#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 8.69 0.00 4.03 4.77 -1.26 -4.41 117.00 128.81 2rml n LEU 2 Ca 0.00 -4.36 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 2rml n LEU 2 Cb 0.00 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 2rml n LEU 2 CO 0.00 2.03 0.00 -1.20 -1.33 0.00 0.00 177.39 176.89 2rml n SER 3 N 3.71 0.00 0.00 -1.43 7.64 -1.26 -5.05 113.62 117.23 2rml n SER 3 Ca 0.78 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2rml n SER 3 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2rml n SER 3 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2rml n GLU 4 N 0.00 0.00 -2.78 1.43 0.28 -1.26 -5.09 120.64 113.21 2rml n GLU 4 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2rml n GLU 4 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2rml s GLN 5 N 0.00 4.53 0.17 3.44 -0.21 -1.26 -4.25 119.66 122.08 2rml s GLN 5 Ca 0.00 1.30 -0.02 0.00 0.02 0.00 0.00 55.36 56.66 2rml s GLN 5 Cb 0.00 -3.46 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 2rml s GLN 5 CO 0.00 -0.03 0.13 0.15 -2.12 0.00 0.00 175.29 173.43 2rml s LYS 6 N 0.97 1.10 0.25 2.91 1.02 -0.43 -4.91 119.74 120.66 2rml s LYS 6 Ca 0.49 -1.49 -0.05 0.00 0.02 0.00 0.00 55.97 54.94 2rml s LYS 6 Cb -0.20 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.33 2rml s LYS 6 CO 0.26 -0.35 0.51 -1.83 -0.92 0.00 0.00 175.35 173.01 2rml s GLU 7 N -4.09 3.63 0.06 1.68 1.03 -1.26 -1.53 118.70 118.21 2rml s GLU 7 Ca 0.30 -0.03 -0.23 0.00 0.03 0.00 0.00 54.97 55.04 2rml s GLU 7 Cb 0.06 -2.70 0.05 0.00 -0.80 0.00 0.00 34.13 30.75 2rml s GLU 7 CO 0.07 0.28 0.54 -1.50 -1.33 0.00 0.00 175.26 173.31 2rml s ILE 8 N -1.98 0.03 0.03 1.83 2.07 -0.35 -4.95 121.20 117.89 2rml s ILE 8 Ca 0.43 -0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 59.37 2rml s ILE 8 Cb -0.11 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.49 2rml s ILE 8 CO 0.28 -0.12 0.17 0.00 -1.91 0.00 0.00 174.94 173.37 2rml s ALA 9 N -2.57 -0.31 -0.18 1.50 0.00 -1.26 -0.27 121.76 118.67 2rml s ALA 9 Ca -0.05 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 2rml s ALA 9 Cb -0.01 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.42 2rml s ALA 9 CO -0.03 -0.34 0.48 -1.64 0.00 0.00 0.00 175.76 174.24 2rml s MET 10 N -2.44 0.53 -0.15 0.00 -1.94 -0.10 -4.11 119.30 111.09 2rml s MET 10 Ca -0.06 0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 54.56 2rml s MET 10 Cb -0.02 0.19 -0.05 0.00 2.01 0.00 0.00 34.83 36.97 2rml s MET 10 CO -0.03 -0.10 0.17 -1.14 -0.01 0.00 0.00 175.02 173.91 2rml s GLN 11 N 0.64 3.86 0.36 2.03 -0.44 -1.26 -0.58 119.66 124.26 2rml s GLN 11 Ca -0.03 -0.10 0.09 0.00 -2.50 0.00 0.00 55.36 52.81 2rml s GLN 11 Cb -0.05 -3.31 -0.06 0.00 -1.64 0.00 0.00 33.01 27.95 2rml s GLN 11 CO -0.04 0.52 -0.02 0.08 0.50 0.00 0.00 175.29 176.34 2rml s VAL 12 N -0.31 2.39 -0.01 1.34 1.01 0.50 -4.38 120.40 120.94 2rml s VAL 12 Ca 0.13 -2.04 0.04 0.00 0.00 0.00 0.00 61.98 60.11 2rml s VAL 12 Cb -0.12 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 2rml s VAL 12 CO 0.02 -0.16 -0.13 -0.55 0.00 0.00 0.00 175.10 174.28 2rml s SER 13 N -3.69 1.48 0.00 3.32 0.15 -0.05 -4.80 113.70 110.10 2rml s SER 13 Ca 0.34 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2rml s SER 13 Cb 0.02 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 2rml s SER 13 CO 0.18 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2rml n GLY 14 N 2.75 1.33 0.62 9.45 0.00 -1.26 -0.20 105.19 117.88 2rml n GLY 14 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.12 1.75 0.28 1.61 2.81 -1.26 -4.76 117.12 116.43 2rml n MET 15 Ca 0.00 -1.24 0.09 0.00 -1.81 0.00 0.00 57.70 54.74 2rml n MET 15 Cb 0.00 -1.47 0.49 0.00 -0.71 0.00 0.00 33.22 31.53 2rml n MET 15 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2rml h THR 16 N 3.03 0.00 -0.22 2.03 1.35 -1.94 -1.20 112.91 115.96 2rml h THR 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2rml h THR 16 Cb 0.70 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2rml h THR 16 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2rml n ALA 18 N 0.63 0.00 0.24 0.00 0.00 -0.45 -4.48 120.51 116.45 2rml n ALA 18 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 2rml n ALA 18 Cb 0.40 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.45 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 0.00 1.36 -0.51 0.00 0.00 -1.94 -1.37 119.26 116.80 2rml h ALA 19 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2rml h ALA 19 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2rml h ALA 19 CO 0.00 0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.77 2rml h ALA 21 N 1.24 0.53 -0.96 0.00 0.00 -1.41 0.18 119.26 118.84 2rml h ALA 21 Ca 0.21 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2rml h ALA 21 Cb 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2rml h ALA 21 CO -0.11 0.04 0.62 0.00 0.00 0.00 0.00 179.25 179.79 2rml h ALA 22 N 1.10 1.48 -0.05 0.00 0.00 -1.23 -0.99 119.26 119.57 2rml h ALA 22 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2rml h ALA 22 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2rml h ALA 22 CO -0.03 0.36 -0.46 0.00 0.00 0.00 0.00 179.25 179.12 2rml h ARG 23 N 1.07 0.12 0.06 0.00 2.47 -0.51 -2.32 114.38 115.27 2rml h ARG 23 Ca 0.42 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 59.08 2rml h ARG 23 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2rml h ARG 23 CO -0.17 0.56 -0.03 0.82 0.56 0.00 0.00 179.97 181.70 2rml h ILE 24 N 0.10 1.24 0.06 2.04 5.03 -0.03 -1.47 117.51 124.48 2rml h ILE 24 Ca 0.00 -1.12 0.01 0.00 -0.12 0.00 0.00 64.86 63.64 2rml h ILE 24 Cb 0.85 1.96 -0.02 0.00 -3.03 0.00 0.00 36.82 36.58 2rml h ILE 24 CO 0.07 0.27 -0.13 -0.33 -0.68 0.00 0.00 178.15 177.35 2rml h GLU 25 N -0.59 -0.24 -0.24 2.37 5.08 -1.24 -0.62 114.58 119.10 2rml h GLU 25 Ca -0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2rml h GLU 25 Cb 0.51 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2rml h GLU 25 CO 0.01 -0.16 0.16 -0.22 -1.00 0.00 0.00 179.01 177.80 2rml h LYS 26 N -0.25 0.31 -0.12 2.33 3.64 -1.54 -1.36 116.57 119.59 2rml h LYS 26 Ca 0.03 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2rml h LYS 26 Cb 0.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2rml h LYS 26 CO -0.08 0.20 -0.33 0.78 -2.27 0.00 0.00 179.45 177.75 2rml h GLY 27 N 0.32 0.47 1.70 5.01 0.00 -0.25 -3.08 103.07 107.24 2rml h GLY 27 Ca 0.09 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 2rml h GLY 27 CO -0.02 0.54 -0.37 1.41 0.00 0.00 0.00 176.54 178.10 2rml h LEU 28 N 0.01 0.35 -2.12 3.11 -0.00 -1.07 -3.13 115.31 112.45 2rml h LEU 28 Ca -0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2rml h LEU 28 Cb 0.95 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2rml h LEU 28 CO 0.07 0.70 0.16 0.50 -0.00 0.00 0.00 178.44 179.87 2rml h LYS 29 N 0.29 0.00 -0.77 1.13 1.63 -1.15 0.17 116.57 117.86 2rml h LYS 29 Ca 0.03 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.64 2rml h LYS 29 Cb 0.79 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.30 2rml h LYS 29 CO 0.06 0.00 0.24 0.54 -3.45 0.00 0.00 179.45 176.84 2rml n ARG 30 N -2.75 3.62 -3.37 1.90 1.74 -1.18 -4.92 116.66 111.69 2rml n ARG 30 Ca -0.02 -2.84 -0.38 0.00 -0.77 0.00 0.00 57.85 53.83 2rml n ARG 30 Cb 0.21 -2.16 -0.06 0.00 -1.02 0.00 0.00 32.46 29.44 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 -2.78 4.17 0.63 5.56 -1.94 0.05 -5.01 119.30 119.97 2rml s MET 31 Ca 0.51 0.50 0.40 0.00 -1.71 0.00 0.00 55.69 55.39 2rml s MET 31 Cb 0.41 -3.32 2.08 0.00 2.01 0.00 0.00 34.83 36.00 2rml s MET 31 CO 0.13 0.43 2.25 -1.00 -0.01 0.00 0.00 175.02 176.82 2rml h PRO 32 N 5.60 0.00 -0.02 2.03 0.13 -1.90 -1.17 132.00 136.67 2rml h PRO 32 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2rml h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2rml h PRO 32 CO 0.68 0.01 -0.24 0.41 -0.23 0.00 0.00 178.00 178.64 2rml n GLY 33 N -0.77 0.31 3.68 1.56 0.00 -1.26 -4.91 105.19 103.79 2rml n GLY 33 Ca -0.02 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.26 5.11 -0.11 1.61 1.01 -0.45 -0.38 120.40 124.93 2rml s VAL 34 Ca 0.24 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.32 2rml s VAL 34 Cb 0.19 -3.87 -0.24 0.00 0.00 0.00 0.00 36.38 32.47 2rml s VAL 34 CO 0.45 0.21 0.41 1.07 0.00 0.00 0.00 175.10 177.24 2rml n THR 35 N 4.28 1.61 -3.56 3.92 5.66 -0.28 -4.86 114.28 121.05 2rml n THR 35 Ca -0.05 -0.75 -0.09 0.00 -3.05 0.00 0.00 64.05 60.11 2rml n THR 35 Cb 0.51 -1.16 -0.02 0.00 -1.55 0.00 0.00 70.33 68.11 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 -6.27 -0.42 -0.01 1.09 -1.08 -0.68 -5.01 116.67 104.28 2rml s ASP 36 Ca -0.13 -0.17 -0.04 0.00 -0.52 0.00 0.00 52.55 51.70 2rml s ASP 36 Cb 0.07 0.57 -0.00 0.00 -1.46 0.00 0.00 42.92 42.10 2rml s ASP 36 CO 0.79 -0.97 0.08 0.00 0.52 0.00 0.00 175.17 175.59 2rml s ALA 37 N -3.61 -0.18 -0.05 3.66 0.00 -1.26 -0.64 121.76 119.69 2rml s ALA 37 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 2rml s ALA 37 Cb -0.02 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2rml s ALA 37 CO -0.07 -0.13 0.12 -0.80 0.00 0.00 0.00 175.76 174.88 2rml s ASN 38 N -0.82 -0.09 -0.11 0.00 0.01 -0.02 -4.89 114.94 109.02 2rml s ASN 38 Ca -0.09 0.24 0.03 0.00 -0.71 0.00 0.00 52.86 52.33 2rml s ASN 38 Cb -0.05 0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.78 2rml s ASN 38 CO 0.00 -0.11 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.58 2rml s VAL 39 N 0.75 1.98 -0.43 1.60 1.01 -1.26 -0.61 120.40 123.44 2rml s VAL 39 Ca -0.06 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2rml s VAL 39 Cb -0.08 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.59 2rml s VAL 39 CO -0.03 0.54 0.50 0.21 0.00 0.00 0.00 175.10 176.32 2rml s ASN 40 N 0.57 6.23 0.12 3.32 3.84 -0.23 -4.98 114.94 123.81 2rml s ASN 40 Ca -0.14 -0.61 -0.04 0.00 0.21 0.00 0.00 52.86 52.28 2rml s ASN 40 Cb -0.17 -2.25 -0.14 0.00 -0.55 0.00 0.00 41.25 38.14 2rml s ASN 40 CO 0.04 -0.66 1.26 0.25 -2.79 0.00 0.00 177.10 175.21 2rml h LEU 41 N 9.26 0.47 -2.09 3.21 6.46 -1.95 0.00 115.31 130.68 2rml h LEU 41 Ca -0.26 -0.41 0.09 0.00 -0.12 0.00 0.00 57.88 57.18 2rml h LEU 41 Cb 1.11 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 2rml h LEU 41 CO 0.83 1.24 0.33 0.00 -0.62 0.00 0.00 178.44 180.22 2rml h ALA 42 N 0.71 2.02 0.00 1.25 0.00 -1.97 -0.31 119.26 120.97 2rml h ALA 42 Ca -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2rml h ALA 42 Cb 1.69 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.41 2rml h ALA 42 CO 0.17 -0.49 -0.56 -2.37 0.00 0.00 0.00 179.25 176.01 2rml n THR 43 N -3.83 1.43 -3.76 0.00 5.66 -1.25 -5.05 114.28 107.48 2rml n THR 43 Ca 0.05 -2.27 -0.19 0.00 -3.05 0.00 0.00 64.05 58.59 2rml n THR 43 Cb 0.48 0.13 -0.00 0.00 -1.55 0.00 0.00 70.33 69.39 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2rml n GLU 44 N -0.68 -0.75 -4.48 1.09 2.13 -0.13 -4.82 120.64 113.01 2rml n GLU 44 Ca 0.14 -0.22 -0.22 0.00 0.66 0.00 0.00 57.16 57.52 2rml n GLU 44 Cb 0.80 -0.67 -0.16 0.00 0.27 0.00 0.00 31.44 31.68 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 -4.22 0.93 -0.07 6.31 2.01 -0.08 -0.37 115.64 120.14 2rml s THR 45 Ca 0.17 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 2rml s THR 45 Cb -0.09 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 2rml s THR 45 CO 0.41 0.29 0.17 -0.94 -0.69 0.00 0.00 174.62 173.87 2rml s SER 46 N 0.35 6.41 -0.03 3.53 1.04 0.25 -1.06 113.70 124.18 2rml s SER 46 Ca -0.07 0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 2rml s SER 46 Cb -0.11 -2.06 0.03 0.00 0.10 0.00 0.00 66.02 63.98 2rml s SER 46 CO 0.01 0.35 0.05 0.20 0.98 0.00 0.00 173.24 174.84 2rml s ASN 47 N -1.34 0.79 0.07 7.02 0.01 0.22 -0.92 114.94 120.79 2rml s ASN 47 Ca 0.20 0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.43 2rml s ASN 47 Cb -0.12 -0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.39 2rml s ASN 47 CO 0.09 -0.21 -0.06 0.68 -1.51 0.00 0.00 177.10 176.09 2rml s VAL 48 N 1.82 0.57 -0.11 1.60 -7.23 0.63 -0.84 120.40 116.85 2rml s VAL 48 Ca 0.00 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2rml s VAL 48 Cb -0.12 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.55 2rml s VAL 48 CO -0.03 -0.72 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.28 2rml s ILE 49 N -2.88 1.34 0.13 -0.62 1.09 0.19 -1.21 121.20 119.25 2rml s ILE 49 Ca 0.04 -0.53 -0.19 0.00 -1.10 0.00 0.00 60.65 58.86 2rml s ILE 49 Cb 0.00 -1.25 0.05 0.00 -1.06 0.00 0.00 42.46 40.20 2rml s ILE 49 CO -0.04 0.41 0.48 -0.72 -0.10 0.00 0.00 174.94 174.97 2rml s TYR 50 N 1.16 -0.33 -0.23 3.97 1.13 -0.58 -1.12 117.35 121.34 2rml s TYR 50 Ca -0.04 0.09 -0.11 0.00 -1.41 0.00 0.00 57.07 55.60 2rml s TYR 50 Cb -0.14 0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 41.03 2rml s TYR 50 CO -0.03 -0.74 0.17 0.34 -2.51 0.00 0.00 175.55 172.78 2rml s ASP 51 N -2.69 6.16 0.02 -0.18 -1.08 0.49 -1.31 116.67 118.07 2rml s ASP 51 Ca 0.01 0.17 0.18 0.00 -0.52 0.00 0.00 52.55 52.39 2rml s ASP 51 Cb 0.01 -2.11 0.75 0.00 -1.46 0.00 0.00 42.92 40.11 2rml s ASP 51 CO -0.11 0.08 1.57 -0.81 0.52 0.00 0.00 175.17 176.41 2rml n PRO 52 N 4.14 0.02 -0.00 4.34 -0.04 -1.26 -3.37 135.00 138.83 2rml n PRO 52 Ca -0.15 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2rml n PRO 52 Cb 0.52 -1.53 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml h ALA 53 N 2.57 -0.01 -0.01 0.55 0.00 -1.92 -3.31 119.26 117.14 2rml h ALA 53 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2rml h ALA 53 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2rml h ALA 53 CO 0.00 -0.30 -0.08 0.39 0.00 0.00 0.00 179.25 179.26 2rml n GLU 54 N -4.90 1.07 -3.67 0.00 -0.58 -1.22 -4.85 120.64 106.51 2rml n GLU 54 Ca -0.08 -0.46 -0.08 0.00 -0.42 0.00 0.00 57.16 56.12 2rml n GLU 54 Cb 0.22 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.24 -0.28 0.22 2.62 2.01 -1.24 -4.23 115.64 112.50 2rml s THR 55 Ca 0.35 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 2rml s THR 55 Cb 0.21 -0.77 -0.08 0.00 0.01 0.00 0.00 72.50 71.86 2rml s THR 55 CO 0.42 0.03 0.99 -0.83 -0.69 0.00 0.00 174.62 174.54 2rml s GLY 56 N 1.92 3.06 0.57 4.40 0.00 -1.26 -4.50 107.32 111.51 2rml s GLY 56 Ca -0.07 0.68 0.35 0.00 0.00 0.00 0.00 44.72 45.68 2rml s GLY 56 CO -0.15 1.34 2.05 0.00 0.00 0.00 0.00 173.10 176.33 2rml h THR 57 N 3.36 0.00 -0.01 0.90 1.03 -1.92 -1.14 112.91 115.14 2rml h THR 57 Ca -0.45 -0.42 0.00 0.00 -0.01 0.00 0.00 66.41 65.54 2rml h THR 57 Cb 1.21 1.41 -0.00 0.00 -1.07 0.00 0.00 68.15 69.69 2rml h THR 57 CO 0.69 0.00 0.03 0.00 -0.01 0.00 0.00 175.52 176.23 2rml h ALA 58 N 2.01 1.15 0.00 0.00 0.00 -1.93 -2.04 119.26 118.44 2rml h ALA 58 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 58 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2rml h ALA 58 CO 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.20 2rml h ALA 59 N 1.95 1.07 -0.29 0.00 0.00 -1.59 -3.05 119.26 117.35 2rml h ALA 59 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 59 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2rml h ALA 59 CO -0.00 0.02 0.15 0.82 0.00 0.00 0.00 179.25 180.24 2rml h ILE 60 N 0.00 1.14 -0.15 0.00 1.08 -1.59 -1.60 117.51 116.40 2rml h ILE 60 Ca -0.00 -0.39 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 2rml h ILE 60 Cb 0.18 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2rml h ILE 60 CO 0.00 0.14 -0.24 0.06 -0.69 0.00 0.00 178.15 177.43 2rml h GLN 61 N 0.34 0.42 -0.84 2.37 -0.00 -1.77 -3.32 115.11 112.31 2rml h GLN 61 Ca 0.10 -0.25 0.11 0.00 -0.00 0.00 0.00 58.65 58.60 2rml h GLN 61 Cb 0.10 0.03 -0.08 0.00 -0.00 0.00 0.00 27.48 27.52 2rml h GLN 61 CO -0.01 0.84 0.48 0.93 -0.00 0.00 0.00 178.83 181.07 2rml h GLU 62 N 0.03 0.75 0.00 0.06 4.39 -1.40 0.10 114.58 118.52 2rml h GLU 62 Ca 0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2rml h GLU 62 Cb 0.81 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2rml h GLU 62 CO 0.05 0.50 -0.15 -0.22 -1.16 0.00 0.00 179.01 178.03 2rml h LYS 63 N 0.78 0.00 0.14 2.33 1.63 -1.44 -2.05 116.57 117.96 2rml h LYS 63 Ca 0.42 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.96 2rml h LYS 63 Cb 0.43 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2rml h LYS 63 CO -0.27 0.15 -1.22 0.82 -3.45 0.00 0.00 179.45 175.48 2rml h ILE 64 N 0.00 1.22 -0.98 2.00 2.04 -1.16 -3.31 117.51 117.32 2rml h ILE 64 Ca -0.00 -2.48 0.21 0.00 1.00 0.00 0.00 64.86 63.58 2rml h ILE 64 Cb 0.83 2.92 -0.09 0.00 -0.74 0.00 0.00 36.82 39.74 2rml h ILE 64 CO 0.02 0.73 0.62 -0.33 0.00 0.00 0.00 178.15 179.18 2rml h GLU 65 N -0.27 0.59 0.00 2.37 5.08 -0.86 -1.08 114.58 120.42 2rml h GLU 65 Ca -0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2rml h GLU 65 Cb 1.78 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2rml h GLU 65 CO 0.12 0.39 0.06 -0.22 -1.00 0.00 0.00 179.01 178.36 2rml h LYS 66 N 0.61 0.00 -0.01 2.33 3.11 -1.45 -0.45 116.57 120.70 2rml h LYS 66 Ca 0.55 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 2rml h LYS 66 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2rml h LYS 66 CO -0.31 0.00 -0.17 1.28 -2.81 0.00 0.00 179.45 177.44 2rml n LEU 67 N -2.57 1.28 -0.71 5.20 7.99 -0.41 -4.99 117.00 122.80 2rml n LEU 67 Ca -0.02 -0.38 0.00 0.00 -0.01 0.00 0.00 56.01 55.60 2rml n LEU 67 Cb 0.11 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 2rml n LEU 67 CO 0.13 0.23 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 2rml n GLY 68 N 1.29 0.72 0.00 -0.72 0.00 -0.18 -5.09 105.19 101.21 2rml n GLY 68 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2rml n GLY 68 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2rml n TYR 69 N -1.74 0.00 -4.12 1.61 4.11 -1.26 -5.05 117.16 110.71 2rml n TYR 69 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 2rml n TYR 69 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.76 2rml n TYR 69 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2rml s HIS 70 N 0.27 1.02 0.15 -3.48 2.46 0.73 -4.99 115.29 111.45 2rml s HIS 70 Ca 0.00 -1.23 -0.25 0.00 0.47 0.00 0.00 55.06 54.05 2rml s HIS 70 Cb 0.00 -0.20 0.06 0.00 -0.13 0.00 0.00 32.58 32.31 2rml s HIS 70 CO 0.00 -0.97 0.87 0.54 -2.47 0.00 0.00 174.74 172.71 2rml s VAL 71 N -3.54 0.00 -0.07 0.89 0.11 -1.26 -0.87 120.40 115.65 2rml s VAL 71 Ca 0.32 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2rml s VAL 71 Cb 0.01 -1.76 0.01 0.00 -1.53 0.00 0.00 36.38 33.12 2rml s VAL 71 CO 0.17 0.00 -0.14 0.54 -3.33 0.00 0.00 175.10 172.34 2rml s VAL 72 N -3.42 1.29 0.01 2.04 0.11 -1.26 -4.91 120.40 114.25 2rml s VAL 72 Ca 0.10 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.56 2rml s VAL 72 Cb -0.02 -1.16 -0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2rml s VAL 72 CO 0.00 0.39 0.04 0.42 -3.33 0.00 0.00 175.10 172.62 2rml s THR 73 N 0.65 0.08 0.03 5.04 -4.23 -1.26 -4.48 115.64 111.47 2rml s THR 73 Ca -0.15 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2rml s THR 73 Cb -0.16 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 2rml s THR 73 CO 0.04 -0.38 -0.06 -0.70 -0.54 0.00 0.00 174.62 172.99 2rml s GLU 74 N -1.19 0.43 -0.06 3.99 2.56 -0.23 -4.92 118.70 119.29 2rml s GLU 74 Ca -0.13 -0.69 0.05 0.00 0.00 0.00 0.00 54.97 54.20 2rml s GLU 74 Cb -0.08 -0.11 -0.02 0.00 2.00 0.00 0.00 34.13 35.92 2rml s GLU 74 CO 0.00 0.01 -0.20 -1.59 -0.56 0.00 0.00 175.26 172.91 2rml s LYS 75 N -1.53 2.54 0.07 4.30 -2.85 -1.26 -1.55 119.74 119.45 2rml s LYS 75 Ca -0.13 -0.82 0.01 0.00 -1.00 0.00 0.00 55.97 54.04 2rml s LYS 75 Cb -0.10 -2.26 -0.04 0.00 -2.06 0.00 0.00 37.83 33.37 2rml s LYS 75 CO -0.00 0.48 -0.05 0.00 0.10 0.00 0.00 175.35 175.87 2rml s ALA 76 N -0.39 0.68 0.13 0.59 0.00 -0.41 -5.01 121.76 117.36 2rml s ALA 76 Ca 0.03 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2rml s ALA 76 Cb -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 2rml s ALA 76 CO 0.02 -0.23 -0.11 -1.21 0.00 0.00 0.00 175.76 174.23 2rml s GLU 77 N -3.21 2.06 0.02 0.00 2.02 -1.26 -0.35 118.70 117.98 2rml s GLU 77 Ca 0.04 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.91 2rml s GLU 77 Cb 0.02 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 2rml s GLU 77 CO -0.05 0.48 -0.06 -0.06 0.02 0.00 0.00 175.26 175.58 2rml s PHE 78 N -1.39 0.54 -0.16 1.61 0.40 -0.54 -3.48 117.98 114.97 2rml s PHE 78 Ca 0.22 -0.31 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 2rml s PHE 78 Cb -0.10 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.07 2rml s PHE 78 CO 0.14 -0.05 0.73 0.34 0.70 0.00 0.00 175.22 177.07 2rml s ASP 79 N -0.91 6.85 -1.27 1.36 -1.08 0.23 -0.77 116.67 121.08 2rml s ASP 79 Ca -0.05 1.04 -0.12 0.00 -0.52 0.00 0.00 52.55 52.89 2rml s ASP 79 Cb -0.06 -2.40 0.15 0.00 -1.46 0.00 0.00 42.92 39.14 2rml s ASP 79 CO 0.00 -0.30 1.71 -0.38 0.52 0.00 0.00 175.17 176.72 2rml n ILE 80 N 4.56 4.20 -0.94 4.11 2.08 0.65 -1.49 119.36 132.53 2rml n ILE 80 Ca 0.01 -4.39 -0.15 0.00 0.56 0.00 0.00 62.75 58.78 2rml n ILE 80 Cb 0.50 -2.42 -0.13 0.00 -0.75 0.00 0.00 39.64 36.83 2rml n ILE 80 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2rml n GLU 81 N 5.22 2.04 0.00 0.38 0.00 -1.20 -2.65 120.64 124.42 2rml n GLU 81 Ca 0.40 -1.08 0.00 0.00 0.00 0.00 0.00 57.16 56.49 2rml n GLU 81 Cb 0.40 -2.07 0.00 0.00 0.00 0.00 0.00 31.44 29.77 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rml n GLY 82 N 2.72 0.58 3.24 8.31 0.00 -1.26 -4.44 105.19 114.33 2rml n GLY 82 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 1.10 0.00 1.61 0.23 -1.08 -4.82 119.30 116.33 2rml s MET 83 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 2rml s MET 83 Cb 0.00 -1.25 0.00 0.00 -1.53 0.00 0.00 34.83 32.05 2rml s MET 83 CO 0.00 0.30 0.18 0.25 -2.03 0.00 0.00 175.02 173.71 2rml n THR 84 N 1.40 0.00 -3.53 3.16 -2.24 -1.26 -4.96 114.28 106.85 2rml n THR 84 Ca -0.19 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.33 2rml n THR 84 Cb 0.54 1.65 -0.02 0.00 -2.10 0.00 0.00 70.33 70.40 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 2.00 0.97 -0.89 0.00 0.00 -1.97 -0.97 119.26 118.41 2rml h ALA 86 Ca -0.23 0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.90 2rml h ALA 86 Cb 1.24 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2rml h ALA 86 CO 0.31 -0.22 0.57 0.00 0.00 0.00 0.00 179.25 179.90 2rml h ALA 87 N 1.53 1.66 -0.03 0.00 0.00 -1.98 0.29 119.26 120.72 2rml h ALA 87 Ca 0.39 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 2rml h ALA 87 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2rml h ALA 87 CO -0.40 0.15 -0.71 0.00 0.00 0.00 0.00 179.25 178.29 2rml h ALA 89 N 1.12 -0.67 -0.94 0.00 0.00 -0.92 -3.26 119.26 114.61 2rml h ALA 89 Ca -0.02 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 89 Cb 1.27 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.23 2rml h ALA 89 CO 0.11 -0.75 0.60 -0.91 0.00 0.00 0.00 179.25 178.30 2rml h ASN 90 N -0.92 0.61 -0.49 0.00 4.21 -1.00 0.38 115.58 118.37 2rml h ASN 90 Ca -0.07 0.06 0.07 0.00 1.21 0.00 0.00 56.30 57.57 2rml h ASN 90 Cb 0.60 -0.06 -0.03 0.00 -1.12 0.00 0.00 38.32 37.71 2rml h ASN 90 CO 0.11 0.26 0.33 0.03 -1.29 0.00 0.00 177.43 176.87 2rml h ARG 91 N 0.62 0.36 0.03 0.81 3.08 -1.44 -2.68 114.38 115.18 2rml h ARG 91 Ca 0.50 -0.02 -0.34 0.00 0.07 0.00 0.00 59.98 60.18 2rml h ARG 91 Cb 0.93 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 2rml h ARG 91 CO -0.25 0.24 -2.04 0.44 -1.07 0.00 0.00 179.97 177.29 2rml n ILE 92 N -4.47 1.59 -0.23 2.04 -5.35 -0.42 -4.61 119.36 107.90 2rml n ILE 92 Ca 0.07 -0.75 0.03 0.00 -0.27 0.00 0.00 62.75 61.83 2rml n ILE 92 Cb 0.29 -1.12 0.15 0.00 -1.74 0.00 0.00 39.64 37.21 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 0.43 -0.13 6.28 4.81 -0.64 0.10 114.58 125.44 2rml h GLU 93 Ca -0.42 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.82 2rml h GLU 93 Cb 2.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.34 2rml h GLU 93 CO 0.05 0.28 0.11 -0.22 -0.73 0.00 0.00 179.01 178.50 2rml h LYS 94 N 0.44 0.00 0.11 1.92 3.64 -1.78 -0.10 116.57 120.80 2rml h LYS 94 Ca 0.36 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.38 2rml h LYS 94 Cb 0.49 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2rml h LYS 94 CO -0.35 0.00 -1.97 -2.13 -2.27 0.00 0.00 179.45 172.72 2rml n ARG 95 N -4.29 0.74 -0.34 1.90 3.00 -0.33 -4.27 116.66 113.08 2rml n ARG 95 Ca 0.00 0.26 0.04 0.00 -0.00 0.00 0.00 57.85 58.16 2rml n ARG 95 Cb 0.23 -1.72 0.19 0.00 0.00 0.00 0.00 32.46 31.17 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2rml h LEU 96 N 0.06 0.86 -0.80 6.15 -0.00 -0.46 -1.60 115.31 119.52 2rml h LEU 96 Ca -0.41 0.04 0.19 0.00 -0.00 0.00 0.00 57.88 57.70 2rml h LEU 96 Cb 2.03 -0.14 -0.12 0.00 -0.00 0.00 0.00 40.66 42.43 2rml h LEU 96 CO 0.09 0.49 0.21 -1.13 -0.00 0.00 0.00 178.44 178.10 2rml h ASN 97 N 0.96 0.02 -2.31 -0.43 -0.73 -1.22 -3.32 115.58 108.55 2rml h ASN 97 Ca 0.44 0.17 -0.58 0.00 1.87 0.00 0.00 56.30 58.19 2rml h ASN 97 Cb 0.36 0.22 -0.39 0.00 0.27 0.00 0.00 38.32 38.78 2rml h ASN 97 CO -0.23 -0.08 -0.97 0.29 -0.37 0.00 0.00 177.43 176.07 2rml n LYS 98 N -5.18 0.57 0.00 6.67 4.01 -0.68 -4.50 118.16 119.05 2rml n LYS 98 Ca 0.17 -3.36 0.00 0.00 -0.51 0.00 0.00 58.31 54.61 2rml n LYS 98 Cb 0.55 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2rml n ILE 99 N 2.27 0.00 -4.65 -0.18 5.41 -0.73 -4.84 119.36 116.65 2rml n ILE 99 Ca 0.27 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.71 2rml n ILE 99 Cb 0.48 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.00 2.68 0.00 0.38 0.41 -1.26 -4.85 118.70 116.06 2rml s GLU 100 Ca 0.00 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 2rml s GLU 100 Cb 0.00 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 2rml s GLU 100 CO 0.00 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 2rml n GLY 101 N 4.05 2.16 3.74 -1.39 0.00 -1.26 -4.48 105.19 108.01 2rml n GLY 101 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.07 2.08 -0.17 1.61 -7.23 -1.26 -1.94 120.40 110.42 2rml s VAL 102 Ca 0.00 0.05 -0.09 0.00 -1.81 0.00 0.00 61.98 60.13 2rml s VAL 102 Cb 0.00 -3.02 -0.07 0.00 0.56 0.00 0.00 36.38 33.85 2rml s VAL 102 CO 0.00 -0.01 -0.23 0.00 -0.31 0.00 0.00 175.10 174.56 2rml n ALA 103 N -1.69 1.86 -2.37 1.32 0.00 0.37 -4.52 120.51 115.48 2rml n ALA 103 Ca 0.15 -0.68 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 2rml n ALA 103 Cb 0.47 0.26 -0.10 0.00 0.00 0.00 0.00 19.45 20.08 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 -6.53 1.00 -0.29 0.00 0.01 -0.64 -4.53 114.94 103.95 2rml s ASN 104 Ca -0.24 -0.87 -0.13 0.00 -0.71 0.00 0.00 52.86 50.91 2rml s ASN 104 Cb 0.09 0.09 0.11 0.00 0.41 0.00 0.00 41.25 41.95 2rml s ASN 104 CO 0.30 -0.40 0.69 0.00 -1.51 0.00 0.00 177.10 176.18 2rml s ALA 105 N -2.99 -2.02 -0.12 0.60 0.00 -1.26 -0.85 121.76 115.11 2rml s ALA 105 Ca 0.05 2.36 -0.04 0.00 0.00 0.00 0.00 51.96 54.33 2rml s ALA 105 Cb 0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2rml s ALA 105 CO -0.04 -0.71 0.04 -1.25 0.00 0.00 0.00 175.76 173.81 2rml s PRO 106 N 2.36 3.38 -0.25 0.00 0.04 -1.18 -4.45 135.00 134.90 2rml s PRO 106 Ca -0.07 -0.35 -0.09 0.00 0.04 0.00 0.00 61.00 60.52 2rml s PRO 106 Cb -0.09 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 2rml s PRO 106 CO -0.19 0.57 0.13 0.08 0.04 0.00 0.00 177.00 177.62 2rml s VAL 107 N -0.48 4.90 0.14 -0.36 1.01 -1.26 -1.75 120.40 122.60 2rml s VAL 107 Ca 0.09 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2rml s VAL 107 Cb -0.12 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 2rml s VAL 107 CO 0.02 0.32 1.07 0.21 0.00 0.00 0.00 175.10 176.72 2rml s ASN 108 N 1.43 7.31 0.00 3.32 3.84 -0.85 -4.89 114.94 125.10 2rml s ASN 108 Ca 0.06 1.98 0.23 0.00 0.21 0.00 0.00 52.86 55.34 2rml s ASN 108 Cb -0.15 -2.60 0.06 0.00 -0.55 0.00 0.00 41.25 38.02 2rml s ASN 108 CO 0.06 -0.21 1.14 2.22 -2.79 0.00 0.00 177.10 177.53 2rml n PHE 109 N 2.74 0.00 0.00 0.43 1.16 -1.26 -3.49 117.46 117.04 2rml n PHE 109 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 2rml n PHE 109 Cb 0.47 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.34 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 0.29 1.87 0.43 1.98 0.00 -1.26 -4.18 120.51 119.64 2rml n ALA 110 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2rml n ALA 110 Cb 0.50 0.28 0.28 0.00 0.00 0.00 0.00 19.45 20.51 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 0.06 0.00 -0.00 -2.00 -3.48 115.31 109.89 2rml h LEU 111 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2rml h LEU 111 Cb 0.71 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 2rml h LEU 111 CO 0.00 0.00 -0.02 -0.62 -0.00 0.00 0.00 178.44 177.80 2rml n GLU 112 N -2.66 -0.99 -4.20 1.13 1.02 -1.23 -5.00 120.64 108.71 2rml n GLU 112 Ca 0.05 0.33 -0.34 0.00 -0.02 0.00 0.00 57.16 57.17 2rml n GLU 112 Cb 0.48 -4.11 -0.13 0.00 -0.02 0.00 0.00 31.44 27.65 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 -1.59 3.58 0.12 2.62 -4.23 -1.26 -0.26 115.64 114.63 2rml s THR 113 Ca 0.00 -0.45 -0.21 0.00 -1.18 0.00 0.00 61.69 59.85 2rml s THR 113 Cb 0.00 -2.59 -0.07 0.00 1.34 0.00 0.00 72.50 71.17 2rml s THR 113 CO 0.00 0.46 0.66 0.54 -0.54 0.00 0.00 174.62 175.74 2rml s VAL 114 N 0.93 4.58 -0.15 2.29 0.11 0.05 -2.01 120.40 126.21 2rml s VAL 114 Ca -0.00 1.40 -0.10 0.00 -2.93 0.00 0.00 61.98 60.35 2rml s VAL 114 Cb -0.15 -3.98 -0.05 0.00 -1.53 0.00 0.00 36.38 30.68 2rml s VAL 114 CO 0.01 0.50 0.17 -0.89 -3.33 0.00 0.00 175.10 171.57 2rml s THR 115 N -1.17 5.41 -0.03 5.04 2.01 -0.71 -1.46 115.64 124.73 2rml s THR 115 Ca 0.33 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.66 2rml s THR 115 Cb -0.20 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 2rml s THR 115 CO 0.22 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.83 2rml s VAL 116 N -0.30 1.17 -0.16 3.82 1.01 0.52 -3.11 120.40 123.35 2rml s VAL 116 Ca 0.13 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2rml s VAL 116 Cb -0.12 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2rml s VAL 116 CO 0.02 0.34 -0.14 -0.70 0.00 0.00 0.00 175.10 174.62 2rml s GLU 117 N -0.08 2.35 0.23 2.72 2.12 -0.03 -1.29 118.70 124.72 2rml s GLU 117 Ca 0.00 -0.64 -0.21 0.00 0.36 0.00 0.00 54.97 54.49 2rml s GLU 117 Cb -0.08 -2.22 0.03 0.00 0.26 0.00 0.00 34.13 32.12 2rml s GLU 117 CO 0.01 -0.26 0.64 1.52 -0.54 0.00 0.00 175.26 176.62 2rml s TYR 118 N 1.45 -0.25 -0.24 5.30 1.13 -0.59 -0.48 117.35 123.66 2rml s TYR 118 Ca 0.04 -0.12 -0.24 0.00 -1.41 0.00 0.00 57.07 55.34 2rml s TYR 118 Cb -0.13 0.59 -0.01 0.00 -1.10 0.00 0.00 41.96 41.31 2rml s TYR 118 CO -0.11 -1.07 0.79 1.21 -2.51 0.00 0.00 175.55 173.87 2rml s ASN 119 N -2.87 6.79 0.00 -0.18 3.84 -0.82 -1.07 114.94 120.63 2rml s ASN 119 Ca 0.08 0.98 0.00 0.00 0.21 0.00 0.00 52.86 54.13 2rml s ASN 119 Cb -0.04 -2.42 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 2rml s ASN 119 CO -0.00 -0.49 0.59 -0.81 -2.79 0.00 0.00 177.10 173.60 2rml n PRO 120 N 5.94 0.96 0.00 0.43 -0.04 -1.26 -3.35 135.00 137.68 2rml n PRO 120 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2rml n PRO 120 Cb 0.48 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2rml n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rml n LYS 121 N -0.10 2.61 0.07 0.54 4.76 -1.26 -4.82 118.16 119.96 2rml n LYS 121 Ca 0.00 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.33 2rml n LYS 121 Cb 0.18 -0.77 -0.01 0.00 -1.84 0.00 0.00 35.03 32.59 2rml n LYS 121 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2rml h GLU 122 N 0.00 0.36 -3.64 1.97 4.22 -1.92 -3.48 114.58 112.09 2rml h GLU 122 Ca 0.00 -0.35 -0.08 0.00 0.08 0.00 0.00 59.36 59.00 2rml h GLU 122 Cb 0.10 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 2rml h GLU 122 CO 0.00 1.03 -0.08 0.00 -2.18 0.00 0.00 179.01 177.78 2rml s ALA 123 N -3.36 -0.16 0.00 2.92 0.00 -1.25 -4.89 121.76 115.01 2rml s ALA 123 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2rml s ALA 123 Cb 0.10 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.25 2rml s ALA 123 CO 0.85 -0.87 0.00 0.45 0.00 0.00 0.00 175.76 176.19 2rml n SER 124 N -0.65 0.00 0.18 0.00 2.88 -1.26 -4.63 113.62 110.14 2rml n SER 124 Ca -0.02 -0.33 0.13 0.00 -1.33 0.00 0.00 58.87 57.32 2rml n SER 124 Cb 0.61 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.69 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 0.33 0.00 -0.22 2.46 2.07 -2.00 -1.23 116.25 117.66 2rml h VAL 125 Ca 0.00 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 2rml h VAL 125 Cb 0.00 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2rml h VAL 125 CO 0.00 0.00 -0.37 0.28 0.02 0.00 0.00 177.57 177.50 2rml h SER 126 N 0.00 0.71 -0.33 0.57 0.02 -1.98 -0.85 113.55 111.69 2rml h SER 126 Ca 0.00 -0.53 -0.17 0.00 -0.84 0.00 0.00 61.79 60.25 2rml h SER 126 Cb 0.21 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2rml h SER 126 CO 0.00 1.10 -0.45 0.44 -1.14 0.00 0.00 176.83 176.78 2rml h ASP 127 N 0.34 0.97 -0.71 3.07 3.32 -1.65 -0.55 116.42 121.22 2rml h ASP 127 Ca 0.02 -0.50 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 2rml h ASP 127 Cb 0.96 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 2rml h ASP 127 CO 0.08 1.28 0.42 -0.07 -1.72 0.00 0.00 179.24 179.24 2rml h LEU 128 N 0.68 0.85 0.60 1.55 3.38 -1.55 -0.57 115.31 120.25 2rml h LEU 128 Ca 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2rml h LEU 128 Cb 1.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2rml h LEU 128 CO 0.11 0.67 -0.42 0.11 0.09 0.00 0.00 178.44 178.99 2rml h LYS 129 N 0.96 -0.94 -0.92 1.13 1.79 -0.95 -2.85 116.57 114.78 2rml h LYS 129 Ca 0.25 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.93 2rml h LYS 129 Cb -0.03 0.21 -0.09 0.00 -1.58 0.00 0.00 32.23 30.75 2rml h LYS 129 CO -0.05 -0.63 0.54 0.93 -1.08 0.00 0.00 179.45 179.16 2rml h GLU 130 N -0.98 0.77 0.00 3.15 5.08 -0.86 0.18 114.58 121.93 2rml h GLU 130 Ca -0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2rml h GLU 130 Cb 0.81 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2rml h GLU 130 CO 0.04 0.51 -0.10 0.00 -1.00 0.00 0.00 179.01 178.46 2rml h ALA 131 N 1.55 1.55 0.00 3.43 0.00 -1.06 -2.53 119.26 122.21 2rml h ALA 131 Ca 0.49 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.94 2rml h ALA 131 Cb 0.60 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2rml h ALA 131 CO -0.32 0.12 -2.37 0.28 0.00 0.00 0.00 179.25 176.97 2rml n VAL 132 N -4.01 1.37 -0.31 0.00 0.31 -0.40 -4.36 118.33 110.93 2rml n VAL 132 Ca -0.02 -0.74 0.01 0.00 -0.01 0.00 0.00 64.34 63.57 2rml n VAL 132 Cb 0.19 -0.78 0.14 0.00 -0.91 0.00 0.00 33.84 32.48 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 0.83 -0.41 4.52 3.58 -0.69 -2.22 116.42 122.03 2rml h ASP 133 Ca -0.54 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.05 2rml h ASP 133 Cb 2.10 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.97 2rml h ASP 133 CO -0.01 0.53 0.33 0.50 -2.88 0.00 0.00 179.24 177.71 2rml h LYS 134 N 0.97 0.00 -0.00 0.28 1.63 -1.65 -1.38 116.57 116.41 2rml h LYS 134 Ca 0.37 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 2rml h LYS 134 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2rml h LYS 134 CO -0.17 0.00 -0.55 1.28 -3.45 0.00 0.00 179.45 176.56 2rml n LEU 135 N -4.20 0.88 0.00 5.20 7.99 -0.84 -4.99 117.00 121.04 2rml n LEU 135 Ca 0.07 -0.24 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 2rml n LEU 135 Cb 0.52 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 2rml n LEU 135 CO 0.34 0.19 0.00 0.61 -1.51 0.00 0.00 177.39 177.02 2rml n GLY 136 N 1.45 0.84 0.00 -0.72 0.00 -0.52 -5.10 105.19 101.14 2rml n GLY 136 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.42 -0.59 -4.19 1.61 4.01 -1.16 -5.00 117.16 109.41 2rml n TYR 137 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2rml n TYR 137 Cb 0.04 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.80 1.21 0.01 -0.72 0.00 -1.26 -4.17 119.74 115.61 2rml s LYS 138 Ca 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 55.97 54.32 2rml s LYS 138 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 37.83 38.06 2rml s LYS 138 CO 0.00 -0.40 0.22 -0.51 0.00 0.00 0.00 175.35 174.66 2rml s LEU 139 N -3.15 4.36 -0.03 2.77 1.43 -1.26 -3.26 118.68 119.54 2rml s LEU 139 Ca 0.38 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.95 2rml s LEU 139 Cb 0.07 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2rml s LEU 139 CO 0.12 0.24 -0.25 -0.54 0.23 0.00 0.00 176.35 176.14 2rml s LYS 140 N -2.02 2.18 0.81 1.70 1.02 -0.55 -4.97 119.74 117.90 2rml s LYS 140 Ca 0.29 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 2rml s LYS 140 Cb -0.13 -2.07 0.08 0.00 -0.52 0.00 0.00 37.83 35.19 2rml s LYS 140 CO 0.20 0.54 1.11 -0.51 -0.92 0.00 0.00 175.35 175.77 2rml s LEU 141 N -0.56 3.01 -0.18 3.17 1.43 -1.26 -0.60 118.68 123.68 2rml s LEU 141 Ca 0.08 1.97 -0.02 0.00 -1.03 0.00 0.00 54.13 55.13 2rml s LEU 141 Cb -0.10 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 2rml s LEU 141 CO -0.00 -2.35 -0.09 -0.75 0.23 0.00 0.00 176.35 173.39 2rml s LYS 142 N -4.74 3.36 0.62 1.70 2.20 -1.23 -0.82 119.74 120.83 2rml s LYS 142 Ca 0.64 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.59 2rml s LYS 142 Cb -0.19 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2rml s LYS 142 CO 0.55 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 2rml n GLY 143 N 4.26 2.09 1.90 5.54 0.00 0.60 -4.79 105.19 114.80 2rml n GLY 143 Ca -0.18 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 1.68 0.00 1.61 1.02 -1.26 -3.22 120.64 120.47 2rml n GLU 144 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 2rml n GLU 144 Cb 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 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 2.27 0.00 0.03 3.49 6.02 -1.24 -4.44 117.38 123.51 2rml n GLN 145 Ca 0.31 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.42 2rml n GLN 145 Cb 0.78 0.00 0.51 0.00 1.02 0.00 0.00 30.24 32.55 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 0.22 0.00 1.08 2.03 0.00 -5.00 116.55 114.89 2rml n ASP 146 Ca 0.00 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2rml n ASP 146 Cb 0.00 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 2rml n ASP 146 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08