#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml h LEU 2 N 0.00 -0.00 0.00 3.17 3.38 -2.07 -3.47 115.31 116.32 2rml h LEU 2 Ca 0.00 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2rml h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2rml h LEU 2 CO 0.00 0.69 0.00 -1.54 0.09 0.00 0.00 178.44 177.68 2rml n SER 3 N -4.76 -1.43 -0.35 -0.43 3.41 -1.26 -5.16 113.62 103.64 2rml n SER 3 Ca -0.09 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2rml n SER 3 Cb 0.34 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 2rml n SER 3 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2rml n GLU 4 N -2.97 0.00 -3.65 4.33 2.13 -1.26 -4.92 120.64 114.30 2rml n GLU 4 Ca 0.00 0.19 -0.23 0.00 0.66 0.00 0.00 57.16 57.78 2rml n GLU 4 Cb 0.00 -0.16 -0.02 0.00 0.27 0.00 0.00 31.44 31.54 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2rml s GLN 5 N -1.68 3.47 0.02 5.31 -0.21 -1.26 -4.37 119.66 120.93 2rml s GLN 5 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 55.36 54.82 2rml s GLN 5 Cb 0.00 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 2rml s GLN 5 CO 0.00 0.28 0.05 0.21 -2.12 0.00 0.00 175.29 173.71 2rml s LYS 6 N -4.14 0.45 0.65 2.91 2.47 -0.62 -5.00 119.74 116.46 2rml s LYS 6 Ca 0.37 -0.62 -0.12 0.00 -1.56 0.00 0.00 55.97 54.04 2rml s LYS 6 Cb -0.09 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.43 2rml s LYS 6 CO 0.33 -0.10 1.04 -1.83 0.16 0.00 0.00 175.35 174.95 2rml s GLU 7 N -1.87 3.27 0.01 4.03 -1.05 -1.26 -1.56 118.70 120.26 2rml s GLU 7 Ca -0.11 0.92 -0.11 0.00 -0.15 0.00 0.00 54.97 55.52 2rml s GLU 7 Cb -0.06 -2.03 0.01 0.00 -0.44 0.00 0.00 34.13 31.61 2rml s GLU 7 CO -0.02 -0.84 0.23 -1.50 0.95 0.00 0.00 175.26 174.09 2rml s ILE 8 N -2.98 0.08 0.13 1.83 2.07 -0.39 -4.92 121.20 117.03 2rml s ILE 8 Ca 0.58 -0.66 0.06 0.00 -1.41 0.00 0.00 60.65 59.22 2rml s ILE 8 Cb -0.13 -0.65 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 2rml s ILE 8 CO 0.50 -0.36 -0.13 0.00 -1.91 0.00 0.00 174.94 173.04 2rml s ALA 9 N -1.74 1.53 -0.03 1.50 0.00 -1.26 -0.40 121.76 121.36 2rml s ALA 9 Ca -0.11 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 2rml s ALA 9 Cb -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2rml s ALA 9 CO 0.01 0.06 0.25 -1.64 0.00 0.00 0.00 175.76 174.44 2rml s MET 10 N -2.96 0.52 0.10 0.00 -1.94 -0.11 -1.85 119.30 113.06 2rml s MET 10 Ca 0.11 -0.10 -0.31 0.00 -1.71 0.00 0.00 55.69 53.69 2rml s MET 10 Cb -0.03 0.23 -0.07 0.00 2.01 0.00 0.00 34.83 36.97 2rml s MET 10 CO 0.03 -0.13 1.24 -1.14 -0.01 0.00 0.00 175.02 175.01 2rml s GLN 11 N -0.96 4.42 -0.31 2.03 -0.44 -1.26 -0.45 119.66 122.69 2rml s GLN 11 Ca -0.10 1.86 0.03 0.00 -2.50 0.00 0.00 55.36 54.65 2rml s GLN 11 Cb -0.05 -3.30 0.09 0.00 -1.64 0.00 0.00 33.01 28.10 2rml s GLN 11 CO 0.02 -0.26 0.00 0.54 0.50 0.00 0.00 175.29 176.09 2rml s VAL 12 N 0.85 2.10 -0.02 1.34 0.11 0.45 -4.62 120.40 120.61 2rml s VAL 12 Ca 0.59 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 57.52 2rml s VAL 12 Cb -0.32 -2.44 -0.05 0.00 -1.53 0.00 0.00 36.38 32.04 2rml s VAL 12 CO 0.31 -0.41 0.32 -0.44 -3.33 0.00 0.00 175.10 171.55 2rml s SER 13 N 1.04 6.66 0.00 3.54 0.01 0.01 -4.53 113.70 120.44 2rml s SER 13 Ca 0.04 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2rml s SER 13 Cb -0.19 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2rml s SER 13 CO -0.08 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2rml n GLY 14 N 1.73 1.34 2.79 3.44 0.00 -1.26 -1.27 105.19 111.96 2rml n GLY 14 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2rml n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2rml n MET 15 N 0.00 3.95 -1.44 1.61 2.81 -1.26 -4.87 117.12 117.92 2rml n MET 15 Ca 0.00 -4.08 -0.38 0.00 -1.81 0.00 0.00 57.70 51.43 2rml n MET 15 Cb 0.00 -2.36 -0.03 0.00 -0.71 0.00 0.00 33.22 30.12 2rml n MET 15 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rml n THR 16 N -0.32 4.45 0.00 2.03 -1.04 -1.26 -4.63 114.28 113.50 2rml n THR 16 Ca 0.50 -2.89 0.00 0.00 -2.04 0.00 0.00 64.05 59.62 2rml n THR 16 Cb 0.26 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.30 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rml h ALA 18 N 0.00 1.14 0.00 0.00 0.00 -2.01 -1.23 119.26 117.15 2rml h ALA 18 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rml h ALA 18 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rml h ALA 18 CO 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 2rml h ALA 19 N 1.96 1.19 0.01 0.00 0.00 -1.95 -0.35 119.26 120.13 2rml h ALA 19 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 19 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 19 CO -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.29 2rml h ALA 21 N 0.16 1.00 -0.56 0.00 0.00 -1.55 -0.59 119.26 117.71 2rml h ALA 21 Ca -0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2rml h ALA 21 Cb 0.78 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2rml h ALA 21 CO 0.00 -0.23 0.37 0.00 0.00 0.00 0.00 179.25 179.39 2rml h ALA 22 N 1.54 1.80 -0.33 0.00 0.00 -1.13 -0.85 119.26 120.31 2rml h ALA 22 Ca 0.40 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 2rml h ALA 22 Cb 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2rml h ALA 22 CO -0.41 0.11 -0.32 0.00 0.00 0.00 0.00 179.25 178.63 2rml h ARG 23 N 0.57 0.71 0.01 0.00 2.47 -0.72 -3.13 114.38 114.29 2rml h ARG 23 Ca 0.24 -0.33 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2rml h ARG 23 Cb 0.22 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2rml h ARG 23 CO -0.07 0.93 -0.01 0.82 0.56 0.00 0.00 179.97 182.21 2rml h ILE 24 N 0.60 1.46 -0.45 2.04 5.03 -0.32 -0.95 117.51 124.91 2rml h ILE 24 Ca 0.07 -1.49 -0.07 0.00 -0.12 0.00 0.00 64.86 63.24 2rml h ILE 24 Cb 0.84 2.46 -0.02 0.00 -3.03 0.00 0.00 36.82 37.07 2rml h ILE 24 CO 0.07 0.38 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.59 2rml h GLU 25 N -0.67 0.80 -0.84 2.37 5.08 -1.52 -0.75 114.58 119.05 2rml h GLU 25 Ca -0.00 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2rml h GLU 25 Cb 0.64 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2rml h GLU 25 CO 0.00 0.87 0.55 -0.22 -1.00 0.00 0.00 179.01 179.21 2rml h LYS 26 N 0.65 1.08 0.15 2.33 3.64 -1.61 -0.85 116.57 121.95 2rml h LYS 26 Ca 0.13 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2rml h LYS 26 Cb 0.51 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2rml h LYS 26 CO 0.02 0.71 -0.07 0.78 -2.27 0.00 0.00 179.45 178.63 2rml h GLY 27 N 1.11 -0.20 1.79 5.01 0.00 -0.84 -3.10 103.07 106.84 2rml h GLY 27 Ca 0.32 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 2rml h GLY 27 CO -0.08 -0.07 -0.35 1.41 0.00 0.00 0.00 176.54 177.45 2rml h LEU 28 N -0.44 0.25 -2.15 3.11 3.38 -1.08 -2.38 115.31 115.99 2rml h LEU 28 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2rml h LEU 28 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2rml h LEU 28 CO 0.03 0.58 0.00 0.50 0.09 0.00 0.00 178.44 179.64 2rml h LYS 29 N 0.21 0.00 -3.59 1.13 3.64 -1.20 -3.28 116.57 113.48 2rml h LYS 29 Ca 0.03 0.00 -0.78 0.00 -1.27 0.00 0.00 60.65 58.63 2rml h LYS 29 Cb 0.71 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.31 2rml h LYS 29 CO 0.05 0.00 1.17 0.54 -2.27 0.00 0.00 179.45 178.95 2rml n ARG 30 N -2.99 3.82 -3.91 1.90 1.74 -0.90 -4.97 116.66 111.36 2rml n ARG 30 Ca -0.01 -4.11 -0.09 0.00 -0.77 0.00 0.00 57.85 52.87 2rml n ARG 30 Cb 0.17 -2.74 -0.07 0.00 -1.02 0.00 0.00 32.46 28.80 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2rml s MET 31 N -0.71 0.93 -0.00 5.56 -1.94 -1.24 -4.99 119.30 116.90 2rml s MET 31 Ca 0.36 -1.05 -0.20 0.00 -1.71 0.00 0.00 55.69 53.09 2rml s MET 31 Cb 0.01 0.34 -0.26 0.00 2.01 0.00 0.00 34.83 36.94 2rml s MET 31 CO 0.02 -0.31 1.04 -1.00 -0.01 0.00 0.00 175.02 174.77 2rml h PRO 32 N 2.71 0.40 -0.00 2.03 0.13 -1.92 -3.41 132.00 131.94 2rml h PRO 32 Ca -0.33 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2rml h PRO 32 Cb 1.21 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2rml h PRO 32 CO 0.54 1.17 -0.46 0.41 -0.23 0.00 0.00 178.00 179.44 2rml n GLY 33 N 1.26 -0.07 3.66 1.56 0.00 -1.26 -4.83 105.19 105.51 2rml n GLY 33 Ca -0.12 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2rml n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 34 N -1.92 4.34 -0.11 1.61 1.01 -1.26 -0.85 120.40 123.22 2rml s VAL 34 Ca 0.06 1.62 0.21 0.00 0.00 0.00 0.00 61.98 63.87 2rml s VAL 34 Cb 0.09 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 32.17 2rml s VAL 34 CO 0.42 -0.13 0.53 1.07 0.00 0.00 0.00 175.10 177.00 2rml n THR 35 N 5.27 0.51 -3.69 3.92 5.66 -0.17 -4.89 114.28 120.89 2rml n THR 35 Ca 0.13 -0.60 -0.15 0.00 -3.05 0.00 0.00 64.05 60.39 2rml n THR 35 Cb 0.45 -0.23 -0.08 0.00 -1.55 0.00 0.00 70.33 68.92 2rml n THR 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rml s ASP 36 N -4.99 -0.32 -0.01 1.09 2.15 -0.58 -4.98 116.67 109.03 2rml s ASP 36 Ca -0.07 0.27 0.01 0.00 0.43 0.00 0.00 52.55 53.19 2rml s ASP 36 Cb 0.11 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2rml s ASP 36 CO 0.86 -0.49 -0.04 0.00 -0.17 0.00 0.00 175.17 175.33 2rml s ALA 37 N -1.28 0.36 -0.15 3.66 0.00 -1.26 -1.13 121.76 121.95 2rml s ALA 37 Ca -0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 2rml s ALA 37 Cb -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.02 2rml s ALA 37 CO 0.06 0.06 0.33 0.54 0.00 0.00 0.00 175.76 176.75 2rml s ASN 38 N 0.07 -0.04 -0.16 0.00 2.20 -0.12 -4.93 114.94 111.97 2rml s ASN 38 Ca -0.00 0.76 -0.03 0.00 -0.94 0.00 0.00 52.86 52.64 2rml s ASN 38 Cb -0.04 0.89 -0.02 0.00 -2.00 0.00 0.00 41.25 40.08 2rml s ASN 38 CO -0.00 -0.22 -0.05 0.54 -2.94 0.00 0.00 177.10 174.43 2rml s VAL 39 N 2.21 3.74 -1.09 3.54 0.11 -1.26 -1.19 120.40 126.46 2rml s VAL 39 Ca -0.02 -0.41 -0.19 0.00 -2.93 0.00 0.00 61.98 58.43 2rml s VAL 39 Cb -0.11 -2.64 0.10 0.00 -1.53 0.00 0.00 36.38 32.20 2rml s VAL 39 CO -0.10 0.48 1.41 0.21 -3.33 0.00 0.00 175.10 173.77 2rml s ASN 40 N 0.53 6.72 0.29 3.54 3.84 -0.23 -4.86 114.94 124.78 2rml s ASN 40 Ca -0.04 -2.14 0.02 0.00 0.21 0.00 0.00 52.86 50.92 2rml s ASN 40 Cb -0.14 -2.49 0.58 0.00 -0.55 0.00 0.00 41.25 38.64 2rml s ASN 40 CO 0.03 -1.16 1.85 0.25 -2.79 0.00 0.00 177.10 175.28 2rml h LEU 41 N 11.45 0.90 -1.87 3.21 5.85 -1.95 -0.86 115.31 132.04 2rml h LEU 41 Ca 0.26 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2rml h LEU 41 Cb 0.96 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2rml h LEU 41 CO 1.31 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.90 2rml n ALA 42 N -2.37 2.35 0.05 1.25 0.00 -1.26 -3.86 120.51 116.66 2rml n ALA 42 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2rml n ALA 42 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2rml n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rml n THR 43 N 0.51 0.00 0.00 0.00 -1.04 -1.01 -5.06 114.28 107.67 2rml n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2rml n THR 43 Cb 0.40 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2rml n GLU 44 N -2.70 0.00 -3.63 -2.82 2.13 -0.36 -5.09 120.64 108.18 2rml n GLU 44 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2rml n GLU 44 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 45 N -2.00 5.34 -0.10 6.31 2.01 -1.20 -0.41 115.64 125.59 2rml s THR 45 Ca 0.00 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 2rml s THR 45 Cb 0.00 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2rml s THR 45 CO 0.00 0.30 0.27 -0.55 -0.69 0.00 0.00 174.62 173.95 2rml s SER 46 N 1.35 6.52 -0.02 3.53 0.15 0.40 -1.06 113.70 124.56 2rml s SER 46 Ca 0.08 0.62 0.06 0.00 0.70 0.00 0.00 55.95 57.40 2rml s SER 46 Cb -0.15 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2rml s SER 46 CO 0.07 0.28 -0.20 0.20 1.20 0.00 0.00 173.24 174.80 2rml s ASN 47 N -0.53 2.33 0.05 5.45 0.01 -0.33 -0.93 114.94 120.98 2rml s ASN 47 Ca 0.18 -0.36 -0.01 0.00 -0.71 0.00 0.00 52.86 51.95 2rml s ASN 47 Cb -0.14 -0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.18 2rml s ASN 47 CO 0.06 0.23 -0.02 0.68 -1.51 0.00 0.00 177.10 176.55 2rml s VAL 48 N -0.41 0.22 -0.05 1.60 -7.23 0.47 -0.94 120.40 114.06 2rml s VAL 48 Ca 0.06 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 2rml s VAL 48 Cb -0.08 -1.51 0.02 0.00 0.56 0.00 0.00 36.38 35.37 2rml s VAL 48 CO -0.00 -0.98 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.09 2rml s ILE 49 N -3.91 0.84 0.16 -0.62 1.09 -0.29 -1.26 121.20 117.21 2rml s ILE 49 Ca 0.07 -0.31 -0.06 0.00 -1.10 0.00 0.00 60.65 59.24 2rml s ILE 49 Cb 0.08 -0.79 -0.02 0.00 -1.06 0.00 0.00 42.46 40.67 2rml s ILE 49 CO -0.10 0.29 0.22 -0.72 -0.10 0.00 0.00 174.94 174.52 2rml s TYR 50 N 0.70 0.55 -0.52 3.97 -0.85 -0.60 -1.00 117.35 119.60 2rml s TYR 50 Ca -0.12 -0.91 -0.18 0.00 -0.52 0.00 0.00 57.07 55.33 2rml s TYR 50 Cb -0.14 -0.19 0.07 0.00 0.38 0.00 0.00 41.96 42.08 2rml s TYR 50 CO 0.02 -0.66 0.59 0.34 -1.52 0.00 0.00 175.55 174.32 2rml s ASP 51 N -3.00 6.20 -0.96 -0.18 2.15 -0.03 -1.58 116.67 119.27 2rml s ASP 51 Ca 0.20 -1.15 -0.24 0.00 0.43 0.00 0.00 52.55 51.79 2rml s ASP 51 Cb 0.05 -2.27 0.02 0.00 -0.30 0.00 0.00 42.92 40.42 2rml s ASP 51 CO 0.01 -0.90 1.56 -2.16 -0.17 0.00 0.00 175.17 173.52 2rml s PRO 52 N 2.41 3.29 0.00 4.34 0.04 -1.26 -2.78 135.00 141.04 2rml s PRO 52 Ca 0.12 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.34 2rml s PRO 52 Cb -0.22 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2rml s PRO 52 CO 0.09 -2.49 0.00 0.00 0.04 0.00 0.00 177.00 174.64 2rml n ALA 53 N 10.22 0.00 -0.11 8.56 0.00 -1.26 -4.97 120.51 132.95 2rml n ALA 53 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 2rml n ALA 53 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 2rml n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rml n GLU 54 N 0.00 0.55 -3.70 0.00 -0.58 -1.12 -4.85 120.64 110.95 2rml n GLU 54 Ca 0.00 0.47 -0.37 0.00 -0.42 0.00 0.00 57.16 56.84 2rml n GLU 54 Cb 0.00 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.15 2rml n GLU 54 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2rml s THR 55 N -2.41 5.31 0.27 2.62 2.01 -1.23 -4.56 115.64 117.65 2rml s THR 55 Ca -0.29 0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2rml s THR 55 Cb 0.07 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2rml s THR 55 CO 0.50 0.57 0.30 -0.83 -0.69 0.00 0.00 174.62 174.47 2rml s GLY 56 N -0.80 1.44 0.13 4.40 0.00 -1.26 -4.38 107.32 106.86 2rml s GLY 56 Ca 0.18 -1.41 -0.19 0.00 0.00 0.00 0.00 44.72 43.30 2rml s GLY 56 CO 0.07 -1.41 1.73 0.00 0.00 0.00 0.00 173.10 173.49 2rml h THR 57 N 1.27 0.86 0.00 0.90 1.03 -1.99 -1.94 112.91 113.05 2rml h THR 57 Ca -0.48 -0.04 -0.01 0.00 -0.01 0.00 0.00 66.41 65.86 2rml h THR 57 Cb 1.24 0.75 -0.00 0.00 -1.07 0.00 0.00 68.15 69.06 2rml h THR 57 CO 0.59 0.02 -0.07 0.00 -0.01 0.00 0.00 175.52 176.05 2rml h ALA 58 N 1.19 1.11 0.00 0.00 0.00 -1.97 -1.78 119.26 117.80 2rml h ALA 58 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2rml h ALA 58 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2rml h ALA 58 CO -0.17 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2rml h ALA 59 N 1.93 1.00 0.03 0.00 0.00 -1.76 -1.36 119.26 119.10 2rml h ALA 59 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 59 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2rml h ALA 59 CO 0.01 0.00 -0.02 0.82 0.00 0.00 0.00 179.25 180.06 2rml h ILE 60 N 0.00 1.27 -0.27 0.00 1.08 -1.38 -2.12 117.51 116.09 2rml h ILE 60 Ca 0.00 -0.98 -0.15 0.00 -0.39 0.00 0.00 64.86 63.33 2rml h ILE 60 Cb 0.38 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 2rml h ILE 60 CO 0.00 0.25 -0.45 0.06 -0.69 0.00 0.00 178.15 177.32 2rml h GLN 61 N -0.48 0.69 -0.64 2.37 3.07 -1.65 -2.99 115.11 115.49 2rml h GLN 61 Ca -0.00 -0.38 0.12 0.00 0.09 0.00 0.00 58.65 58.47 2rml h GLN 61 Cb 0.44 0.02 -0.09 0.00 0.08 0.00 0.00 27.48 27.94 2rml h GLN 61 CO 0.01 1.00 0.18 1.49 0.09 0.00 0.00 178.83 181.60 2rml h GLU 62 N 0.56 0.31 0.00 0.06 4.81 -1.32 0.18 114.58 119.18 2rml h GLU 62 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2rml h GLU 62 Cb 0.99 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2rml h GLU 62 CO 0.09 0.21 0.00 -0.22 -0.73 0.00 0.00 179.01 178.36 2rml h LYS 63 N 0.32 0.00 0.00 1.92 1.63 -1.23 -0.08 116.57 119.13 2rml h LYS 63 Ca 0.34 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.78 2rml h LYS 63 Cb 0.51 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.07 2rml h LYS 63 CO -0.40 0.00 -2.35 -0.89 -3.45 0.00 0.00 179.45 172.37 2rml n ILE 64 N -2.59 1.43 0.21 2.00 5.41 -0.50 -4.10 119.36 121.22 2rml n ILE 64 Ca -0.00 -0.81 0.12 0.00 1.00 0.00 0.00 62.75 63.06 2rml n ILE 64 Cb 0.16 -0.68 0.69 0.00 -0.71 0.00 0.00 39.64 39.10 2rml n ILE 64 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2rml h GLU 65 N 0.00 0.00 0.00 0.38 5.08 -0.17 -0.22 114.58 119.65 2rml h GLU 65 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2rml h GLU 65 Cb 2.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.42 2rml h GLU 65 CO 0.02 0.00 0.26 0.87 -1.00 0.00 0.00 179.01 179.16 2rml h LYS 66 N 0.00 0.00 -0.15 2.33 1.79 -1.18 0.65 116.57 120.01 2rml h LYS 66 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2rml h LYS 66 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2rml h LYS 66 CO -0.00 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.65 2rml n LEU 67 N -2.80 2.90 -0.01 2.94 7.99 -0.10 -5.00 117.00 122.93 2rml n LEU 67 Ca -0.02 -1.21 -0.00 0.00 -0.01 0.00 0.00 56.01 54.77 2rml n LEU 67 Cb 0.31 -0.09 -0.00 0.00 -0.11 0.00 0.00 43.42 43.53 2rml n LEU 67 CO 0.13 0.56 -0.00 0.61 -1.51 0.00 0.00 177.39 177.18 2rml n GLY 68 N 1.19 0.38 3.77 -0.72 0.00 0.22 -5.04 105.19 104.99 2rml n GLY 68 Ca 0.14 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2rml n GLY 68 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2rml s TYR 69 N -2.01 0.75 -0.37 1.61 1.13 -1.24 -5.03 117.35 112.19 2rml s TYR 69 Ca 0.00 0.29 -0.03 0.00 -1.41 0.00 0.00 57.07 55.93 2rml s TYR 69 Cb 0.00 -3.91 0.09 0.00 -1.10 0.00 0.00 41.96 37.03 2rml s TYR 69 CO 0.00 -3.42 0.13 -1.01 -2.51 0.00 0.00 175.55 168.74 2rml s HIS 70 N -3.53 3.48 0.00 -3.49 3.76 -0.39 -4.89 115.29 110.23 2rml s HIS 70 Ca 0.75 -2.20 0.25 0.00 -0.15 0.00 0.00 55.06 53.71 2rml s HIS 70 Cb -0.05 -2.83 0.83 0.00 1.11 0.00 0.00 32.58 31.65 2rml s HIS 70 CO 0.55 -0.90 1.78 -0.24 -0.85 0.00 0.00 174.74 175.08 2rml h VAL 71 N 6.38 0.38 -5.45 -0.90 3.04 -1.83 0.07 116.25 117.94 2rml h VAL 71 Ca -0.16 -1.10 -0.32 0.00 -1.01 0.00 0.00 66.70 64.12 2rml h VAL 71 Cb 1.05 1.82 0.16 0.00 -2.01 0.00 0.00 31.29 32.31 2rml h VAL 71 CO 0.64 0.17 -0.72 0.52 -1.01 0.00 0.00 177.57 177.17 2rml n VAL 72 N -3.26 -5.36 -3.78 1.51 0.31 -1.26 -4.64 118.33 101.85 2rml n VAL 72 Ca 0.01 -0.42 -0.21 0.00 -0.01 0.00 0.00 64.34 63.70 2rml n VAL 72 Cb 0.45 -4.75 -0.04 0.00 -0.91 0.00 0.00 33.84 28.59 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2rml s THR 73 N -3.34 3.13 0.04 2.52 -4.23 -1.26 -4.19 115.64 108.32 2rml s THR 73 Ca 0.06 -1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2rml s THR 73 Cb -0.03 -3.09 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 2rml s THR 73 CO 0.69 -0.11 0.04 -0.70 -0.54 0.00 0.00 174.62 174.00 2rml s GLU 74 N -4.01 0.54 -0.40 3.99 2.12 -0.47 -4.97 118.70 115.50 2rml s GLU 74 Ca 0.43 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.73 2rml s GLU 74 Cb -0.04 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.56 2rml s GLU 74 CO 0.26 -0.12 0.54 -1.59 -0.54 0.00 0.00 175.26 173.81 2rml s LYS 75 N -2.71 3.39 0.03 4.30 -2.85 -1.26 -1.64 119.74 119.00 2rml s LYS 75 Ca -0.04 -0.37 0.04 0.00 -1.00 0.00 0.00 55.97 54.60 2rml s LYS 75 Cb -0.01 -3.89 -0.04 0.00 -2.06 0.00 0.00 37.83 31.84 2rml s LYS 75 CO -0.05 -0.81 -0.06 0.00 0.10 0.00 0.00 175.35 174.52 2rml s ALA 76 N 2.47 3.05 -0.18 0.59 0.00 -0.01 -4.92 121.76 122.76 2rml s ALA 76 Ca 0.18 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2rml s ALA 76 Cb -0.15 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 2rml s ALA 76 CO 0.15 0.63 0.13 -1.21 0.00 0.00 0.00 175.76 175.46 2rml s GLU 77 N -1.69 4.00 0.23 0.00 2.02 -1.26 -0.37 118.70 121.63 2rml s GLU 77 Ca 0.19 -0.21 0.11 0.00 0.02 0.00 0.00 54.97 55.08 2rml s GLU 77 Cb -0.11 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.72 2rml s GLU 77 CO 0.10 0.40 -0.17 -0.06 0.02 0.00 0.00 175.26 175.56 2rml s PHE 78 N 0.05 2.42 -0.04 1.61 0.40 -0.57 -3.17 117.98 118.67 2rml s PHE 78 Ca 0.09 -0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 2rml s PHE 78 Cb -0.11 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 2rml s PHE 78 CO -0.01 0.59 -0.08 0.34 0.70 0.00 0.00 175.22 176.76 2rml s ASP 79 N -3.09 4.52 -0.54 1.36 -1.08 -0.40 -0.68 116.67 116.77 2rml s ASP 79 Ca 0.26 -0.09 -0.17 0.00 -0.52 0.00 0.00 52.55 52.03 2rml s ASP 79 Cb -0.07 -1.08 0.11 0.00 -1.46 0.00 0.00 42.92 40.42 2rml s ASP 79 CO 0.14 0.33 0.53 -0.63 0.52 0.00 0.00 175.17 176.06 2rml s ILE 80 N -0.85 5.12 -1.35 4.11 -1.09 0.21 -1.30 121.20 126.05 2rml s ILE 80 Ca 0.14 -1.27 -0.12 0.00 -2.23 0.00 0.00 60.65 57.17 2rml s ILE 80 Cb -0.11 -4.33 0.11 0.00 -1.58 0.00 0.00 42.46 36.55 2rml s ILE 80 CO 0.03 -0.87 2.00 -0.62 -1.23 0.00 0.00 174.94 174.26 2rml n GLU 81 N 5.51 3.29 0.00 2.79 -0.58 -1.23 -4.04 120.64 126.38 2rml n GLU 81 Ca -0.12 -3.16 0.00 0.00 -0.42 0.00 0.00 57.16 53.46 2rml n GLU 81 Cb 0.41 -3.09 0.00 0.00 -0.57 0.00 0.00 31.44 28.19 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rml n GLY 82 N 3.44 0.52 3.11 0.62 0.00 -1.26 -4.09 105.19 107.53 2rml n GLY 82 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.35 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 0.33 0.00 1.61 0.23 -1.26 -4.99 119.30 115.22 2rml s MET 83 Ca 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 55.69 54.78 2rml s MET 83 Cb 0.00 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.45 2rml s MET 83 CO 0.00 -0.06 0.00 0.25 -2.03 0.00 0.00 175.02 173.18 2rml n THR 84 N 2.53 0.00 -4.40 3.16 -2.24 -1.26 -4.95 114.28 107.12 2rml n THR 84 Ca -0.15 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 2rml n THR 84 Cb 0.58 0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 2rml n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml h ALA 86 N 4.52 -0.33 0.00 0.00 0.00 -2.00 0.07 119.26 121.53 2rml h ALA 86 Ca -0.43 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2rml h ALA 86 Cb 1.17 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.96 2rml h ALA 86 CO 0.42 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.84 2rml n ALA 87 N -3.18 1.13 0.16 0.00 0.00 -1.26 -1.89 120.51 115.48 2rml n ALA 87 Ca 0.02 0.19 0.01 0.00 0.00 0.00 0.00 53.44 53.66 2rml n ALA 87 Cb 0.35 -1.33 0.27 0.00 0.00 0.00 0.00 19.45 18.73 2rml n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 89 N 1.51 -0.50 -0.55 0.00 0.00 -1.50 -3.29 119.26 114.92 2rml h ALA 89 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2rml h ALA 89 Cb 0.89 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2rml h ALA 89 CO 0.06 -0.69 0.37 -0.91 0.00 0.00 0.00 179.25 178.08 2rml h ASN 90 N -0.69 0.42 -0.93 0.00 4.21 -1.53 0.97 115.58 118.03 2rml h ASN 90 Ca -0.05 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.58 2rml h ASN 90 Cb 0.49 -0.09 -0.07 0.00 -1.12 0.00 0.00 38.32 37.53 2rml h ASN 90 CO 0.08 0.27 0.59 0.03 -1.29 0.00 0.00 177.43 177.12 2rml h ARG 91 N 0.48 0.83 0.03 0.81 3.08 -1.20 -2.56 114.38 115.85 2rml h ARG 91 Ca 0.24 -0.05 -0.32 0.00 0.07 0.00 0.00 59.98 59.92 2rml h ARG 91 Cb 0.33 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2rml h ARG 91 CO -0.07 0.55 -1.88 0.44 -1.07 0.00 0.00 179.97 177.95 2rml n ILE 92 N -4.57 1.63 -0.20 2.04 -5.35 -0.62 -4.52 119.36 107.77 2rml n ILE 92 Ca 0.17 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 2rml n ILE 92 Cb 0.38 -1.17 0.11 0.00 -1.74 0.00 0.00 39.64 37.22 2rml n ILE 92 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2rml h GLU 93 N 0.02 0.33 -0.31 6.28 4.81 -0.50 0.23 114.58 125.44 2rml h GLU 93 Ca -0.36 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2rml h GLU 93 Cb 2.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.33 2rml h GLU 93 CO 0.07 0.22 0.27 -0.22 -0.73 0.00 0.00 179.01 178.62 2rml h LYS 94 N 0.34 0.00 0.00 1.92 3.64 -1.70 0.19 116.57 120.96 2rml h LYS 94 Ca 0.31 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2rml h LYS 94 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2rml h LYS 94 CO -0.35 0.00 -0.40 -0.09 -2.27 0.00 0.00 179.45 176.34 2rml h ARG 95 N 0.00 0.00 -0.54 1.90 1.12 -1.39 -3.41 114.38 112.06 2rml h ARG 95 Ca 0.15 0.00 0.10 0.00 -1.11 0.00 0.00 59.98 59.11 2rml h ARG 95 Cb 0.69 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 30.57 2rml h ARG 95 CO -0.00 0.48 0.10 -0.07 -3.11 0.00 0.00 179.97 177.37 2rml h LEU 96 N -1.00 -0.02 -0.93 3.80 -0.00 -0.32 -2.33 115.31 114.51 2rml h LEU 96 Ca -0.08 0.10 0.25 0.00 -0.00 0.00 0.00 57.88 58.15 2rml h LEU 96 Cb 0.67 0.14 -0.13 0.00 -0.00 0.00 0.00 40.66 41.34 2rml h LEU 96 CO -0.05 0.01 0.42 -1.13 -0.00 0.00 0.00 178.44 177.70 2rml h ASN 97 N 0.24 0.34 -1.79 -0.43 -0.73 -0.89 -3.27 115.58 109.05 2rml h ASN 97 Ca 0.27 0.17 -0.40 0.00 1.87 0.00 0.00 56.30 58.22 2rml h ASN 97 Cb 0.39 0.15 -0.29 0.00 0.27 0.00 0.00 38.32 38.84 2rml h ASN 97 CO -0.36 -0.06 -0.76 -0.54 -0.37 0.00 0.00 177.43 175.34 2rml s LYS 98 N -5.83 0.95 0.00 6.67 1.02 -1.12 -4.37 119.74 117.05 2rml s LYS 98 Ca -0.11 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.29 2rml s LYS 98 Cb 0.27 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.76 2rml s LYS 98 CO 0.78 -1.35 0.00 -0.89 -0.92 0.00 0.00 175.35 172.97 2rml n ILE 99 N 3.02 0.00 -3.60 2.17 5.41 -0.89 -4.90 119.36 120.56 2rml n ILE 99 Ca 0.24 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.93 2rml n ILE 99 Cb 0.51 -0.32 -0.07 0.00 -0.71 0.00 0.00 39.64 39.05 2rml n ILE 99 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2rml s GLU 100 N 0.00 0.42 0.00 0.38 2.12 -1.26 -4.84 118.70 115.52 2rml s GLU 100 Ca 0.00 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.45 2rml s GLU 100 Cb 0.00 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.83 2rml s GLU 100 CO 0.00 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 2rml n GLY 101 N 5.41 3.03 3.73 -1.50 0.00 -0.77 -4.69 105.19 110.40 2rml n GLY 101 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2rml n GLY 101 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rml s VAL 102 N -1.93 2.80 -0.12 1.61 -7.23 -1.26 -2.07 120.40 112.19 2rml s VAL 102 Ca 0.00 0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2rml s VAL 102 Cb 0.00 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.47 2rml s VAL 102 CO 0.00 0.08 -0.13 0.00 -0.31 0.00 0.00 175.10 174.74 2rml n ALA 103 N 2.94 1.97 -2.69 1.32 0.00 0.38 -4.51 120.51 119.92 2rml n ALA 103 Ca 0.09 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 2rml n ALA 103 Cb 0.40 0.29 -0.13 0.00 0.00 0.00 0.00 19.45 20.01 2rml n ALA 103 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2rml s ASN 104 N -5.63 1.42 -0.42 0.00 0.01 -0.71 -4.70 114.94 104.92 2rml s ASN 104 Ca -0.17 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 51.65 2rml s ASN 104 Cb 0.05 -0.09 0.28 0.00 0.41 0.00 0.00 41.25 41.91 2rml s ASN 104 CO 0.24 0.01 0.77 0.00 -1.51 0.00 0.00 177.10 176.61 2rml n ALA 105 N 2.00 0.79 -2.04 0.60 0.00 -1.26 -0.53 120.51 120.08 2rml n ALA 105 Ca -0.18 -2.55 -0.27 0.00 0.00 0.00 0.00 53.44 50.44 2rml n ALA 105 Cb 0.55 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.92 2rml n ALA 105 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rml s PRO 106 N -0.73 2.54 0.31 0.00 0.04 -1.17 -4.66 135.00 131.32 2rml s PRO 106 Ca 0.33 -0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 2rml s PRO 106 Cb 0.25 -5.03 -0.12 0.00 0.04 0.00 0.00 34.50 29.63 2rml s PRO 106 CO -0.13 -3.38 1.50 0.28 0.04 0.00 0.00 177.00 175.31 2rml n VAL 107 N 7.87 1.33 -2.86 -0.36 0.31 -1.26 -3.70 118.33 119.66 2rml n VAL 107 Ca 0.40 -0.33 -0.32 0.00 -0.01 0.00 0.00 64.34 64.07 2rml n VAL 107 Cb 0.47 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 2rml n VAL 107 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2rml s ASN 108 N 0.23 6.72 0.00 4.52 -0.87 0.17 -4.98 114.94 120.73 2rml s ASN 108 Ca 0.61 1.39 0.00 0.00 -1.57 0.00 0.00 52.86 53.29 2rml s ASN 108 Cb -0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 41.25 38.28 2rml s ASN 108 CO 0.54 -0.36 0.00 0.33 -2.57 0.00 0.00 177.10 175.04 2rml n PHE 109 N -0.89 0.00 0.11 2.20 7.35 -1.26 -4.25 117.46 120.73 2rml n PHE 109 Ca 0.05 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.72 2rml n PHE 109 Cb 0.54 -0.07 -0.00 0.00 0.35 0.00 0.00 39.48 40.29 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rml h ALA 110 N -2.00 0.58 0.00 3.13 0.00 -1.96 -2.23 119.26 116.78 2rml h ALA 110 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2rml h ALA 110 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2rml h ALA 110 CO 0.00 0.90 0.00 -0.07 0.00 0.00 0.00 179.25 180.08 2rml h LEU 111 N 0.00 0.00 0.15 0.00 -0.00 -2.01 -3.47 115.31 109.97 2rml h LEU 111 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.81 2rml h LEU 111 Cb 1.50 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.13 2rml h LEU 111 CO 0.09 0.00 -0.06 -0.62 -0.00 0.00 0.00 178.44 177.86 2rml n GLU 112 N -2.49 -1.52 -2.73 1.13 1.02 -0.84 -4.95 120.64 110.26 2rml n GLU 112 Ca 0.03 0.53 -0.21 0.00 -0.02 0.00 0.00 57.16 57.49 2rml n GLU 112 Cb 0.36 -4.73 0.05 0.00 -0.02 0.00 0.00 31.44 27.10 2rml n GLU 112 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rml s THR 113 N -1.46 2.57 -0.03 2.62 -4.23 -1.26 -0.62 115.64 113.24 2rml s THR 113 Ca 0.00 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2rml s THR 113 Cb 0.00 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2rml s THR 113 CO 0.00 0.00 0.03 0.54 -0.54 0.00 0.00 174.62 174.65 2rml s VAL 114 N -2.75 -0.00 -0.24 2.29 0.11 0.14 -0.65 120.40 119.30 2rml s VAL 114 Ca 0.59 0.22 -0.23 0.00 -2.93 0.00 0.00 61.98 59.63 2rml s VAL 114 Cb -0.09 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 2rml s VAL 114 CO 0.39 0.12 0.76 -0.89 -3.33 0.00 0.00 175.10 172.15 2rml s THR 115 N 1.28 4.89 -0.18 5.04 2.01 -1.24 -1.52 115.64 125.91 2rml s THR 115 Ca -0.06 1.43 -0.01 0.00 0.31 0.00 0.00 61.69 63.36 2rml s THR 115 Cb -0.13 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2rml s THR 115 CO -0.03 -0.03 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.06 2rml s VAL 116 N 2.63 2.74 -0.27 3.82 1.01 0.50 -3.03 120.40 127.79 2rml s VAL 116 Ca 0.32 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2rml s VAL 116 Cb -0.15 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2rml s VAL 116 CO 0.08 0.49 0.14 -0.70 0.00 0.00 0.00 175.10 175.11 2rml s GLU 117 N 1.15 3.74 0.11 2.72 -6.30 0.31 -0.83 118.70 119.60 2rml s GLU 117 Ca 0.01 -0.44 -0.25 0.00 -2.50 0.00 0.00 54.97 51.79 2rml s GLU 117 Cb -0.14 -3.52 0.08 0.00 0.00 0.00 0.00 34.13 30.55 2rml s GLU 117 CO -0.05 -0.22 0.65 1.52 0.02 0.00 0.00 175.26 177.19 2rml s TYR 118 N 1.68 -0.53 -0.35 5.30 1.13 -0.65 -0.47 117.35 123.46 2rml s TYR 118 Ca 0.06 0.41 -0.13 0.00 -1.41 0.00 0.00 57.07 56.00 2rml s TYR 118 Cb -0.16 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 2rml s TYR 118 CO 0.07 -0.77 0.25 0.54 -2.51 0.00 0.00 175.55 173.13 2rml s ASN 119 N -2.51 6.05 0.00 -0.18 2.20 -0.88 -1.37 114.94 118.25 2rml s ASN 119 Ca 0.00 -0.52 0.15 0.00 -0.94 0.00 0.00 52.86 51.55 2rml s ASN 119 Cb -0.01 -2.14 0.78 0.00 -2.00 0.00 0.00 41.25 37.88 2rml s ASN 119 CO -0.10 -0.28 1.37 -0.81 -2.94 0.00 0.00 177.10 174.35 2rml n PRO 120 N 5.11 0.28 -0.17 3.55 -0.04 -1.26 -1.76 135.00 140.71 2rml n PRO 120 Ca -0.12 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2rml n PRO 120 Cb 0.49 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 2rml n PRO 120 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2rml h LYS 121 N 0.00 0.38 0.00 0.54 1.79 -1.94 -3.31 116.57 114.03 2rml h LYS 121 Ca 0.00 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.28 2rml h LYS 121 Cb 0.10 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 2rml h LYS 121 CO 0.00 0.25 -0.78 0.93 -1.08 0.00 0.00 179.45 178.77 2rml h GLU 122 N 0.39 0.00 -2.23 3.15 4.39 -1.72 -3.48 114.58 115.09 2rml h GLU 122 Ca 0.25 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.99 2rml h GLU 122 Cb 0.26 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.74 2rml h GLU 122 CO -0.24 0.77 0.38 0.00 -1.16 0.00 0.00 179.01 178.76 2rml s ALA 123 N -2.82 -1.79 0.00 3.43 0.00 -1.25 -4.94 121.76 114.39 2rml s ALA 123 Ca 0.02 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2rml s ALA 123 Cb 0.09 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2rml s ALA 123 CO 0.79 -0.56 0.00 0.45 0.00 0.00 0.00 175.76 176.44 2rml n SER 124 N 0.18 0.00 -0.33 0.00 2.88 -1.26 -4.43 113.62 110.65 2rml n SER 124 Ca -0.13 -0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.33 2rml n SER 124 Cb 0.61 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.40 2rml n SER 124 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2rml h VAL 125 N 0.20 0.77 -0.26 2.46 2.07 -1.99 -1.00 116.25 118.50 2rml h VAL 125 Ca 0.00 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 2rml h VAL 125 Cb 0.00 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.71 2rml h VAL 125 CO 0.00 0.14 -0.38 0.28 0.02 0.00 0.00 177.57 177.63 2rml h SER 126 N 0.76 0.78 -0.27 0.57 0.02 -1.98 -0.84 113.55 112.59 2rml h SER 126 Ca 0.53 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2rml h SER 126 Cb 0.82 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2rml h SER 126 CO -0.30 1.14 0.03 0.44 -1.14 0.00 0.00 176.83 177.01 2rml h ASP 127 N 0.44 0.44 -0.56 3.07 5.19 -1.76 -1.35 116.42 121.88 2rml h ASP 127 Ca 0.02 -0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.08 2rml h ASP 127 Cb 0.97 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 2rml h ASP 127 CO 0.09 0.60 0.03 -0.07 -3.12 0.00 0.00 179.24 176.77 2rml h LEU 128 N 0.26 0.95 0.12 1.55 3.38 -1.26 -1.25 115.31 119.07 2rml h LEU 128 Ca 0.08 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2rml h LEU 128 Cb 0.35 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2rml h LEU 128 CO 0.01 1.01 -0.49 0.11 0.09 0.00 0.00 178.44 179.16 2rml h LYS 129 N 0.86 -0.70 -0.81 1.13 1.79 -1.07 -2.11 116.57 115.66 2rml h LYS 129 Ca 0.16 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.81 2rml h LYS 129 Cb 0.50 0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 31.26 2rml h LYS 129 CO 0.02 -0.47 0.53 0.93 -1.08 0.00 0.00 179.45 179.38 2rml h GLU 130 N -0.73 0.60 0.00 3.15 5.08 -0.89 0.24 114.58 122.03 2rml h GLU 130 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2rml h GLU 130 Cb 0.74 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2rml h GLU 130 CO -0.27 0.39 -0.09 0.00 -1.00 0.00 0.00 179.01 178.04 2rml h ALA 131 N 1.62 1.06 0.00 3.43 0.00 -0.97 -3.13 119.26 121.26 2rml h ALA 131 Ca 0.39 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2rml h ALA 131 Cb 0.66 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2rml h ALA 131 CO -0.15 0.12 -2.02 0.28 0.00 0.00 0.00 179.25 177.48 2rml n VAL 132 N -3.29 0.27 -0.07 0.00 0.31 0.00 -4.61 118.33 110.95 2rml n VAL 132 Ca -0.00 -0.54 0.01 0.00 -0.01 0.00 0.00 64.34 63.80 2rml n VAL 132 Cb 0.32 -0.08 0.32 0.00 -0.91 0.00 0.00 33.84 33.49 2rml n VAL 132 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2rml h ASP 133 N 0.00 0.61 0.07 4.52 1.82 -0.56 -0.03 116.42 122.85 2rml h ASP 133 Ca -0.11 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 2rml h ASP 133 Cb 1.20 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 41.05 2rml h ASP 133 CO 0.01 0.51 -0.08 0.50 -1.61 0.00 0.00 179.24 178.57 2rml h LYS 134 N 0.68 0.02 -0.00 0.28 1.63 -1.82 -1.94 116.57 115.43 2rml h LYS 134 Ca 0.17 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2rml h LYS 134 Cb 0.06 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2rml h LYS 134 CO -0.02 0.10 -0.27 1.28 -3.45 0.00 0.00 179.45 177.09 2rml n LEU 135 N -4.43 0.36 0.00 5.20 7.99 -0.07 -4.98 117.00 121.06 2rml n LEU 135 Ca -0.03 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2rml n LEU 135 Cb 0.16 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 2rml n LEU 135 CO 0.35 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 2rml n GLY 136 N 1.46 1.03 3.94 -0.72 0.00 -0.73 -5.04 105.19 105.13 2rml n GLY 136 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2rml n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 137 N -2.58 1.58 0.32 1.61 2.02 -1.25 -5.02 117.35 114.03 2rml s TYR 137 Ca 0.00 0.19 0.06 0.00 -0.37 0.00 0.00 57.07 56.95 2rml s TYR 137 Cb 0.00 -3.89 -0.06 0.00 -0.40 0.00 0.00 41.96 37.60 2rml s TYR 137 CO 0.00 -2.46 -0.01 -1.59 -1.57 0.00 0.00 175.55 169.92 2rml s LYS 138 N -5.74 1.67 -0.14 -0.62 0.00 -1.26 -4.51 119.74 109.15 2rml s LYS 138 Ca 0.72 -1.89 0.02 0.00 0.00 0.00 0.00 55.97 54.82 2rml s LYS 138 Cb -0.04 -1.17 0.00 0.00 0.00 0.00 0.00 37.83 36.62 2rml s LYS 138 CO 0.51 -0.05 -0.19 -0.51 0.00 0.00 0.00 175.35 175.12 2rml s LEU 139 N -3.51 2.31 0.43 2.77 2.01 -1.26 -3.47 118.68 117.96 2rml s LEU 139 Ca 0.33 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 53.98 2rml s LEU 139 Cb 0.06 -1.50 0.00 0.00 0.01 0.00 0.00 46.19 44.76 2rml s LEU 139 CO 0.14 0.10 0.62 -0.54 1.01 0.00 0.00 176.35 177.69 2rml s LYS 140 N 0.69 2.97 -0.01 1.70 1.02 -0.42 -4.97 119.74 120.72 2rml s LYS 140 Ca -0.09 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.17 2rml s LYS 140 Cb -0.16 -2.64 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 2rml s LYS 140 CO 0.01 -0.25 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.59 2rml s LEU 141 N -4.46 2.02 -0.99 3.17 1.43 -1.26 -1.27 118.68 117.32 2rml s LEU 141 Ca 0.49 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2rml s LEU 141 Cb -0.10 -0.47 0.32 0.00 0.03 0.00 0.00 46.19 45.97 2rml s LEU 141 CO 0.36 0.11 1.74 1.17 0.23 0.00 0.00 176.35 179.96 2rml n LYS 142 N 2.84 5.24 0.00 1.70 4.81 -1.19 -2.13 118.16 129.43 2rml n LYS 142 Ca -0.13 -4.69 0.00 0.00 -0.87 0.00 0.00 58.31 52.62 2rml n LYS 142 Cb 0.57 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.17 2rml n LYS 142 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rml n GLY 143 N -0.08 3.55 2.08 3.14 0.00 -1.22 -4.83 105.19 107.84 2rml n GLY 143 Ca 0.45 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2rml n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rml n GLU 144 N 0.00 2.12 0.00 1.61 -0.58 -1.26 -4.57 120.64 117.97 2rml n GLU 144 Ca 0.00 -1.23 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 2rml n GLU 144 Cb 0.00 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2rml n GLN 145 N 2.31 0.00 0.00 3.49 6.02 -1.24 -4.52 117.38 123.44 2rml n GLN 145 Ca 0.45 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.57 2rml n GLN 145 Cb 0.84 0.00 0.37 0.00 1.02 0.00 0.00 30.24 32.47 2rml n GLN 145 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2rml n ASP 146 N 0.00 0.72 0.00 1.08 2.03 -0.91 -5.03 116.55 114.44 2rml n ASP 146 Ca 0.00 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.76 2rml n ASP 146 Cb 0.00 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2rml n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04