0.00 0.00 0.00 0.00 6.56 -1.26 -3.10 116.57 118.77 1di0 h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1di0 h LYS 41 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1di0 h LYS 41 CO 0.00 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.64 1di0 n THR 42 N -2.63 0.02 0.00 -0.16 -2.24 -0.49 -5.00 114.28 103.78 1di0 n THR 42 Ca -0.02 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1di0 n THR 42 Cb 0.22 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1di0 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1di0 n GLY 43 N -0.01 2.19 0.00 3.38 0.00 0.28 -3.31 105.19 107.72 1di0 n GLY 43 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1di0 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1di0 n GLY 44 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.74 105.19 99.17 1di0 n GLY 44 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1di0 n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1di0 n SER 45 N 0.00 0.00 -3.97 1.61 3.41 -1.21 -4.25 113.62 109.21 1di0 n SER 45 Ca 0.00 -0.70 -0.31 0.00 -0.26 0.00 0.00 58.87 57.60 1di0 n SER 45 Cb 0.00 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 63.73 1di0 n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1di0 s VAL 46 N -2.15 1.80 -0.07 -3.33 1.01 -1.26 -3.54 120.40 112.87 1di0 s VAL 46 Ca 0.39 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.68 1di0 s VAL 46 Cb 0.20 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1di0 s VAL 46 CO 0.36 -0.28 0.17 -1.83 0.00 0.00 0.00 175.10 173.52 1di0 s GLU 47 N 1.22 3.46 -0.27 2.72 -1.05 -1.17 -4.86 118.70 118.75 1di0 s GLU 47 Ca -0.00 -0.17 -0.06 0.00 -0.15 0.00 0.00 54.97 54.58 1di0 s GLU 47 Cb -0.19 -3.15 -0.00 0.00 -0.44 0.00 0.00 34.13 30.35 1di0 s GLU 47 CO -0.09 0.73 0.06 0.08 0.95 0.00 0.00 175.26 177.00 1di0 s VAL 48 N -1.14 3.94 -0.09 1.83 1.01 -1.26 -1.71 120.40 122.98 1di0 s VAL 48 Ca 0.20 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 1di0 s VAL 48 Cb -0.12 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1di0 s VAL 48 CO 0.10 0.18 0.50 -1.61 0.00 0.00 0.00 175.10 174.27 1di0 s GLU 49 N 1.52 4.30 -0.12 2.72 2.02 -0.49 -4.95 118.70 123.69 1di0 s GLU 49 Ca 0.04 0.51 -0.08 0.00 0.02 0.00 0.00 54.97 55.46 1di0 s GLU 49 Cb -0.16 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1di0 s GLU 49 CO 0.02 0.24 0.15 0.42 0.02 0.00 0.00 175.26 176.11 1di0 s ILE 50 N 0.33 5.48 -0.06 -1.63 1.09 -1.26 -1.49 121.20 123.66 1di0 s ILE 50 Ca 0.27 0.24 0.02 0.00 -1.10 0.00 0.00 60.65 60.08 1di0 s ILE 50 Cb -0.16 -3.42 0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1di0 s ILE 50 CO 0.12 0.60 -0.12 -0.36 -0.10 0.00 0.00 174.94 175.09 1di0 s PHE 51 N -0.92 1.39 0.20 3.97 0.40 -0.15 -4.93 117.98 117.95 1di0 s PHE 51 Ca 0.15 -0.51 -0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1di0 s PHE 51 Cb -0.12 -1.03 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 1di0 s PHE 51 CO 0.04 -0.27 0.45 -0.51 0.70 0.00 0.00 175.22 175.63 1di0 s ASP 52 N 0.69 6.49 -0.09 1.36 1.01 -1.26 -1.28 116.67 123.58 1di0 s ASP 52 Ca -0.14 0.65 -0.14 0.00 0.71 0.00 0.00 52.55 53.63 1di0 s ASP 52 Cb -0.16 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.69 1di0 s ASP 52 CO 0.03 -0.05 0.35 -0.69 0.21 0.00 0.00 175.17 175.02 1di0 s VAL 53 N -1.83 0.02 0.11 -1.27 1.01 -0.96 -4.91 120.40 112.57 1di0 s VAL 53 Ca 0.42 -0.17 -0.33 0.00 0.00 0.00 0.00 61.98 61.91 1di0 s VAL 53 Cb -0.11 -0.55 -0.12 0.00 0.00 0.00 0.00 36.38 35.60 1di0 s VAL 53 CO 0.26 -0.09 1.57 -0.65 0.00 0.00 0.00 175.10 176.19 1di0 h PRO 54 N 4.94 -0.67 0.00 2.72 0.11 -1.95 -1.27 132.00 135.88 1di0 h PRO 54 Ca -0.28 0.05 -0.27 0.00 0.11 0.00 0.00 66.00 65.61 1di0 h PRO 54 Cb 1.18 0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.37 1di0 h PRO 54 CO 0.32 -0.45 -0.26 0.41 -0.21 0.00 0.00 178.00 177.81 1di0 n GLY 55 N -1.48 3.41 0.29 -0.55 0.00 -1.26 -2.43 105.19 103.18 1di0 n GLY 55 Ca -0.08 -1.80 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 1di0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di0 h ALA 56 N 1.59 0.94 -0.01 4.61 0.00 -1.93 -2.13 119.26 122.33 1di0 h ALA 56 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1di0 h ALA 56 Cb 0.68 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1di0 h ALA 56 CO 0.20 0.40 0.14 -0.92 0.00 0.00 0.00 179.25 179.07 1di0 h TYR 57 N 1.00 0.00 -0.02 0.00 3.20 -1.96 0.13 116.97 119.33 1di0 h TYR 57 Ca 0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1di0 h TYR 57 Cb -0.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1di0 h TYR 57 CO -0.01 0.00 -0.00 0.39 -1.64 0.00 0.00 178.16 176.90 1di0 n GLU 58 N -3.08 1.75 -0.04 1.82 4.71 -0.80 -4.45 120.64 120.56 1di0 n GLU 58 Ca -0.02 -1.10 -0.15 0.00 -0.01 0.00 0.00 57.16 55.88 1di0 n GLU 58 Cb 0.20 -1.48 -0.09 0.00 -1.01 0.00 0.00 31.44 29.07 1di0 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1di0 h ILE 59 N 2.68 1.41 -0.26 -3.67 2.04 -0.80 -3.22 117.51 115.68 1di0 h ILE 59 Ca 0.00 -1.65 0.05 0.00 1.00 0.00 0.00 64.86 64.27 1di0 h ILE 59 Cb 0.57 2.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.83 1di0 h ILE 59 CO 0.00 0.48 -0.07 -0.65 0.00 0.00 0.00 178.15 177.91 1di0 h PRO 60 N -0.11 -0.01 -0.44 2.37 0.11 -1.78 -1.19 132.00 130.96 1di0 h PRO 60 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 1di0 h PRO 60 Cb 0.92 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1di0 h PRO 60 CO 0.06 -0.00 0.09 1.25 -0.21 0.00 0.00 178.00 179.18 1di0 h LEU 61 N -0.01 0.62 -0.19 2.35 5.85 -1.87 0.15 115.31 122.22 1di0 h LEU 61 Ca 0.13 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1di0 h LEU 61 Cb 0.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1di0 h LEU 61 CO -0.27 0.63 0.06 -0.74 -0.34 0.00 0.00 178.44 177.78 1di0 h HIS 62 N 0.64 0.31 -0.18 1.25 2.76 -1.50 0.70 115.15 119.13 1di0 h HIS 62 Ca 0.14 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1di0 h HIS 62 Cb 0.28 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1di0 h HIS 62 CO 0.01 0.39 0.11 0.00 -1.30 0.00 0.00 177.93 177.14 1di0 h ALA 63 N 0.88 0.23 -0.90 5.26 0.00 -0.88 -0.66 119.26 123.18 1di0 h ALA 63 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1di0 h ALA 63 Cb 0.23 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1di0 h ALA 63 CO -0.00 -0.30 0.58 -0.22 0.00 0.00 0.00 179.25 179.31 1di0 h LYS 64 N 0.23 1.08 -0.09 0.00 3.64 -0.85 0.84 116.57 121.42 1di0 h LYS 64 Ca 0.07 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1di0 h LYS 64 Cb -0.01 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1di0 h LYS 64 CO -0.03 0.71 0.03 1.15 -2.27 0.00 0.00 179.45 179.05 1di0 h THR 65 N 1.11 1.16 -0.32 1.00 2.02 -0.37 -1.19 112.91 116.32 1di0 h THR 65 Ca 0.37 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1di0 h THR 65 Cb 0.05 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1di0 h THR 65 CO -0.13 0.14 0.11 -0.07 0.37 0.00 0.00 175.52 175.94 1di0 h LEU 66 N -0.02 0.46 -0.83 2.58 3.38 -0.75 -2.21 115.31 117.92 1di0 h LEU 66 Ca 0.03 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.92 1di0 h LEU 66 Cb 0.19 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1di0 h LEU 66 CO -0.00 0.53 0.47 0.00 0.09 0.00 0.00 178.44 179.53 1di0 h ALA 67 N 0.95 1.21 0.00 1.53 0.00 0.81 -1.51 119.26 122.25 1di0 h ALA 67 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1di0 h ALA 67 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1di0 h ALA 67 CO -0.01 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1di0 h ARG 68 N 0.75 0.00 0.00 0.00 3.08 -0.56 -2.83 114.38 114.81 1di0 h ARG 68 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1di0 h ARG 68 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1di0 h ARG 68 CO -0.28 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.87 1di0 n THR 69 N -2.72 0.75 0.00 2.04 -2.24 -0.57 -4.89 114.28 106.64 1di0 n THR 69 Ca -0.01 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1di0 n THR 69 Cb 0.13 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1di0 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1di0 n GLY 70 N 0.29 2.33 0.14 3.38 0.00 -1.07 -4.87 105.19 105.39 1di0 n GLY 70 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1di0 n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1di0 h ARG 71 N 1.31 0.00 -6.31 1.61 3.08 -1.84 -3.46 114.38 108.77 1di0 h ARG 71 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1di0 h ARG 71 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.79 1di0 h ARG 71 CO 0.00 0.00 -0.86 0.71 -1.07 0.00 0.00 179.97 178.75 1di0 s TYR 72 N -3.25 2.00 -0.68 3.04 1.51 -1.26 -4.38 117.35 114.33 1di0 s TYR 72 Ca 0.07 -0.39 0.25 0.00 -1.01 0.00 0.00 57.07 55.99 1di0 s TYR 72 Cb 0.10 -1.20 0.65 0.00 -0.11 0.00 0.00 41.96 41.40 1di0 s TYR 72 CO 0.50 0.09 1.64 0.00 -1.11 0.00 0.00 175.55 176.68 1di0 h ALA 73 N 4.92 0.89 -2.02 3.71 0.00 -1.40 -3.47 119.26 121.89 1di0 h ALA 73 Ca -0.44 0.00 0.16 0.00 0.00 0.00 0.00 54.91 54.63 1di0 h ALA 73 Cb 1.15 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1di0 h ALA 73 CO 0.44 0.00 0.60 0.00 0.00 0.00 0.00 179.25 180.29 1di0 s ALA 74 N -3.13 -1.90 0.00 0.00 0.00 -1.25 -4.33 121.76 111.14 1di0 s ALA 74 Ca 0.09 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.27 1di0 s ALA 74 Cb 0.12 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1di0 s ALA 74 CO 0.64 -0.66 -0.05 0.42 0.00 0.00 0.00 175.76 176.11 1di0 s ILE 75 N -2.89 0.37 -0.04 0.00 1.01 -0.89 -2.20 121.20 116.55 1di0 s ILE 75 Ca 0.06 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1di0 s ILE 75 Cb -0.01 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 1di0 s ILE 75 CO -0.08 0.04 -0.23 -0.69 0.00 0.00 0.00 174.94 173.99 1di0 s VAL 76 N -0.25 1.86 -0.10 2.92 1.01 -0.24 0.46 120.40 126.07 1di0 s VAL 76 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1di0 s VAL 76 Cb -0.03 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1di0 s VAL 76 CO -0.00 0.52 -0.17 -0.83 0.00 0.00 0.00 175.10 174.62 1di0 s GLY 77 N -0.29 1.08 -0.01 4.51 0.00 -0.66 -0.65 107.32 111.29 1di0 s GLY 77 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1di0 s GLY 77 CO 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 173.10 173.02 1di0 s ALA 78 N 0.70 0.97 -0.01 3.20 0.00 -0.23 -0.94 121.76 125.46 1di0 s ALA 78 Ca -0.12 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1di0 s ALA 78 Cb -0.16 -0.27 0.10 0.00 0.00 0.00 0.00 23.12 22.80 1di0 s ALA 78 CO 0.03 0.23 0.90 0.00 0.00 0.00 0.00 175.76 176.92 1di0 s ALA 79 N -0.20 -1.83 -0.23 0.00 0.00 -0.38 -1.83 121.76 117.30 1di0 s ALA 79 Ca 0.03 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1di0 s ALA 79 Cb -0.05 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1di0 s ALA 79 CO -0.00 -0.69 -0.09 0.12 0.00 0.00 0.00 175.76 175.09 1di0 s PHE 80 N -3.10 2.99 -0.33 0.00 2.19 -1.26 -2.25 117.98 116.22 1di0 s PHE 80 Ca 0.05 -1.51 -0.01 0.00 0.33 0.00 0.00 56.93 55.80 1di0 s PHE 80 Cb -0.01 -2.03 0.07 0.00 -1.31 0.00 0.00 43.02 39.75 1di0 s PHE 80 CO -0.09 -0.72 0.04 0.08 1.83 0.00 0.00 175.22 176.36 1di0 s VAL 81 N 1.33 2.87 -0.52 3.12 1.01 -0.72 -4.94 120.40 122.55 1di0 s VAL 81 Ca 0.02 -1.70 -0.26 0.00 0.00 0.00 0.00 61.98 60.04 1di0 s VAL 81 Cb -0.15 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1di0 s VAL 81 CO -0.06 -0.30 1.00 -0.51 0.00 0.00 0.00 175.10 175.23 1di0 s ILE 82 N 1.16 4.33 -0.05 2.22 -1.16 -1.26 -4.04 121.20 122.39 1di0 s ILE 82 Ca -0.00 0.62 -0.17 0.00 -0.51 0.00 0.00 60.65 60.59 1di0 s ILE 82 Cb -0.20 -4.55 -0.05 0.00 0.61 0.00 0.00 42.46 38.27 1di0 s ILE 82 CO -0.03 -1.06 0.45 -0.62 -2.81 0.00 0.00 174.94 170.86 1di0 s ASP 83 N 2.65 6.76 0.00 4.50 3.68 -1.26 -4.84 116.67 128.15 1di0 s ASP 83 Ca 0.36 0.90 0.00 0.00 2.13 0.00 0.00 52.55 55.94 1di0 s ASP 83 Cb -0.10 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 1di0 s ASP 83 CO 0.24 0.17 0.00 0.61 0.13 0.00 0.00 175.17 176.32 1di0 n GLY 84 N 2.52 2.47 0.00 2.66 0.00 -1.26 -4.31 105.19 107.28 1di0 n GLY 84 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1di0 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1di0 n GLY 85 N 1.66 0.43 0.30 -0.02 0.00 -1.26 -4.87 105.19 101.44 1di0 n GLY 85 Ca 0.00 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.43 1di0 n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1di0 h ILE 86 N 0.00 1.10 -3.24 -0.61 1.08 -2.03 -3.42 117.51 110.39 1di0 h ILE 86 Ca 0.00 -0.18 -0.59 0.00 -0.39 0.00 0.00 64.86 63.70 1di0 h ILE 86 Cb 0.00 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 34.23 1di0 h ILE 86 CO 0.00 0.09 -0.25 -0.31 -0.69 0.00 0.00 178.15 177.00 1di0 s TYR 87 N -5.44 3.52 0.11 1.37 1.51 -1.26 -5.07 117.35 112.10 1di0 s TYR 87 Ca -0.08 0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 56.43 1di0 s TYR 87 Cb 0.17 -2.39 -0.08 0.00 -0.11 0.00 0.00 41.96 39.55 1di0 s TYR 87 CO 0.73 0.29 1.45 0.34 -1.11 0.00 0.00 175.55 177.25 1di0 s ASP 88 N 0.24 6.75 0.00 2.29 -1.08 -1.26 -4.10 116.67 119.51 1di0 s ASP 88 Ca 0.21 2.39 0.00 0.00 -0.52 0.00 0.00 52.55 54.63 1di0 s ASP 88 Cb -0.14 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1di0 s ASP 88 CO 0.08 -0.72 0.32 1.41 0.52 0.00 0.00 175.17 176.78 1di0 n HIS 89 N 4.21 0.00 0.24 -5.34 8.25 -1.26 -4.70 115.22 116.61 1di0 n HIS 89 Ca 0.12 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.68 1di0 n HIS 89 Cb 0.41 0.00 0.59 0.00 1.12 0.00 0.00 29.99 32.11 1di0 n HIS 89 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1di0 h ASP 90 N 0.00 0.00 -0.77 0.41 -0.00 -1.94 -2.71 116.42 111.41 1di0 h ASP 90 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.08 1di0 h ASP 90 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.38 1di0 h ASP 90 CO 0.00 0.20 0.47 -0.26 -0.00 0.00 0.00 179.24 179.65 1di0 h PHE 91 N 0.00 0.88 -0.07 4.15 0.05 -2.00 0.11 116.94 120.07 1di0 h PHE 91 Ca -0.00 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 1di0 h PHE 91 Cb 0.47 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.13 1di0 h PHE 91 CO 0.00 0.46 -0.01 0.28 -0.18 0.00 0.00 178.31 178.86 1di0 h VAL 92 N 0.89 1.28 -0.57 -0.55 2.07 -1.84 -2.47 116.25 115.06 1di0 h VAL 92 Ca 0.33 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1di0 h VAL 92 Cb 0.12 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 1di0 h VAL 92 CO -0.15 0.25 0.18 0.00 0.02 0.00 0.00 177.57 177.86 1di0 h ALA 93 N 0.68 0.70 -0.48 1.67 0.00 -1.32 -0.09 119.26 120.41 1di0 h ALA 93 Ca 0.02 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1di0 h ALA 93 Cb 0.40 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1di0 h ALA 93 CO 0.01 -0.24 0.31 1.15 0.00 0.00 0.00 179.25 180.48 1di0 h THR 94 N 0.34 1.09 -0.69 0.00 2.02 -0.97 -1.04 112.91 113.67 1di0 h THR 94 Ca 0.29 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1di0 h THR 94 Cb 0.36 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1di0 h THR 94 CO -0.31 0.11 0.34 0.00 0.37 0.00 0.00 175.52 176.03 1di0 h ALA 95 N 1.19 1.31 -0.01 6.16 0.00 -0.82 -1.87 119.26 125.23 1di0 h ALA 95 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1di0 h ALA 95 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1di0 h ALA 95 CO -0.06 0.54 -0.06 0.28 0.00 0.00 0.00 179.25 179.95 1di0 h VAL 96 N 0.96 1.51 -0.21 0.00 2.07 -0.78 0.79 116.25 120.59 1di0 h VAL 96 Ca 0.24 -1.60 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 1di0 h VAL 96 Cb 0.08 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1di0 h VAL 96 CO -0.03 0.43 -0.37 0.40 0.02 0.00 0.00 177.57 178.01 1di0 h ILE 97 N -0.57 1.30 -0.19 4.57 2.04 -1.20 -0.98 117.51 122.48 1di0 h ILE 97 Ca -0.00 -1.50 -0.14 0.00 1.00 0.00 0.00 64.86 64.22 1di0 h ILE 97 Cb 0.73 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1di0 h ILE 97 CO 0.01 0.47 -0.42 0.78 0.00 0.00 0.00 178.15 178.99 1di0 h ASN 98 N 0.38 0.70 -0.79 1.72 -0.26 -1.44 -2.94 115.58 112.96 1di0 h ASN 98 Ca 0.04 -0.56 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 1di0 h ASN 98 Cb 0.83 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.85 1di0 h ASN 98 CO 0.07 1.13 0.50 1.23 -1.06 0.00 0.00 177.43 179.30 1di0 h GLY 99 N 0.31 1.14 1.01 2.83 0.00 -0.53 -0.03 103.07 107.79 1di0 h GLY 99 Ca 0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 1di0 h GLY 99 CO 0.09 0.44 0.09 -0.33 0.00 0.00 0.00 176.54 176.83 1di0 h MET 100 N 1.09 0.90 -0.24 4.80 2.86 -1.22 -1.54 114.93 121.58 1di0 h MET 100 Ca 0.29 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1di0 h MET 100 Cb -0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1di0 h MET 100 CO -0.06 0.87 0.15 1.98 1.06 0.00 0.00 176.91 180.92 1di0 h MET 101 N 0.79 0.31 -0.96 1.72 -1.53 -1.21 -1.80 114.93 112.25 1di0 h MET 101 Ca 0.17 -0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.45 1di0 h MET 101 Cb 0.40 -0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.33 1di0 h MET 101 CO 0.01 0.20 0.63 0.37 0.14 0.00 0.00 176.91 178.26 1di0 h GLN 102 N 0.32 1.15 -0.36 0.39 4.15 -0.75 -1.75 115.11 118.25 1di0 h GLN 102 Ca 0.09 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 1di0 h GLN 102 Cb -0.03 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.39 1di0 h GLN 102 CO -0.03 0.76 -0.31 0.28 -1.93 0.00 0.00 178.83 177.61 1di0 h VAL 103 N 1.18 1.28 0.00 2.39 2.07 -0.86 -1.94 116.25 120.37 1di0 h VAL 103 Ca 0.39 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 1di0 h VAL 103 Cb 0.07 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1di0 h VAL 103 CO -0.13 0.48 -0.32 0.06 0.02 0.00 0.00 177.57 177.68 1di0 h GLN 104 N 0.67 0.00 0.00 1.57 3.07 -0.96 -1.04 115.11 118.42 1di0 h GLN 104 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.66 1di0 h GLN 104 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.38 1di0 h GLN 104 CO 0.07 0.32 -0.75 -0.07 0.09 0.00 0.00 178.83 178.49 1di0 h LEU 105 N 0.00 0.00 0.17 0.06 3.38 -1.03 0.23 115.31 118.12 1di0 h LEU 105 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1di0 h LEU 105 Cb 1.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1di0 h LEU 105 CO 0.04 0.75 -1.56 -0.08 0.09 0.00 0.00 178.44 177.69 1di0 h GLU 106 N 0.00 0.36 0.00 1.13 4.81 -1.17 -3.37 114.58 116.34 1di0 h GLU 106 Ca -0.01 -0.61 -0.03 0.00 -0.13 0.00 0.00 59.36 58.59 1di0 h GLU 106 Cb 1.41 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 31.01 1di0 h GLU 106 CO 0.10 1.25 -1.88 0.25 -0.73 0.00 0.00 179.01 178.00 1di0 n THR 107 N -3.56 0.19 -2.11 0.32 -2.24 -0.41 -4.99 114.28 101.48 1di0 n THR 107 Ca -0.18 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1di0 n THR 107 Cb 1.06 -0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 1di0 n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1di0 n GLU 108 N -2.36 -1.03 -4.46 -0.78 1.02 0.07 -5.01 120.64 108.10 1di0 n GLU 108 Ca -0.05 0.69 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 1di0 n GLU 108 Cb 0.61 -4.89 -0.13 0.00 -0.02 0.00 0.00 31.44 27.00 1di0 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1di0 s VAL 109 N -2.63 3.43 0.32 2.62 1.01 -1.25 -5.07 120.40 118.83 1di0 s VAL 109 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 1di0 s VAL 109 Cb 0.00 -2.49 -0.12 0.00 0.00 0.00 0.00 36.38 33.77 1di0 s VAL 109 CO 0.00 0.49 1.39 -2.65 0.00 0.00 0.00 175.10 174.33 1di0 n PRO 110 N 3.79 2.28 -3.98 2.72 -0.02 -1.26 -4.52 135.00 134.01 1di0 n PRO 110 Ca -0.18 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 1di0 n PRO 110 Cb 0.52 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.39 1di0 n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1di0 s VAL 111 N -0.70 1.50 0.01 -1.45 1.01 -1.26 -2.10 120.40 117.41 1di0 s VAL 111 Ca 0.59 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1di0 s VAL 111 Cb -0.56 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1di0 s VAL 111 CO 0.58 0.29 0.33 -0.76 0.00 0.00 0.00 175.10 175.54 1di0 s LEU 112 N 1.49 4.40 -0.23 3.92 1.02 0.17 -4.95 118.68 124.50 1di0 s LEU 112 Ca 0.02 0.75 -0.09 0.00 0.02 0.00 0.00 54.13 54.83 1di0 s LEU 112 Cb -0.14 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.37 1di0 s LEU 112 CO -0.09 0.27 0.11 -0.55 0.02 0.00 0.00 176.35 176.12 1di0 s SER 113 N -1.42 5.69 -0.38 2.29 0.15 -1.26 -1.66 113.70 117.11 1di0 s SER 113 Ca 0.26 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 57.00 1di0 s SER 113 Cb -0.14 -2.02 0.44 0.00 -1.71 0.00 0.00 66.02 62.59 1di0 s SER 113 CO 0.14 0.05 1.08 0.52 1.20 0.00 0.00 173.24 176.23 1di0 n VAL 114 N 4.40 2.02 -3.56 4.45 0.31 -0.11 -4.94 118.33 120.90 1di0 n VAL 114 Ca -0.16 -4.30 -0.41 0.00 -0.01 0.00 0.00 64.34 59.46 1di0 n VAL 114 Cb 0.52 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.70 1di0 n VAL 114 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1di0 s VAL 115 N -4.77 4.29 -0.03 2.52 1.01 -1.25 -1.24 120.40 120.93 1di0 s VAL 115 Ca 0.43 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 1di0 s VAL 115 Cb 0.41 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1di0 s VAL 115 CO -0.10 -0.83 0.30 -0.76 0.00 0.00 0.00 175.10 173.72 1di0 s LEU 116 N 0.95 4.43 -0.30 3.92 2.01 -0.95 -4.93 118.68 123.81 1di0 s LEU 116 Ca 0.09 0.74 -0.01 0.00 0.01 0.00 0.00 54.13 54.97 1di0 s LEU 116 Cb -0.23 -2.44 0.10 0.00 0.01 0.00 0.00 46.19 43.62 1di0 s LEU 116 CO -0.02 0.34 0.09 -0.89 1.01 0.00 0.00 176.35 176.87 1di0 s THR 117 N -1.11 0.93 0.59 5.49 2.01 -1.26 -1.76 115.64 120.54 1di0 s THR 117 Ca 0.22 -1.37 -0.17 0.00 0.31 0.00 0.00 61.69 60.68 1di0 s THR 117 Cb -0.15 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1di0 s THR 117 CO 0.11 -0.62 1.08 -2.16 -0.69 0.00 0.00 174.62 172.34 1di0 s PRO 118 N 1.60 3.21 0.49 4.92 0.04 -1.26 -4.95 135.00 139.06 1di0 s PRO 118 Ca 0.09 1.35 0.17 0.00 0.04 0.00 0.00 61.00 62.64 1di0 s PRO 118 Cb -0.17 -2.01 1.20 0.00 0.04 0.00 0.00 34.50 33.56 1di0 s PRO 118 CO -0.23 -0.91 2.05 0.45 0.04 0.00 0.00 177.00 178.40 1di0 h HIS 119 N 0.56 0.16 0.00 0.56 3.86 -1.95 -3.36 115.15 114.97 1di0 h HIS 119 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1di0 h HIS 119 Cb 1.24 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1di0 h HIS 119 CO 0.56 0.09 0.00 1.58 0.86 0.00 0.00 177.93 181.02 1di0 n HIS 120 N -4.47 0.00 -1.85 2.45 -0.00 -1.26 -4.89 115.22 105.20 1di0 n HIS 120 Ca 0.04 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.93 1di0 n HIS 120 Cb 0.30 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.27 1di0 n HIS 120 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1di0 s PHE 121 N 0.00 2.81 -0.50 1.57 -0.71 -1.26 -5.07 117.98 114.82 1di0 s PHE 121 Ca 0.00 0.74 0.06 0.00 -1.04 0.00 0.00 56.93 56.70 1di0 s PHE 121 Cb 0.00 -3.52 0.19 0.00 -1.21 0.00 0.00 43.02 38.48 1di0 s PHE 121 CO 0.00 -1.91 0.66 -1.58 -1.34 0.00 0.00 175.22 171.05 1di0 s HIS 121 N -3.55 -1.15 0.00 3.49 2.46 -1.26 -5.06 115.29 110.21 1di0 s HIS 121 Ca 0.63 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 55.29 1di0 s HIS 121 Cb -0.11 0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 1di0 s HIS 121 CO 0.50 -1.20 0.00 -0.85 -2.47 0.00 0.00 174.74 170.72 1di0 n GLU 121 N 2.93 0.00 0.00 2.88 -0.00 -1.26 -4.92 120.64 120.28 1di0 n GLU 121 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1di0 n GLU 121 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 1di0 n GLU 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1di0 n SER 121 N 0.00 0.00 -0.21 -1.84 2.88 -1.26 -4.63 113.62 108.57 1di0 n SER 121 Ca 0.00 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.76 1di0 n SER 121 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 63.79 1di0 n SER 121 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1di0 n LYS 122 N 0.91 0.01 0.21 -1.46 0.00 -1.26 0.17 118.16 116.73 1di0 n LYS 122 Ca 0.00 0.67 -0.14 0.00 -0.00 0.00 0.00 58.31 58.84 1di0 n LYS 122 Cb 0.00 -1.64 -0.08 0.00 -0.00 0.00 0.00 35.03 33.31 1di0 n LYS 122 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1di0 h GLU 123 N 0.00 -0.74 0.19 -1.58 4.39 -1.98 -2.97 114.58 111.88 1di0 h GLU 123 Ca 0.38 0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.88 1di0 h GLU 123 Cb 2.03 0.17 0.03 0.00 -0.10 0.00 0.00 28.75 30.87 1di0 h GLU 123 CO -0.00 -0.50 -1.10 0.45 -1.16 0.00 0.00 179.01 176.70 1di0 h HIS 124 N -0.77 0.74 -0.99 4.33 3.86 0.14 -3.30 115.15 119.15 1di0 h HIS 124 Ca -0.04 -0.54 0.22 0.00 -1.16 0.00 0.00 60.37 58.86 1di0 h HIS 124 Cb 0.69 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.04 1di0 h HIS 124 CO -0.26 1.42 0.63 1.25 0.86 0.00 0.00 177.93 181.82 1di0 h HIS 125 N -0.15 0.77 0.00 2.45 2.76 -1.28 0.84 115.15 120.53 1di0 h HIS 125 Ca -0.19 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.86 1di0 h HIS 125 Cb 1.87 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 30.58 1di0 h HIS 125 CO 0.17 0.14 -0.67 -0.44 -1.30 0.00 0.00 177.93 175.83 1di0 h ASP 126 N 0.52 0.00 0.74 3.26 3.32 -1.66 -2.03 116.42 120.57 1di0 h ASP 126 Ca 0.56 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.57 1di0 h ASP 126 Cb 1.22 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.77 1di0 h ASP 126 CO -0.30 0.67 -0.36 0.15 -1.72 0.00 0.00 179.24 177.68 1di0 h PHE 127 N 0.00 -0.93 -0.26 4.55 3.57 0.45 -1.75 116.94 122.57 1di0 h PHE 127 Ca -0.01 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1di0 h PHE 127 Cb 1.48 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 1di0 h PHE 127 CO 0.00 -0.58 0.18 0.74 -2.23 0.00 0.00 178.31 176.42 1di0 h PHE 128 N -1.26 0.12 -0.13 0.41 0.05 -0.69 0.45 116.94 115.90 1di0 h PHE 128 Ca -0.10 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 61.54 1di0 h PHE 128 Cb 0.77 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.67 1di0 h PHE 128 CO 0.00 0.07 -0.58 0.45 -0.18 0.00 0.00 178.31 178.08 1di0 h HIS 129 N 0.13 0.51 0.41 -0.55 3.86 -1.27 -1.47 115.15 116.77 1di0 h HIS 129 Ca 0.12 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1di0 h HIS 129 Cb 0.31 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1di0 h HIS 129 CO -0.00 0.88 -0.20 0.00 0.86 0.00 0.00 177.93 179.48 1di0 h ALA 130 N 1.08 -0.55 -0.52 2.45 0.00 -0.23 -2.75 119.26 118.73 1di0 h ALA 130 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1di0 h ALA 130 Cb 1.10 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1di0 h ALA 130 CO 0.10 -0.64 -0.10 1.25 0.00 0.00 0.00 179.25 179.86 1di0 h HIS 131 N -0.89 -0.22 0.00 0.00 6.17 -0.91 0.18 115.15 119.47 1di0 h HIS 131 Ca -0.06 0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.04 1di0 h HIS 131 Cb 0.56 0.18 -0.00 0.00 2.52 0.00 0.00 27.41 30.66 1di0 h HIS 131 CO 0.02 -0.21 -0.13 0.74 0.71 0.00 0.00 177.93 179.06 1di0 h PHE 132 N 0.02 0.00 -0.48 5.26 -1.00 -1.31 0.27 116.94 119.70 1di0 h PHE 132 Ca 0.26 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.95 1di0 h PHE 132 Cb 0.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1di0 h PHE 132 CO -0.42 0.13 -0.04 -0.22 -1.61 0.00 0.00 178.31 176.15 1di0 h LYS 133 N 0.00 0.84 0.35 1.51 3.64 -0.36 -1.55 116.57 120.99 1di0 h LYS 133 Ca -0.00 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1di0 h LYS 133 Cb 0.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1di0 h LYS 133 CO 0.02 0.87 -0.17 0.28 -2.27 0.00 0.00 179.45 178.18 1di0 h VAL 134 N 0.77 0.61 -0.65 2.00 2.07 -0.24 -2.70 116.25 118.11 1di0 h VAL 134 Ca 0.14 -0.59 0.19 0.00 0.82 0.00 0.00 66.70 67.26 1di0 h VAL 134 Cb 0.53 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1di0 h VAL 134 CO 0.03 0.10 0.51 0.11 0.02 0.00 0.00 177.57 178.34 1di0 h LYS 135 N -0.82 0.00 -0.25 1.57 1.79 -1.12 0.26 116.57 118.00 1di0 h LYS 135 Ca -0.05 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 1di0 h LYS 135 Cb 0.53 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1di0 h LYS 135 CO 0.08 0.00 -0.29 0.78 -1.08 0.00 0.00 179.45 178.94 1di0 h GLY 136 N 0.00 0.54 0.45 3.86 0.00 -0.95 -0.74 103.07 106.22 1di0 h GLY 136 Ca 0.31 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1di0 h GLY 136 CO -0.00 0.42 -0.04 -2.08 0.00 0.00 0.00 176.54 174.84 1di0 h VAL 137 N 0.43 1.47 -0.67 4.60 2.07 -0.87 -2.51 116.25 120.77 1di0 h VAL 137 Ca 0.06 -1.43 0.12 0.00 0.82 0.00 0.00 66.70 66.26 1di0 h VAL 137 Cb 0.73 2.40 -0.08 0.00 -1.52 0.00 0.00 31.29 32.81 1di0 h VAL 137 CO 0.06 0.38 0.24 -0.33 0.02 0.00 0.00 177.57 177.94 1di0 h GLU 138 N -0.53 0.39 -1.00 1.57 5.08 -1.17 -0.90 114.58 118.02 1di0 h GLU 138 Ca -0.00 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1di0 h GLU 138 Cb 0.64 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1di0 h GLU 138 CO 0.01 0.26 0.64 0.00 -1.00 0.00 0.00 179.01 178.91 1di0 h ALA 139 N 1.48 1.40 -0.33 3.43 0.00 -1.04 0.65 119.26 124.86 1di0 h ALA 139 Ca 0.35 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1di0 h ALA 139 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1di0 h ALA 139 CO -0.36 0.39 -0.29 0.00 0.00 0.00 0.00 179.25 178.99 1di0 h ALA 140 N 1.47 0.88 -0.19 0.00 0.00 -0.74 0.30 119.26 120.97 1di0 h ALA 140 Ca 0.44 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1di0 h ALA 140 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1di0 h ALA 140 CO -0.19 0.63 0.04 0.45 0.00 0.00 0.00 179.25 180.18 1di0 h HIS 141 N 0.59 0.33 -0.20 0.00 -0.00 -0.45 -1.72 115.15 113.70 1di0 h HIS 141 Ca 0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1di0 h HIS 141 Cb 0.79 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 1di0 h HIS 141 CO 0.04 0.44 0.11 0.00 -0.00 0.00 0.00 177.93 178.52 1di0 h ALA 142 N 0.85 0.24 -0.65 2.45 0.00 -0.62 -0.95 119.26 120.59 1di0 h ALA 142 Ca 0.06 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1di0 h ALA 142 Cb 0.28 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1di0 h ALA 142 CO 0.00 -0.30 0.27 0.00 0.00 0.00 0.00 179.25 179.23 1di0 h ALA 143 N 1.09 0.87 -0.29 0.00 0.00 -0.27 0.18 119.26 120.83 1di0 h ALA 143 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1di0 h ALA 143 Cb -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1di0 h ALA 143 CO -0.04 -0.15 0.15 -0.07 0.00 0.00 0.00 179.25 179.15 1di0 h LEU 144 N 0.47 0.36 -0.27 0.00 3.38 -0.78 -2.15 115.31 116.32 1di0 h LEU 144 Ca 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1di0 h LEU 144 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1di0 h LEU 144 CO -0.30 0.35 0.04 -0.61 0.09 0.00 0.00 178.44 178.01 1di0 h GLN 145 N 0.34 0.44 -0.02 1.13 4.15 -0.58 -2.02 115.11 118.56 1di0 h GLN 145 Ca 0.10 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1di0 h GLN 145 Cb 0.07 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1di0 h GLN 145 CO -0.02 0.56 -0.45 0.97 -1.93 0.00 0.00 178.83 177.96 1di0 h ILE 146 N 0.25 1.33 -0.43 2.39 6.09 -0.52 -0.66 117.51 125.96 1di0 h ILE 146 Ca 0.08 -1.57 -0.14 0.00 -1.37 0.00 0.00 64.86 61.86 1di0 h ILE 146 Cb 0.34 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 1di0 h ILE 146 CO 0.01 0.45 -0.26 0.58 -3.07 0.00 0.00 178.15 175.85 1di0 h VAL 147 N 0.03 1.27 -0.09 2.19 2.07 -1.23 -1.45 116.25 119.04 1di0 h VAL 147 Ca -0.00 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1di0 h VAL 147 Cb 0.82 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1di0 h VAL 147 CO 0.06 0.48 0.02 -1.28 0.02 0.00 0.00 177.57 176.87 1di0 h SER 148 N 0.76 0.14 -0.65 0.57 0.87 -1.06 -2.19 113.55 112.00 1di0 h SER 148 Ca 0.09 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1di0 h SER 148 Cb 0.84 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1di0 h SER 148 CO 0.07 0.35 0.34 -0.08 -0.53 0.00 0.00 176.83 176.99 1di0 h GLU 149 N -0.07 0.93 -0.03 2.24 4.57 -1.02 -2.45 114.58 118.76 1di0 h GLU 149 Ca 0.03 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 57.97 1di0 h GLU 149 Cb 0.26 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1di0 h GLU 149 CO 0.00 0.70 -0.58 0.00 -1.18 0.00 0.00 179.01 177.96 1di0 h ARG 150 N 0.94 0.09 0.00 1.92 3.08 -1.06 -2.00 114.38 117.36 1di0 h ARG 150 Ca 0.23 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1di0 h ARG 150 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1di0 h ARG 150 CO -0.03 0.65 0.00 0.66 -1.07 0.00 0.00 179.97 180.17 1di0 h SER 151 N 0.07 0.00 0.00 7.04 4.64 -0.93 -2.91 113.55 121.47 1di0 h SER 151 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1di0 h SER 151 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1di0 h SER 151 CO 0.08 0.00 -0.02 0.03 -0.87 0.00 0.00 176.83 176.05 1di0 h ARG 152 N 0.00 0.00 0.00 4.77 3.08 -1.21 -3.34 114.38 117.68 1di0 h ARG 152 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1di0 h ARG 152 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1di0 h ARG 152 CO 0.00 0.00 0.69 1.51 -1.07 0.00 0.00 179.97 181.10 1di0 n ILE 153 N -3.57 0.00 -3.16 2.04 0.00 -0.79 -0.34 119.36 113.54 1di0 n ILE 153 Ca -0.00 0.69 -0.25 0.00 0.00 0.00 0.00 62.75 63.19 1di0 n ILE 153 Cb 0.01 -1.67 -0.05 0.00 0.00 0.00 0.00 39.64 37.93 1di0 n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1di0 n ALA 154 N -1.19 3.60 0.00 1.51 0.00 -1.10 -5.08 120.51 118.25 1di0 n ALA 154 Ca 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.20 1di0 n ALA 154 Cb 0.69 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1di0 n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50