#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 0.00 0.00 -0.89 7.99 -1.26 -5.09 117.00 117.76 2rml n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2rml n LEU 2 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2rml n LEU 2 CO 0.00 0.00 0.00 -1.20 -1.51 0.00 0.00 177.39 174.68 2rml n SER 3 N 0.00 0.00 -4.48 -1.43 7.64 -1.26 -5.13 113.62 108.97 2rml n SER 3 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2rml n SER 3 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2rml n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2rml s GLU 4 N -0.73 1.66 0.06 1.43 -1.05 -1.26 -5.18 118.70 113.64 2rml s GLU 4 Ca 0.00 -1.87 0.05 0.00 -0.15 0.00 0.00 54.97 53.00 2rml s GLU 4 Cb 0.00 -1.30 -0.03 0.00 -0.44 0.00 0.00 34.13 32.36 2rml s GLU 4 CO 0.00 0.03 -0.13 -0.65 0.95 0.00 0.00 175.26 175.46 2rml s GLN 5 N -3.72 0.79 0.30 -4.83 -0.21 -1.26 -4.86 119.66 105.88 2rml s GLN 5 Ca 0.31 -0.91 0.09 0.00 0.02 0.00 0.00 55.36 54.87 2rml s GLN 5 Cb 0.05 -0.77 -0.04 0.00 1.00 0.00 0.00 33.01 33.25 2rml s GLN 5 CO 0.14 0.17 0.08 0.15 -2.12 0.00 0.00 175.29 173.71 2rml s LYS 6 N -1.67 2.38 0.31 2.91 3.01 0.23 -4.81 119.74 122.11 2rml s LYS 6 Ca -0.03 -1.46 0.09 0.00 -1.01 0.00 0.00 55.97 53.56 2rml s LYS 6 Cb -0.10 -2.19 -0.05 0.00 -1.01 0.00 0.00 37.83 34.48 2rml s LYS 6 CO 0.02 0.24 0.04 -1.83 0.51 0.00 0.00 175.35 174.34 2rml s GLU 7 N -3.77 2.25 -0.10 1.68 1.03 -1.26 -0.78 118.70 117.74 2rml s GLU 7 Ca 0.35 -1.56 -0.30 0.00 0.03 0.00 0.00 54.97 53.49 2rml s GLU 7 Cb -0.04 -2.09 0.08 0.00 -0.80 0.00 0.00 34.13 31.27 2rml s GLU 7 CO 0.22 0.22 0.75 -1.50 -1.33 0.00 0.00 175.26 173.61 2rml s ILE 8 N -2.42 0.00 0.03 1.83 2.07 -0.49 -4.98 121.20 117.24 2rml s ILE 8 Ca 0.34 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.63 2rml s ILE 8 Cb -0.03 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 2rml s ILE 8 CO 0.21 0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 173.11 2rml s ALA 9 N -0.93 1.02 0.27 1.50 0.00 -1.26 -0.93 121.76 121.43 2rml s ALA 9 Ca -0.08 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 2rml s ALA 9 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2rml s ALA 9 CO 0.07 0.18 0.37 -1.64 0.00 0.00 0.00 175.76 174.75 2rml s MET 10 N -1.04 1.58 0.05 0.00 -1.94 0.19 -3.75 119.30 114.39 2rml s MET 10 Ca 0.00 -1.55 0.08 0.00 -1.71 0.00 0.00 55.69 52.52 2rml s MET 10 Cb -0.07 0.40 -0.03 0.00 2.01 0.00 0.00 34.83 37.14 2rml s MET 10 CO 0.01 -0.62 -0.23 -0.65 -0.01 0.00 0.00 175.02 173.52 2rml s GLN 11 N -3.73 1.53 -0.02 2.03 1.11 -1.26 -1.15 119.66 118.16 2rml s GLN 11 Ca 0.30 -1.03 -0.01 0.00 0.01 0.00 0.00 55.36 54.63 2rml s GLN 11 Cb 0.02 -1.69 0.01 0.00 -1.01 0.00 0.00 33.01 30.34 2rml s GLN 11 CO 0.14 0.43 0.05 0.54 0.01 0.00 0.00 175.29 176.46 2rml s VAL 12 N -0.83 -0.02 0.18 1.09 0.11 -0.60 -1.89 120.40 118.44 2rml s VAL 12 Ca 0.09 0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 2rml s VAL 12 Cb -0.09 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2rml s VAL 12 CO 0.02 0.03 0.32 -0.55 -3.33 0.00 0.00 175.10 171.60 2rml s SER 13 N 0.43 6.34 0.00 3.54 0.15 0.63 -4.29 113.70 120.50 2rml s SER 13 Ca -0.03 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2rml s SER 13 Cb -0.05 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2rml s SER 13 CO -0.01 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2rml n GLY 14 N -0.77 0.74 2.94 9.45 0.00 -1.26 -1.57 105.19 114.72 2rml n GLY 14 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.18 2.96 -4.10 1.61 2.00 -1.26 -4.93 117.12 111.23 2rml n MET 15 Ca 0.00 -2.80 -0.35 0.00 0.00 0.00 0.00 57.70 54.55 2rml n MET 15 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 33.22 29.80 2rml n MET 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2rml s THR 16 N 3.32 4.70 0.05 2.03 2.01 -1.26 -4.94 115.64 121.56 2rml s THR 16 Ca 0.48 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2rml s THR 16 Cb 0.11 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.54 2rml s THR 16 CO -0.05 0.51 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 2rml n ALA 18 N -1.98 0.62 0.13 0.00 0.00 -1.26 -1.89 120.51 116.13 2rml n ALA 18 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 2rml n ALA 18 Cb 0.05 -0.64 0.13 0.00 0.00 0.00 0.00 19.45 18.99 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 19 N 1.23 0.80 -0.04 0.00 0.00 -1.99 -2.68 119.26 116.58 2rml h ALA 19 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2rml h ALA 19 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2rml h ALA 19 CO 0.00 0.78 -0.06 0.00 0.00 0.00 0.00 179.25 179.97 2rml h ALA 21 N 0.49 0.46 -0.03 0.00 0.00 -1.73 0.51 119.26 118.95 2rml h ALA 21 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2rml h ALA 21 Cb 0.61 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2rml h ALA 21 CO 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 179.25 178.49 2rml h ALA 22 N 1.42 -0.61 -0.50 0.00 0.00 -1.44 -1.47 119.26 116.66 2rml h ALA 22 Ca 0.24 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2rml h ALA 22 Cb 0.35 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2rml h ALA 22 CO -0.39 -0.92 0.15 0.00 0.00 0.00 0.00 179.25 178.10 2rml h ARG 23 N -0.53 0.31 -0.13 0.00 2.47 -0.54 0.75 114.38 116.70 2rml h ARG 23 Ca 0.06 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2rml h ARG 23 Cb 0.63 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2rml h ARG 23 CO -0.33 0.20 -0.07 0.82 0.56 0.00 0.00 179.97 181.15 2rml h ILE 24 N 0.32 1.32 -0.26 2.04 1.08 -0.71 -0.02 117.51 121.28 2rml h ILE 24 Ca 0.25 -1.13 -0.03 0.00 -0.39 0.00 0.00 64.86 63.55 2rml h ILE 24 Cb 0.29 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 2rml h ILE 24 CO -0.28 0.33 0.04 -0.33 -0.69 0.00 0.00 178.15 177.22 2rml h GLU 25 N -0.07 0.43 0.00 2.37 5.08 -1.22 -1.25 114.58 119.92 2rml h GLU 25 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2rml h GLU 25 Cb 0.55 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2rml h GLU 25 CO 0.02 0.56 0.00 1.57 -1.00 0.00 0.00 179.01 180.16 2rml h LYS 26 N 0.24 0.00 0.00 2.33 2.10 -0.83 0.38 116.57 120.80 2rml h LYS 26 Ca 0.08 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 2rml h LYS 26 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2rml h LYS 26 CO 0.01 0.00 -0.08 0.78 -2.00 0.00 0.00 179.45 178.16 2rml h GLY 27 N 1.30 0.05 0.91 0.07 0.00 -0.77 -3.39 103.07 101.24 2rml h GLY 27 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2rml h GLY 27 CO 0.00 0.09 -0.12 1.41 0.00 0.00 0.00 176.54 177.92 2rml h LEU 28 N -0.75 0.63 -1.15 3.11 3.38 -0.87 -3.31 115.31 116.36 2rml h LEU 28 Ca -0.01 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2rml h LEU 28 Cb 0.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2rml h LEU 28 CO 0.02 0.88 0.11 1.17 0.09 0.00 0.00 178.44 180.70 2rml n LYS 29 N -4.42 0.11 0.10 1.13 4.81 0.09 -0.96 118.16 119.02 2rml n LYS 29 Ca -0.03 0.60 0.01 0.00 -0.87 0.00 0.00 58.31 58.02 2rml n LYS 29 Cb 0.36 -1.98 -0.02 0.00 0.02 0.00 0.00 35.03 33.40 2rml n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2rml h ARG 30 N 0.00 0.00 -6.26 1.64 3.08 -1.77 -3.46 114.38 107.62 2rml h ARG 30 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2rml h ARG 30 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2rml h ARG 30 CO 0.00 0.46 0.82 0.00 -1.07 0.00 0.00 179.97 180.18 2rml s MET 31 N -2.93 4.28 0.00 0.04 0.23 -0.13 -4.91 119.30 115.88 2rml s MET 31 Ca 0.01 1.75 0.10 0.00 -1.03 0.00 0.00 55.69 56.52 2rml s MET 31 Cb 0.08 -3.66 0.44 0.00 -1.53 0.00 0.00 34.83 30.15 2rml s MET 31 CO 0.77 -0.59 1.28 -0.35 -2.03 0.00 0.00 175.02 174.10 2rml n PRO 32 N 5.87 0.04 0.12 3.16 -0.04 -1.26 -1.31 135.00 141.58 2rml n PRO 32 Ca 0.13 0.29 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 2rml n PRO 32 Cb 0.45 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 2rml n PRO 32 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2rml h GLY 33 N 1.65 0.00 -4.47 0.55 0.00 -1.90 -3.47 103.07 95.43 2rml h GLY 33 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2rml h GLY 33 CO 0.00 0.00 0.51 0.54 0.00 0.00 0.00 176.54 177.59 2rml s VAL 34 N -3.04 4.26 -0.02 4.60 0.11 -0.42 -0.24 120.40 125.64 2rml s VAL 34 Ca 0.02 1.62 0.12 0.00 -2.93 0.00 0.00 61.98 60.81 2rml s VAL 34 Cb 0.10 -4.04 -0.19 0.00 -1.53 0.00 0.00 36.38 30.72 2rml s VAL 34 CO 0.77 0.12 0.25 1.07 -3.33 0.00 0.00 175.10 173.98 2rml n THR 35 N 3.94 0.07 -3.49 5.04 5.66 -0.17 -4.95 114.28 120.37 2rml n THR 35 Ca 0.08 -0.30 -0.06 0.00 -3.05 0.00 0.00 64.05 60.73 2rml n THR 35 Cb 0.48 0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.33 2rml n THR 35 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2rml s ASP 36 N -3.49 -0.38 -0.20 1.09 1.01 -0.62 -5.01 116.67 109.06 2rml s ASP 36 Ca -0.05 0.82 -0.08 0.00 0.71 0.00 0.00 52.55 53.95 2rml s ASP 36 Cb 0.07 1.52 -0.04 0.00 1.01 0.00 0.00 42.92 45.48 2rml s ASP 36 CO 0.50 -0.25 0.08 0.00 0.21 0.00 0.00 175.17 175.71 2rml s ALA 37 N 2.67 3.42 -0.14 5.23 0.00 -1.26 -0.37 121.76 131.29 2rml s ALA 37 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2rml s ALA 37 Cb -0.13 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.98 2rml s ALA 37 CO -0.16 0.01 -0.12 -0.80 0.00 0.00 0.00 175.76 174.69 2rml s ASN 38 N 0.68 2.63 -0.14 0.00 0.01 -0.23 -4.95 114.94 112.95 2rml s ASN 38 Ca 0.04 -0.48 -0.03 0.00 -0.71 0.00 0.00 52.86 51.68 2rml s ASN 38 Cb -0.13 -1.09 -0.03 0.00 0.41 0.00 0.00 41.25 40.41 2rml s ASN 38 CO 0.02 -0.08 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.80 2rml s VAL 39 N 1.54 4.00 -0.72 1.60 1.01 -1.26 -0.87 120.40 125.70 2rml s VAL 39 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2rml s VAL 39 Cb -0.13 -2.73 0.17 0.00 0.00 0.00 0.00 36.38 33.69 2rml s VAL 39 CO -0.10 0.52 0.52 0.21 0.00 0.00 0.00 175.10 176.26 2rml s ASN 40 N 0.04 5.04 0.41 3.32 2.47 -0.11 -4.97 114.94 121.13 2rml s ASN 40 Ca 0.01 -3.69 0.11 0.00 0.42 0.00 0.00 52.86 49.72 2rml s ASN 40 Cb -0.13 -1.71 0.85 0.00 -1.45 0.00 0.00 41.25 38.81 2rml s ASN 40 CO 0.02 -0.13 1.93 0.17 -3.72 0.00 0.00 177.10 175.37 2rml h LEU 41 N 5.73 0.12 -2.10 3.21 8.10 -1.93 -1.05 115.31 127.40 2rml h LEU 41 Ca 0.11 -0.03 0.07 0.00 0.11 0.00 0.00 57.88 58.15 2rml h LEU 41 Cb 0.79 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 2rml h LEU 41 CO 0.74 0.31 0.33 0.00 -4.11 0.00 0.00 178.44 175.72 2rml h ALA 42 N 1.70 1.85 -0.13 0.17 0.00 -1.93 -1.39 119.26 119.54 2rml h ALA 42 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2rml h ALA 42 Cb 0.39 0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.93 2rml h ALA 42 CO 0.03 -0.46 -0.86 2.41 0.00 0.00 0.00 179.25 180.37 2rml n THR 43 N -3.60 1.10 -0.98 0.00 -1.04 -0.96 -5.02 114.28 103.79 2rml n THR 43 Ca 0.03 -2.27 0.00 0.00 -2.04 0.00 0.00 64.05 59.78 2rml n THR 43 Cb 0.46 0.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.27 -1.20 -3.67 -2.82 2.13 -0.52 -4.93 120.64 109.34 2rml n GLU 44 Ca 0.14 0.30 -0.36 0.00 0.66 0.00 0.00 57.16 57.90 2rml n GLU 44 Cb 0.94 -4.24 -0.07 0.00 0.27 0.00 0.00 31.44 28.34 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 -1.40 5.37 -0.11 6.31 2.01 -0.45 -1.56 115.64 125.80 2rml s THR 45 Ca 0.00 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.39 2rml s THR 45 Cb 0.00 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 2rml s THR 45 CO 0.00 0.46 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.64 2rml s SER 46 N 0.05 3.36 -0.12 3.53 0.15 -0.30 -0.93 113.70 119.43 2rml s SER 46 Ca 0.13 -0.49 -0.05 0.00 0.70 0.00 0.00 55.95 56.25 2rml s SER 46 Cb -0.12 -1.45 0.06 0.00 -1.71 0.00 0.00 66.02 62.80 2rml s SER 46 CO 0.02 0.17 0.25 0.54 1.20 0.00 0.00 173.24 175.41 2rml s ASN 47 N 0.32 0.26 0.01 5.45 2.20 -0.04 -0.63 114.94 122.50 2rml s ASN 47 Ca -0.16 0.55 -0.00 0.00 -0.94 0.00 0.00 52.86 52.31 2rml s ASN 47 Cb -0.17 0.59 -0.01 0.00 -2.00 0.00 0.00 41.25 39.66 2rml s ASN 47 CO 0.08 -0.22 -0.01 -0.69 -2.94 0.00 0.00 177.10 173.32 2rml s VAL 48 N 2.15 0.04 -0.08 3.54 1.01 -0.10 -1.07 120.40 125.89 2rml s VAL 48 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2rml s VAL 48 Cb -0.12 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.17 2rml s VAL 48 CO -0.08 -0.18 -0.12 -0.63 0.00 0.00 0.00 175.10 174.08 2rml s ILE 49 N -0.53 1.22 0.08 2.22 1.09 0.50 -1.40 121.20 124.38 2rml s ILE 49 Ca -0.06 -0.49 -0.09 0.00 -1.10 0.00 0.00 60.65 58.91 2rml s ILE 49 Cb -0.04 -1.13 0.00 0.00 -1.06 0.00 0.00 42.46 40.23 2rml s ILE 49 CO -0.00 0.38 0.19 -0.72 -0.10 0.00 0.00 174.94 174.69 2rml s TYR 50 N 0.92 0.12 -0.21 3.97 1.13 0.04 -0.99 117.35 122.33 2rml s TYR 50 Ca -0.09 -0.50 -0.29 0.00 -1.41 0.00 0.00 57.07 54.77 2rml s TYR 50 Cb -0.15 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.64 2rml s TYR 50 CO 0.00 -0.52 1.50 0.34 -2.51 0.00 0.00 175.55 174.37 2rml s ASP 51 N -2.68 6.56 0.00 -0.18 -1.08 0.67 -0.60 116.67 119.35 2rml s ASP 51 Ca 0.03 1.61 0.20 0.00 -0.52 0.00 0.00 52.55 53.87 2rml s ASP 51 Cb 0.03 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.84 2rml s ASP 51 CO -0.09 -1.11 1.64 -0.81 0.52 0.00 0.00 175.17 175.32 2rml n PRO 52 N 7.37 0.06 -0.05 4.34 -0.04 -1.26 -1.28 135.00 144.14 2rml n PRO 52 Ca 0.17 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.58 2rml n PRO 52 Cb 0.45 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml n ALA 53 N -1.46 1.13 0.19 0.55 0.00 -1.26 -4.37 120.51 115.29 2rml n ALA 53 Ca 0.06 -0.80 0.09 0.00 0.00 0.00 0.00 53.44 52.78 2rml n ALA 53 Cb 0.22 -0.47 0.12 0.00 0.00 0.00 0.00 19.45 19.32 2rml n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rml h GLU 54 N 0.04 0.00 -3.38 0.00 4.39 -1.95 -3.44 114.58 110.24 2rml h GLU 54 Ca -0.48 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.73 2rml h GLU 54 Cb 1.99 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 30.24 2rml h GLU 54 CO 0.02 0.15 -0.76 0.99 -1.16 0.00 0.00 179.01 178.26 2rml s THR 55 N -3.14 0.31 0.57 1.13 2.01 -0.40 -4.82 115.64 111.30 2rml s THR 55 Ca 0.06 -0.39 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 2rml s THR 55 Cb 0.06 -0.85 -0.06 0.00 0.01 0.00 0.00 72.50 71.66 2rml s THR 55 CO 0.70 -0.21 1.01 -0.83 -0.69 0.00 0.00 174.62 174.60 2rml s GLY 56 N 1.96 1.85 0.19 4.40 0.00 -1.26 -4.35 107.32 110.11 2rml s GLY 56 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 2rml s GLY 56 CO -0.08 0.31 1.68 -0.84 0.00 0.00 0.00 173.10 174.17 2rml h THR 57 N 0.27 0.59 -0.01 0.90 2.02 -1.95 -1.39 112.91 113.34 2rml h THR 57 Ca -0.45 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2rml h THR 57 Cb 1.19 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2rml h THR 57 CO 0.62 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.53 2rml h ALA 58 N 1.46 1.76 0.00 6.16 0.00 -1.95 -2.56 119.26 124.13 2rml h ALA 58 Ca 0.26 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2rml h ALA 58 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2rml h ALA 58 CO -0.43 -0.01 -0.28 0.00 0.00 0.00 0.00 179.25 178.53 2rml h ALA 59 N 2.00 1.29 -0.06 0.00 0.00 -1.64 0.71 119.26 121.56 2rml h ALA 59 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2rml h ALA 59 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2rml h ALA 59 CO -0.00 0.35 -0.08 0.82 0.00 0.00 0.00 179.25 180.34 2rml h ILE 60 N 0.00 1.40 -0.18 0.00 1.08 -1.57 -1.92 117.51 116.32 2rml h ILE 60 Ca -0.00 -1.32 0.01 0.00 -0.39 0.00 0.00 64.86 63.16 2rml h ILE 60 Cb 0.59 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 2rml h ILE 60 CO 0.04 0.36 0.08 -0.61 -0.69 0.00 0.00 178.15 177.33 2rml h GLN 61 N -0.32 0.18 0.11 2.37 4.15 -1.55 -1.19 115.11 118.86 2rml h GLN 61 Ca 0.01 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2rml h GLN 61 Cb 0.63 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 2rml h GLN 61 CO 0.02 0.12 -0.15 1.49 -1.93 0.00 0.00 178.83 178.38 2rml h GLU 62 N 0.18 -0.30 0.00 1.69 4.81 -0.94 -1.48 114.58 118.54 2rml h GLU 62 Ca 0.07 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2rml h GLU 62 Cb 0.02 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2rml h GLU 62 CO -0.05 -0.20 0.00 1.17 -0.73 0.00 0.00 179.01 179.20 2rml n LYS 63 N -5.28 0.10 0.02 1.92 4.81 -0.72 -0.73 118.16 118.28 2rml n LYS 63 Ca -0.07 0.21 -0.12 0.00 -0.87 0.00 0.00 58.31 57.46 2rml n LYS 63 Cb 0.19 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.50 2rml n LYS 63 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2rml h ILE 64 N 0.00 1.16 0.36 3.15 2.04 -0.97 -3.34 117.51 119.91 2rml h ILE 64 Ca 0.00 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.55 2rml h ILE 64 Cb 0.46 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2rml h ILE 64 CO 0.00 0.30 -0.17 -0.33 0.00 0.00 0.00 178.15 177.94 2rml h GLU 65 N -0.75 -0.47 0.00 2.37 4.39 -0.79 -3.03 114.58 116.29 2rml h GLU 65 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2rml h GLU 65 Cb 0.58 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2rml h GLU 65 CO 0.02 -0.29 0.00 1.63 -1.16 0.00 0.00 179.01 179.22 2rml n LYS 66 N -5.28 0.01 0.00 2.33 4.76 0.09 -1.81 118.16 118.26 2rml n LYS 66 Ca -0.11 0.50 0.13 0.00 -2.87 0.00 0.00 58.31 55.97 2rml n LYS 66 Cb 0.22 -1.53 0.47 0.00 -1.84 0.00 0.00 35.03 32.35 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2rml n LEU 67 N -1.54 0.49 0.00 -0.35 7.99 -1.15 -4.93 117.00 117.52 2rml n LEU 67 Ca -0.00 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 2rml n LEU 67 Cb 0.01 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 2rml n LEU 67 CO 0.01 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 2rml n GLY 68 N 1.39 1.95 3.33 -0.72 0.00 -0.75 -4.98 105.19 105.41 2rml n GLY 68 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2rml n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 69 N -2.00 1.65 -0.04 1.61 2.02 -1.14 -4.98 117.35 114.47 2rml s TYR 69 Ca 0.00 -1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 55.20 2rml s TYR 69 Cb 0.00 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.78 2rml s TYR 69 CO 0.00 -0.65 0.07 -1.58 -1.57 0.00 0.00 175.55 171.82 2rml s HIS 70 N -3.54 0.00 0.50 2.71 2.46 -0.61 -4.52 115.29 112.29 2rml s HIS 70 Ca 0.36 0.27 -0.22 0.00 0.47 0.00 0.00 55.06 55.94 2rml s HIS 70 Cb 0.04 -0.33 -0.06 0.00 -0.13 0.00 0.00 32.58 32.09 2rml s HIS 70 CO 0.21 -0.16 1.28 0.14 -2.47 0.00 0.00 174.74 173.73 2rml s VAL 71 N 1.70 2.52 -0.14 0.89 -7.23 -1.26 -0.27 120.40 116.61 2rml s VAL 71 Ca -0.02 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2rml s VAL 71 Cb -0.12 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2rml s VAL 71 CO -0.04 -0.00 0.86 1.33 -0.31 0.00 0.00 175.10 176.94 2rml n VAL 72 N -0.73 0.79 -2.26 1.32 0.24 -0.79 -4.77 118.33 112.12 2rml n VAL 72 Ca 0.09 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.06 2rml n VAL 72 Cb 0.46 -0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 31.92 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2rml s THR 73 N -0.07 4.20 0.22 3.34 -4.23 -1.26 -4.38 115.64 113.46 2rml s THR 73 Ca 0.00 1.07 0.08 0.00 -1.18 0.00 0.00 61.69 61.66 2rml s THR 73 Cb 0.00 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 2rml s THR 73 CO 0.00 -0.59 0.02 -0.70 -0.54 0.00 0.00 174.62 172.81 2rml s GLU 74 N -4.03 2.43 0.01 3.99 2.12 -0.15 -4.94 118.70 118.13 2rml s GLU 74 Ca 0.61 -1.21 0.07 0.00 0.36 0.00 0.00 54.97 54.79 2rml s GLU 74 Cb -0.13 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.93 2rml s GLU 74 CO 0.33 0.41 -0.20 -1.59 -0.54 0.00 0.00 175.26 173.67 2rml s LYS 75 N -3.34 1.48 0.03 4.30 -2.85 -1.26 -1.57 119.74 116.54 2rml s LYS 75 Ca 0.30 -0.81 -0.02 0.00 -1.00 0.00 0.00 55.97 54.44 2rml s LYS 75 Cb -0.08 -1.51 -0.02 0.00 -2.06 0.00 0.00 37.83 34.16 2rml s LYS 75 CO 0.20 0.40 0.00 0.00 0.10 0.00 0.00 175.35 176.05 2rml s ALA 76 N -0.62 0.17 -0.07 0.59 0.00 -0.39 -5.00 121.76 116.43 2rml s ALA 76 Ca 0.07 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.35 2rml s ALA 76 Cb -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2rml s ALA 76 CO 0.00 -0.25 -0.23 -1.21 0.00 0.00 0.00 175.76 174.08 2rml s GLU 77 N -2.33 2.74 0.08 0.00 2.02 -1.26 -0.60 118.70 119.34 2rml s GLU 77 Ca -0.08 -0.86 0.08 0.00 0.02 0.00 0.00 54.97 54.13 2rml s GLU 77 Cb -0.03 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 2rml s GLU 77 CO -0.04 0.34 -0.21 -0.06 0.02 0.00 0.00 175.26 175.31 2rml s PHE 78 N -0.04 1.78 -0.20 1.61 0.40 -0.22 -2.90 117.98 118.41 2rml s PHE 78 Ca -0.07 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 2rml s PHE 78 Cb -0.15 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 2rml s PHE 78 CO 0.05 0.16 0.08 0.34 0.70 0.00 0.00 175.22 176.55 2rml s ASP 79 N -1.63 5.72 0.01 1.36 2.15 0.36 -0.76 116.67 123.89 2rml s ASP 79 Ca 0.07 0.08 -0.22 0.00 0.43 0.00 0.00 52.55 52.91 2rml s ASP 79 Cb -0.10 -1.99 -0.05 0.00 -0.30 0.00 0.00 42.92 40.48 2rml s ASP 79 CO 0.03 0.15 0.66 -0.63 -0.17 0.00 0.00 175.17 175.21 2rml s ILE 80 N 0.53 4.85 -0.14 4.11 1.09 0.42 -0.60 121.20 131.47 2rml s ILE 80 Ca 0.04 1.39 0.00 0.00 -1.10 0.00 0.00 60.65 60.98 2rml s ILE 80 Cb -0.13 -4.00 -0.01 0.00 -1.06 0.00 0.00 42.46 37.27 2rml s ILE 80 CO 0.01 0.39 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.40 2rml s GLU 81 N -0.10 3.31 0.00 2.79 -6.30 -0.99 -4.73 118.70 112.68 2rml s GLU 81 Ca 0.34 -0.72 0.00 0.00 -2.50 0.00 0.00 54.97 52.09 2rml s GLU 81 Cb -0.19 -2.61 0.00 0.00 0.00 0.00 0.00 34.13 31.33 2rml s GLU 81 CO 0.19 0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.02 2rml n GLY 82 N 3.73 0.97 3.26 -1.50 0.00 -1.26 -2.83 105.19 107.55 2rml n GLY 82 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 2.06 0.00 1.61 0.23 -1.26 -4.92 119.30 117.01 2rml s MET 83 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 55.69 53.82 2rml s MET 83 Cb 0.00 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 31.40 2rml s MET 83 CO 0.00 0.45 0.78 0.25 -2.03 0.00 0.00 175.02 174.47 2rml n THR 84 N 2.67 0.00 -3.57 3.16 -2.24 -1.26 -4.95 114.28 108.09 2rml n THR 84 Ca -0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2rml n THR 84 Cb 0.52 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 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 2.73 1.98 -0.02 0.00 0.00 -1.96 -0.85 119.26 121.14 2rml h ALA 86 Ca -0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2rml h ALA 86 Cb 1.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2rml h ALA 86 CO 0.32 -0.12 -0.18 0.00 0.00 0.00 0.00 179.25 179.27 2rml h ALA 87 N 1.67 1.66 -0.03 0.00 0.00 -1.97 -0.59 119.26 120.01 2rml h ALA 87 Ca 0.30 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 2rml h ALA 87 Cb 0.55 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.32 2rml h ALA 87 CO -0.09 0.25 -0.84 0.00 0.00 0.00 0.00 179.25 178.57 2rml h ALA 89 N 0.41 -0.15 -0.90 0.00 0.00 -1.17 -2.57 119.26 114.87 2rml h ALA 89 Ca -0.10 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 89 Cb 1.50 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 2rml h ALA 89 CO 0.17 -0.62 0.55 -0.97 0.00 0.00 0.00 179.25 178.37 2rml h ASN 90 N -0.22 0.84 -0.06 0.00 -0.73 -1.17 0.58 115.58 114.82 2rml h ASN 90 Ca 0.05 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.26 2rml h ASN 90 Cb 0.28 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 2rml h ASN 90 CO -0.13 0.50 0.06 0.03 -0.37 0.00 0.00 177.43 177.52 2rml h ARG 91 N 0.96 0.00 0.10 6.67 3.08 -0.98 -2.16 114.38 122.05 2rml h ARG 91 Ca 0.42 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 60.10 2rml h ARG 91 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2rml h ARG 91 CO -0.21 0.00 -2.02 0.44 -1.07 0.00 0.00 179.97 177.11 2rml n ILE 92 N -4.05 1.73 -0.22 2.04 -5.35 -0.87 -4.64 119.36 108.01 2rml n ILE 92 Ca -0.02 -0.61 0.02 0.00 -0.27 0.00 0.00 62.75 61.88 2rml n ILE 92 Cb 0.16 -1.72 0.13 0.00 -1.74 0.00 0.00 39.64 36.47 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 -0.01 0.29 -0.93 6.28 4.81 -0.29 -0.36 114.58 124.37 2rml h GLU 93 Ca -0.44 -0.02 0.20 0.00 -0.13 0.00 0.00 59.36 58.97 2rml h GLU 93 Cb 1.97 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 31.21 2rml h GLU 93 CO 0.05 0.19 0.60 -0.22 -0.73 0.00 0.00 179.01 178.90 2rml h LYS 94 N 0.30 0.51 0.12 1.92 3.64 -1.69 -0.12 116.57 121.24 2rml h LYS 94 Ca 0.35 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.40 2rml h LYS 94 Cb 0.53 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2rml h LYS 94 CO -0.42 0.33 -1.56 -0.09 -2.27 0.00 0.00 179.45 175.45 2rml h ARG 95 N 0.52 0.26 -0.70 1.90 1.12 -1.40 -3.38 114.38 112.70 2rml h ARG 95 Ca 0.50 -0.45 0.09 0.00 -1.11 0.00 0.00 59.98 59.01 2rml h ARG 95 Cb 1.08 0.17 -0.07 0.00 -0.01 0.00 0.00 29.97 31.14 2rml h ARG 95 CO -0.23 1.21 0.35 -0.07 -3.11 0.00 0.00 179.97 178.12 2rml h LEU 96 N -0.21 0.45 -0.95 3.80 -0.00 -0.62 -2.95 115.31 114.84 2rml h LEU 96 Ca -0.33 0.06 0.26 0.00 -0.00 0.00 0.00 57.88 57.87 2rml h LEU 96 Cb 1.84 -0.02 -0.17 0.00 -0.00 0.00 0.00 40.66 42.31 2rml h LEU 96 CO 0.07 0.26 0.09 -1.13 -0.00 0.00 0.00 178.44 177.73 2rml h ASN 97 N 0.60 -0.34 -2.45 -0.43 -0.73 -1.21 -3.24 115.58 107.78 2rml h ASN 97 Ca 0.34 0.26 -0.54 0.00 1.87 0.00 0.00 56.30 58.24 2rml h ASN 97 Cb 0.36 0.42 -0.37 0.00 0.27 0.00 0.00 38.32 39.00 2rml h ASN 97 CO -0.27 -0.31 -0.82 -0.54 -0.37 0.00 0.00 177.43 175.13 2rml s LYS 98 N -5.98 0.56 0.00 6.67 3.01 -1.13 -4.62 119.74 118.25 2rml s LYS 98 Ca -0.13 -1.23 0.00 0.00 -1.01 0.00 0.00 55.97 53.60 2rml s LYS 98 Cb 0.28 -1.17 0.00 0.00 -1.01 0.00 0.00 37.83 35.93 2rml s LYS 98 CO 0.78 -1.21 0.00 -0.89 0.51 0.00 0.00 175.35 174.54 2rml n ILE 99 N 4.08 0.00 -3.99 2.17 5.41 -1.13 -4.91 119.36 121.00 2rml n ILE 99 Ca 0.12 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.53 2rml n ILE 99 Cb 0.39 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.17 2rml n ILE 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2rml s GLU 100 N 0.52 3.05 0.00 0.38 2.02 -1.26 -4.78 118.70 118.62 2rml s GLU 100 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2rml s GLU 100 Cb 0.00 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2rml s GLU 100 CO 0.00 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.41 2rml n GLY 101 N 4.69 2.97 3.70 -1.39 0.00 -1.25 -4.29 105.19 109.63 2rml n GLY 101 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2rml n GLY 101 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rml n VAL 102 N -1.57 2.49 0.00 1.61 0.24 -1.26 -2.79 118.33 117.05 2rml n VAL 102 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2rml n VAL 102 Cb 0.00 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 30.80 2rml n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rml n ALA 103 N -0.14 1.99 -2.95 2.33 0.00 0.05 -4.78 120.51 117.00 2rml n ALA 103 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2rml n ALA 103 Cb 0.39 0.39 -0.11 0.00 0.00 0.00 0.00 19.45 20.12 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 -3.57 0.37 -0.43 0.00 0.01 -0.59 -4.27 114.94 106.46 2rml s ASN 104 Ca 0.00 -0.49 0.05 0.00 -0.71 0.00 0.00 52.86 51.71 2rml s ASN 104 Cb 0.00 0.08 0.29 0.00 0.41 0.00 0.00 41.25 42.03 2rml s ASN 104 CO 0.00 -0.26 1.10 0.00 -1.51 0.00 0.00 177.10 176.43 2rml n ALA 105 N 1.64 -1.76 -2.19 0.60 0.00 -1.26 -0.83 120.51 116.72 2rml n ALA 105 Ca -0.23 -1.12 -0.42 0.00 0.00 0.00 0.00 53.44 51.67 2rml n ALA 105 Cb 0.55 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 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 0.36 4.41 -0.08 0.00 0.04 -1.23 -4.41 135.00 134.09 2rml s PRO 106 Ca 0.26 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 63.19 2rml s PRO 106 Cb 0.26 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2rml s PRO 106 CO -0.15 -0.26 0.08 0.08 0.04 0.00 0.00 177.00 176.79 2rml s VAL 107 N 0.64 4.91 -0.02 -0.36 1.01 -1.26 -2.67 120.40 122.66 2rml s VAL 107 Ca 0.59 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2rml s VAL 107 Cb -0.33 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2rml s VAL 107 CO 0.33 0.54 0.37 0.21 0.00 0.00 0.00 175.10 176.55 2rml s ASN 108 N -1.17 6.74 0.00 3.32 3.84 0.35 -4.97 114.94 123.05 2rml s ASN 108 Ca 0.17 0.88 0.22 0.00 0.21 0.00 0.00 52.86 54.34 2rml s ASN 108 Cb -0.12 -2.22 -0.13 0.00 -0.55 0.00 0.00 41.25 38.23 2rml s ASN 108 CO 0.06 0.33 0.98 2.22 -2.79 0.00 0.00 177.10 177.90 2rml n PHE 109 N 1.91 0.00 0.00 0.43 1.16 -1.26 -3.92 117.46 115.77 2rml n PHE 109 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 2rml n PHE 109 Cb 0.53 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.38 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2rml n ALA 110 N -1.26 2.20 0.34 1.98 0.00 -1.26 -4.38 120.51 118.13 2rml n ALA 110 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2rml n ALA 110 Cb 0.35 0.44 0.46 0.00 0.00 0.00 0.00 19.45 20.70 2rml n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2rml h LEU 111 N 0.00 0.00 0.51 0.00 -0.00 -2.02 -3.47 115.31 110.33 2rml h LEU 111 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.66 2rml h LEU 111 Cb 0.87 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.45 2rml h LEU 111 CO 0.00 0.00 -0.20 -0.62 -0.00 0.00 0.00 178.44 177.62 2rml n GLU 112 N -2.81 -0.80 -3.66 1.13 1.02 -1.25 -4.97 120.64 109.30 2rml n GLU 112 Ca 0.03 0.87 -0.20 0.00 -0.02 0.00 0.00 57.16 57.83 2rml n GLU 112 Cb 0.38 -4.84 -0.02 0.00 -0.02 0.00 0.00 31.44 26.93 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 -2.38 3.65 -0.01 2.62 -4.23 -1.26 -0.43 115.64 113.61 2rml s THR 113 Ca 0.00 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2rml s THR 113 Cb 0.00 -3.25 0.01 0.00 1.34 0.00 0.00 72.50 70.61 2rml s THR 113 CO 0.00 -0.15 0.01 0.54 -0.54 0.00 0.00 174.62 174.48 2rml s VAL 114 N -2.27 -0.02 -0.25 2.29 0.11 0.06 -0.50 120.40 119.83 2rml s VAL 114 Ca 0.43 0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 59.52 2rml s VAL 114 Cb -0.07 -0.05 -0.00 0.00 -1.53 0.00 0.00 36.38 34.73 2rml s VAL 114 CO 0.28 0.04 0.01 -0.89 -3.33 0.00 0.00 175.10 171.21 2rml s THR 115 N 0.44 3.62 -0.06 5.04 2.01 -1.09 -1.05 115.64 124.55 2rml s THR 115 Ca -0.04 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2rml s THR 115 Cb -0.05 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 2rml s THR 115 CO -0.01 0.28 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.32 2rml s VAL 116 N 1.49 2.59 -0.14 3.82 1.01 0.23 -3.54 120.40 125.85 2rml s VAL 116 Ca 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2rml s VAL 116 Cb -0.16 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2rml s VAL 116 CO -0.01 0.57 -0.21 -0.70 0.00 0.00 0.00 175.10 174.75 2rml s GLU 117 N -0.36 3.06 0.12 2.72 2.12 -0.01 -1.26 118.70 125.10 2rml s GLU 117 Ca 0.03 -0.84 -0.24 0.00 0.36 0.00 0.00 54.97 54.28 2rml s GLU 117 Cb -0.12 -2.45 0.07 0.00 0.26 0.00 0.00 34.13 31.89 2rml s GLU 117 CO 0.02 0.02 0.64 1.52 -0.54 0.00 0.00 175.26 176.92 2rml s TYR 118 N 0.74 -0.53 -0.20 5.30 1.13 -0.61 -0.77 117.35 122.42 2rml s TYR 118 Ca -0.08 0.38 -0.22 0.00 -1.41 0.00 0.00 57.07 55.74 2rml s TYR 118 Cb -0.16 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.22 2rml s TYR 118 CO -0.00 -0.79 0.68 0.54 -2.51 0.00 0.00 175.55 173.47 2rml s ASN 119 N -2.58 6.74 0.00 -0.18 2.20 -1.12 -0.98 114.94 119.03 2rml s ASN 119 Ca 0.00 0.91 0.24 0.00 -0.94 0.00 0.00 52.86 53.07 2rml s ASN 119 Cb -0.01 -2.37 1.36 0.00 -2.00 0.00 0.00 41.25 38.23 2rml s ASN 119 CO -0.11 -0.32 1.77 -0.81 -2.94 0.00 0.00 177.10 174.70 2rml n PRO 120 N 5.17 0.66 0.05 3.55 -0.04 -1.26 -1.23 135.00 141.90 2rml n PRO 120 Ca 0.00 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2rml n PRO 120 Cb 0.49 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.92 -3.42 116.57 113.94 2rml h LYS 121 Ca 0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2rml h LYS 121 Cb 0.04 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2rml h LYS 121 CO 0.00 0.87 -0.21 0.39 -1.08 0.00 0.00 179.45 179.43 2rml n GLU 122 N -3.90 4.45 -3.40 3.15 -0.58 -1.19 -5.08 120.64 114.10 2rml n GLU 122 Ca -0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.33 2rml n GLU 122 Cb 0.63 -0.58 -0.06 0.00 -0.57 0.00 0.00 31.44 30.86 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -0.43 3.63 0.04 0.62 0.00 -0.36 -4.86 121.76 120.40 2rml s ALA 123 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 2rml s ALA 123 Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.63 2rml s ALA 123 CO 0.00 0.39 0.27 0.45 0.00 0.00 0.00 175.76 176.87 2rml s SER 124 N -0.86 -0.08 0.59 0.00 0.15 -1.26 -4.40 113.70 107.83 2rml s SER 124 Ca 0.26 -0.22 0.38 0.00 0.70 0.00 0.00 55.95 57.07 2rml s SER 124 Cb -0.17 0.33 1.89 0.00 -1.71 0.00 0.00 66.02 66.36 2rml s SER 124 CO 0.15 -0.58 2.16 0.58 1.20 0.00 0.00 173.24 176.74 2rml h VAL 125 N 3.35 0.00 0.21 4.45 2.07 -1.99 -0.90 116.25 123.44 2rml h VAL 125 Ca -0.32 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2rml h VAL 125 Cb 1.20 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2rml h VAL 125 CO 0.46 0.00 -0.31 0.28 0.02 0.00 0.00 177.57 178.02 2rml h SER 126 N 0.00 -0.87 -0.58 0.57 0.02 -1.99 -1.82 113.55 108.89 2rml h SER 126 Ca 0.00 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2rml h SER 126 Cb 0.23 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2rml h SER 126 CO 0.00 -0.42 0.11 0.44 -1.14 0.00 0.00 176.83 175.82 2rml h ASP 127 N -0.59 0.93 0.68 3.07 3.32 -1.58 0.42 116.42 122.68 2rml h ASP 127 Ca 0.01 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 2rml h ASP 127 Cb 0.58 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2rml h ASP 127 CO -0.13 0.93 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.92 2rml h LEU 128 N 0.93 -0.78 -0.62 1.55 3.38 -1.57 -2.08 115.31 116.12 2rml h LEU 128 Ca 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2rml h LEU 128 Cb 0.39 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2rml h LEU 128 CO 0.01 -0.42 0.17 0.11 0.09 0.00 0.00 178.44 178.39 2rml h LYS 129 N -1.17 0.99 0.00 1.13 1.57 -1.14 -1.40 116.57 116.55 2rml h LYS 129 Ca -0.09 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 2rml h LYS 129 Cb 0.73 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2rml h LYS 129 CO 0.15 0.89 -0.47 0.93 -0.57 0.00 0.00 179.45 180.38 2rml h GLU 130 N 0.91 0.00 -0.11 3.15 5.08 -1.02 -0.53 114.58 122.06 2rml h GLU 130 Ca 0.20 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2rml h GLU 130 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2rml h GLU 130 CO -0.00 0.47 -0.14 0.00 -1.00 0.00 0.00 179.01 178.35 2rml h ALA 131 N 1.53 0.17 0.00 3.43 0.00 -1.20 -3.34 119.26 119.85 2rml h ALA 131 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2rml h ALA 131 Cb 0.90 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2rml h ALA 131 CO 0.06 0.05 -0.41 0.28 0.00 0.00 0.00 179.25 179.23 2rml h VAL 132 N -0.12 1.07 -0.81 0.00 2.07 -1.02 -2.94 116.25 114.51 2rml h VAL 132 Ca 0.01 -1.54 0.17 0.00 0.82 0.00 0.00 66.70 66.16 2rml h VAL 132 Cb 0.68 1.89 -0.11 0.00 -1.52 0.00 0.00 31.29 32.23 2rml h VAL 132 CO 0.03 0.41 0.33 -0.78 0.02 0.00 0.00 177.57 177.58 2rml h ASP 133 N 0.00 0.29 1.39 0.57 3.58 -1.22 -1.38 116.42 119.65 2rml h ASP 133 Ca -0.00 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2rml h ASP 133 Cb 0.85 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2rml h ASP 133 CO 0.05 0.07 0.00 0.50 -2.88 0.00 0.00 179.24 176.98 2rml h LYS 134 N 0.43 0.00 0.00 0.28 3.64 -1.65 -2.04 116.57 117.23 2rml h LYS 134 Ca 0.46 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.68 2rml h LYS 134 Cb 0.76 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2rml h LYS 134 CO -0.45 0.00 -1.03 -0.07 -2.27 0.00 0.00 179.45 175.63 2rml h LEU 135 N 0.00 0.00 0.00 5.20 -0.00 -1.48 -3.49 115.31 115.54 2rml h LEU 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2rml h LEU 135 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2rml h LEU 135 CO 0.00 0.63 0.00 0.61 -0.00 0.00 0.00 178.44 179.68 2rml n GLY 136 N 1.34 0.98 0.03 0.83 0.00 -0.58 -5.09 105.19 102.70 2rml n GLY 136 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2rml n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 137 N -0.22 -2.28 -3.83 1.61 4.01 -1.09 -4.96 117.16 110.40 2rml n TYR 137 Ca 0.00 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 2rml n TYR 137 Cb 0.00 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -2.02 0.35 -0.92 -0.72 0.00 -1.13 -3.95 119.74 111.35 2rml s LYS 138 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 55.97 55.81 2rml s LYS 138 Cb -0.00 0.15 0.21 0.00 0.00 0.00 0.00 37.83 38.19 2rml s LYS 138 CO 0.00 -0.07 0.94 -0.51 0.00 0.00 0.00 175.35 175.71 2rml s LEU 139 N -0.56 6.25 0.34 2.77 1.43 -1.26 -2.34 118.68 125.30 2rml s LEU 139 Ca -0.07 -2.72 -0.29 0.00 -1.03 0.00 0.00 54.13 50.03 2rml s LEU 139 Cb -0.04 -2.26 -0.12 0.00 0.03 0.00 0.00 46.19 43.80 2rml s LEU 139 CO 0.01 -0.64 1.45 0.29 0.23 0.00 0.00 176.35 177.69 2rml n LYS 140 N 4.40 2.47 -3.77 1.70 5.02 0.23 -4.85 118.16 123.36 2rml n LYS 140 Ca 0.19 0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 57.05 2rml n LYS 140 Cb 0.46 -2.57 -0.04 0.00 -0.02 0.00 0.00 35.03 32.86 2rml n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rml s LEU 141 N -1.23 4.30 -0.42 -0.35 1.43 -1.26 -0.48 118.68 120.66 2rml s LEU 141 Ca 0.57 0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 53.91 2rml s LEU 141 Cb -0.52 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 42.57 2rml s LEU 141 CO 0.59 0.08 0.58 -0.75 0.23 0.00 0.00 176.35 177.07 2rml s LYS 142 N -2.73 3.28 0.00 1.70 2.47 -1.14 -1.39 119.74 121.94 2rml s LYS 142 Ca 0.38 -0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.36 2rml s LYS 142 Cb -0.12 -3.93 0.00 0.00 -1.46 0.00 0.00 37.83 32.31 2rml s LYS 142 CO 0.27 -0.92 0.00 0.41 0.16 0.00 0.00 175.35 175.27 2rml n GLY 143 N 5.02 2.24 0.00 5.54 0.00 -1.23 -4.72 105.19 112.04 2rml n GLY 143 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.94 0.71 0.00 1.61 1.02 -1.25 -4.78 120.64 116.01 2rml n GLU 144 Ca 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 2rml n GLU 144 Cb 0.00 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2rml n GLN 145 N -0.18 0.00 -0.13 3.49 6.02 -1.14 -4.85 117.38 120.59 2rml n GLN 145 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 2rml n GLN 145 Cb 0.20 -0.05 -0.11 0.00 1.02 0.00 0.00 30.24 31.30 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 -2.35 1.97 0.00 1.08 2.03 -0.48 -4.90 116.55 113.90 2rml n ASP 146 Ca 0.00 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2rml n ASP 146 Cb 0.00 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 2rml n ASP 146 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08