#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml s LEU 2 N 0.00 3.94 0.00 4.03 2.34 -1.26 -4.87 118.68 122.86 2rml s LEU 2 Ca 0.00 2.75 0.00 0.00 0.06 0.00 0.00 54.13 56.94 2rml s LEU 2 Cb 0.00 -4.19 0.00 0.00 -0.56 0.00 0.00 46.19 41.44 2rml s LEU 2 CO 0.00 -1.40 0.00 -1.20 -1.06 0.00 0.00 176.35 172.69 2rml n SER 3 N -0.76 0.00 -3.66 1.48 7.64 -1.26 -5.15 113.62 111.92 2rml n SER 3 Ca 0.09 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.91 2rml n SER 3 Cb 0.45 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.00 0.45 -0.17 1.43 -1.05 -1.26 -5.15 118.70 112.95 2rml s GLU 4 Ca 0.00 1.21 -0.13 0.00 -0.15 0.00 0.00 54.97 55.90 2rml s GLU 4 Cb 0.00 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.17 2rml s GLU 4 CO 0.00 -0.22 0.25 -0.65 0.95 0.00 0.00 175.26 175.59 2rml s GLN 5 N 2.62 4.24 0.07 -4.83 -0.21 -1.26 -4.12 119.66 116.15 2rml s GLN 5 Ca -0.04 0.01 0.08 0.00 0.02 0.00 0.00 55.36 55.43 2rml s GLN 5 Cb -0.11 -3.42 -0.03 0.00 1.00 0.00 0.00 33.01 30.44 2rml s GLN 5 CO -0.16 0.26 -0.23 0.15 -2.12 0.00 0.00 175.29 173.19 2rml s LYS 6 N 0.44 1.44 0.67 2.91 3.01 0.15 -4.88 119.74 123.48 2rml s LYS 6 Ca 0.14 -1.08 -0.08 0.00 -1.01 0.00 0.00 55.97 53.94 2rml s LYS 6 Cb -0.12 -1.66 0.03 0.00 -1.01 0.00 0.00 37.83 35.07 2rml s LYS 6 CO 0.02 0.41 1.01 -1.83 0.51 0.00 0.00 175.35 175.48 2rml s GLU 7 N -1.45 2.62 0.01 1.68 -1.05 -1.26 -1.63 118.70 117.62 2rml s GLU 7 Ca 0.09 0.06 -0.09 0.00 -0.15 0.00 0.00 54.97 54.88 2rml s GLU 7 Cb -0.09 -2.15 0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2rml s GLU 7 CO 0.03 -1.02 0.18 0.42 0.95 0.00 0.00 175.26 175.82 2rml s ILE 8 N -3.21 0.09 -0.04 1.83 1.01 0.37 -4.95 121.20 116.31 2rml s ILE 8 Ca 0.57 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.51 2rml s ILE 8 Cb -0.11 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.72 2rml s ILE 8 CO 0.47 -0.41 -0.13 0.00 0.00 0.00 0.00 174.94 174.87 2rml s ALA 9 N -1.83 1.20 -0.01 9.38 0.00 -1.26 -0.38 121.76 128.86 2rml s ALA 9 Ca -0.11 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 2rml s ALA 9 Cb -0.05 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2rml s ALA 9 CO -0.00 0.20 0.25 -1.64 0.00 0.00 0.00 175.76 174.57 2rml s MET 10 N 0.14 0.60 -0.01 0.00 -1.94 -0.52 -2.42 119.30 115.15 2rml s MET 10 Ca -0.04 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 2rml s MET 10 Cb -0.10 0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.96 2rml s MET 10 CO 0.01 -0.16 0.03 -1.14 -0.01 0.00 0.00 175.02 173.75 2rml s GLN 11 N -1.35 2.89 -0.15 2.03 -0.44 -1.26 -0.46 119.66 120.91 2rml s GLN 11 Ca -0.14 -0.55 -0.14 0.00 -2.50 0.00 0.00 55.36 52.02 2rml s GLN 11 Cb -0.06 -2.74 0.04 0.00 -1.64 0.00 0.00 33.01 28.61 2rml s GLN 11 CO 0.03 0.64 0.41 0.54 0.50 0.00 0.00 175.29 177.41 2rml s VAL 12 N -1.11 -0.00 0.06 1.34 0.11 -1.23 -2.60 120.40 116.97 2rml s VAL 12 Ca 0.20 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2rml s VAL 12 Cb -0.12 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 2rml s VAL 12 CO 0.11 0.00 0.21 -0.55 -3.33 0.00 0.00 175.10 171.54 2rml s SER 13 N 0.24 6.36 0.00 3.54 0.15 0.70 -4.57 113.70 120.11 2rml s SER 13 Ca -0.00 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2rml s SER 13 Cb -0.03 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 2rml s SER 13 CO 0.00 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2rml n GLY 14 N 0.31 0.61 0.03 9.45 0.00 -1.26 -1.51 105.19 112.82 2rml n GLY 14 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.01 0.65 -0.77 1.61 2.00 -1.26 -4.57 117.12 112.77 2rml n MET 15 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.48 2rml n MET 15 Cb 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 33.22 32.18 2rml n MET 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2rml n THR 16 N -0.46 2.53 0.00 2.03 -1.04 -1.26 -2.21 114.28 113.87 2rml n THR 16 Ca 0.00 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.52 2rml n THR 16 Cb 0.01 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.38 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2rml n ALA 18 N -0.00 0.00 0.22 0.00 0.00 -0.94 -4.63 120.51 115.17 2rml n ALA 18 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2rml n ALA 18 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 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 1.00 -0.75 0.00 0.00 -1.97 -0.94 119.26 116.59 2rml h ALA 19 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 2rml h ALA 19 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 2rml h ALA 19 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 2rml h ALA 21 N 1.74 -0.88 0.00 0.00 0.00 -1.53 0.26 119.26 118.85 2rml h ALA 21 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2rml h ALA 21 Cb 0.55 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2rml h ALA 21 CO -0.78 -1.04 0.25 0.00 0.00 0.00 0.00 179.25 177.68 2rml h ALA 22 N -0.42 1.24 0.05 0.00 0.00 -1.60 0.18 119.26 118.71 2rml h ALA 22 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 2rml h ALA 22 Cb 0.74 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2rml h ALA 22 CO -0.14 -0.24 -2.11 0.54 0.00 0.00 0.00 179.25 177.29 2rml n ARG 23 N -2.88 0.70 0.10 0.00 5.12 -0.76 -4.03 116.66 114.91 2rml n ARG 23 Ca -0.02 0.21 -0.11 0.00 -1.93 0.00 0.00 57.85 55.99 2rml n ARG 23 Cb 0.30 -1.66 -0.07 0.00 -1.16 0.00 0.00 32.46 29.87 2rml n ARG 23 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2rml h ILE 24 N 0.03 0.71 -0.29 0.55 1.08 0.86 -2.71 117.51 117.75 2rml h ILE 24 Ca -0.45 -0.89 0.05 0.00 -0.39 0.00 0.00 64.86 63.18 2rml h ILE 24 Cb 2.03 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 36.87 2rml h ILE 24 CO 0.03 0.16 0.03 -0.33 -0.69 0.00 0.00 178.15 177.35 2rml h GLU 25 N -0.85 0.12 -0.20 2.37 5.08 -0.99 -0.22 114.58 119.89 2rml h GLU 25 Ca -0.03 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2rml h GLU 25 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2rml h GLU 25 CO 0.05 0.08 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.67 2rml h LYS 26 N 0.12 0.36 -0.12 2.33 3.64 -1.71 -0.40 116.57 120.79 2rml h LYS 26 Ca 0.14 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2rml h LYS 26 Cb 0.16 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2rml h LYS 26 CO -0.20 0.59 0.01 0.78 -2.27 0.00 0.00 179.45 178.36 2rml h GLY 27 N 1.00 0.23 1.01 5.01 0.00 -1.01 -2.99 103.07 106.32 2rml h GLY 27 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 2rml h GLY 27 CO 0.04 0.15 -0.40 1.41 0.00 0.00 0.00 176.54 177.74 2rml h LEU 28 N -0.04 0.79 -2.41 3.11 4.07 -0.96 -3.09 115.31 116.79 2rml h LEU 28 Ca 0.04 -0.52 0.02 0.00 0.08 0.00 0.00 57.88 57.50 2rml h LEU 28 Cb 0.33 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2rml h LEU 28 CO 0.00 1.16 0.14 0.50 -1.08 0.00 0.00 178.44 179.17 2rml h LYS 29 N 0.45 0.00 -0.00 1.13 3.11 -1.13 -0.83 116.57 119.30 2rml h LYS 29 Ca 0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2rml h LYS 29 Cb 1.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 2rml h LYS 29 CO 0.09 0.00 -0.09 0.54 -2.81 0.00 0.00 179.45 177.18 2rml n ARG 30 N -3.51 0.52 -1.50 1.90 5.12 -1.13 -4.93 116.66 113.12 2rml n ARG 30 Ca -0.01 -0.13 -0.30 0.00 -1.93 0.00 0.00 57.85 55.48 2rml n ARG 30 Cb 0.24 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.13 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2rml s MET 31 N -2.57 2.03 0.00 5.56 -1.94 -0.32 -5.05 119.30 117.00 2rml s MET 31 Ca 0.27 0.69 0.00 0.00 -1.71 0.00 0.00 55.69 54.94 2rml s MET 31 Cb 0.20 -1.91 0.00 0.00 2.01 0.00 0.00 34.83 35.13 2rml s MET 31 CO 0.49 -1.67 0.67 -0.35 -0.01 0.00 0.00 175.02 174.15 2rml n PRO 32 N -3.48 0.00 0.01 2.03 -0.04 -1.26 -4.32 135.00 127.95 2rml n PRO 32 Ca 0.07 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 2rml n PRO 32 Cb 0.56 -1.31 0.56 0.00 -0.04 0.00 0.00 33.50 33.27 2rml n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rml n GLY 33 N -0.05 -1.47 3.70 0.55 0.00 -0.75 -4.76 105.19 102.40 2rml n GLY 33 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.02 4.24 -0.15 1.61 1.01 -1.26 -0.82 120.40 122.01 2rml s VAL 34 Ca 0.13 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.49 2rml s VAL 34 Cb 0.17 -4.02 -0.18 0.00 0.00 0.00 0.00 36.38 32.36 2rml s VAL 34 CO 0.51 0.05 0.40 0.00 0.00 0.00 0.00 175.10 176.07 2rml h THR 35 N 4.81 1.10 -1.66 3.92 1.03 -1.21 -3.45 112.91 117.45 2rml h THR 35 Ca -0.37 -1.96 0.25 0.00 -0.01 0.00 0.00 66.41 64.32 2rml h THR 35 Cb 1.19 2.21 -0.15 0.00 -1.07 0.00 0.00 68.15 70.33 2rml h THR 35 CO 0.84 0.37 0.74 1.51 -0.01 0.00 0.00 175.52 178.98 2rml s ASP 36 N -6.25 -0.14 0.02 0.00 -4.77 -0.77 -4.86 116.67 99.90 2rml s ASP 36 Ca -0.18 -0.10 -0.13 0.00 -3.30 0.00 0.00 52.55 48.84 2rml s ASP 36 Cb 0.00 0.22 0.02 0.00 -1.09 0.00 0.00 42.92 42.07 2rml s ASP 36 CO 0.51 -0.38 0.27 0.00 0.70 0.00 0.00 175.17 176.26 2rml s ALA 37 N -2.61 -0.62 -0.04 2.11 0.00 -1.26 -0.32 121.76 119.01 2rml s ALA 37 Ca 0.11 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 2rml s ALA 37 Cb 0.01 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2rml s ALA 37 CO -0.04 -0.33 0.11 -0.80 0.00 0.00 0.00 175.76 174.70 2rml s ASN 38 N -1.75 -0.09 0.50 0.00 0.01 -0.00 -4.94 114.94 108.67 2rml s ASN 38 Ca -0.09 0.22 -0.19 0.00 -0.71 0.00 0.00 52.86 52.09 2rml s ASN 38 Cb -0.03 0.17 -0.08 0.00 0.41 0.00 0.00 41.25 41.72 2rml s ASN 38 CO -0.00 -0.08 1.01 0.54 -1.51 0.00 0.00 177.10 177.06 2rml s VAL 39 N 0.50 4.10 -2.64 1.60 0.11 -1.26 -1.37 120.40 121.44 2rml s VAL 39 Ca -0.04 1.19 0.25 0.00 -2.93 0.00 0.00 61.98 60.45 2rml s VAL 39 Cb -0.05 -3.53 0.38 0.00 -1.53 0.00 0.00 36.38 31.65 2rml s VAL 39 CO -0.02 -0.40 1.47 -3.20 -3.33 0.00 0.00 175.10 169.63 2rml n ASN 40 N -1.19 2.43 0.00 3.54 5.15 0.36 -4.90 115.26 120.65 2rml n ASN 40 Ca 0.08 -1.81 0.00 0.00 -0.60 0.00 0.00 54.58 52.25 2rml n ASN 40 Cb 0.53 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 2rml n ASN 40 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2rml n LEU 41 N 0.87 0.00 0.24 1.20 0.00 -1.26 -1.48 117.00 116.56 2rml n LEU 41 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.25 2rml n LEU 41 Cb 0.49 0.00 0.60 0.00 0.00 0.00 0.00 43.42 44.51 2rml n LEU 41 CO 0.15 0.00 1.05 0.00 0.00 0.00 0.00 177.39 178.60 2rml h ALA 42 N -0.40 1.94 -0.22 1.96 0.00 -1.96 0.57 119.26 121.14 2rml h ALA 42 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 42 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2rml h ALA 42 CO 0.00 0.05 0.00 2.41 0.00 0.00 0.00 179.25 181.71 2rml n THR 43 N -4.51 0.29 -1.25 0.00 -1.04 -0.55 -4.94 114.28 102.30 2rml n THR 43 Ca -0.02 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.05 61.56 2rml n THR 43 Cb 0.11 0.22 -0.04 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.25 -0.80 -4.91 -2.82 2.13 0.19 -4.92 120.64 109.75 2rml n GLU 44 Ca 0.12 0.75 -0.26 0.00 0.66 0.00 0.00 57.16 58.42 2rml n GLU 44 Cb 0.26 -4.66 -0.15 0.00 0.27 0.00 0.00 31.44 27.16 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 -2.21 1.61 -0.22 6.31 2.01 -1.26 -3.48 115.64 118.40 2rml s THR 45 Ca 0.00 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.96 2rml s THR 45 Cb 0.00 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 2rml s THR 45 CO 0.00 0.40 0.14 -0.44 -0.69 0.00 0.00 174.62 174.03 2rml s SER 46 N -0.64 6.15 -0.18 3.53 0.01 0.39 -0.48 113.70 122.48 2rml s SER 46 Ca 0.08 0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.46 2rml s SER 46 Cb -0.08 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 2rml s SER 46 CO -0.00 0.12 -0.01 0.20 0.41 0.00 0.00 173.24 173.96 2rml s ASN 47 N 0.71 4.87 0.01 2.44 0.01 -0.47 -1.44 114.94 121.06 2rml s ASN 47 Ca 0.08 -0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 2rml s ASN 47 Cb -0.12 -1.82 -0.01 0.00 0.41 0.00 0.00 41.25 39.71 2rml s ASN 47 CO 0.01 0.11 -0.05 0.68 -1.51 0.00 0.00 177.10 176.34 2rml s VAL 48 N 0.74 0.40 -0.07 1.60 -7.23 0.49 -0.82 120.40 115.52 2rml s VAL 48 Ca -0.00 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2rml s VAL 48 Cb -0.14 -0.38 0.02 0.00 0.56 0.00 0.00 36.38 36.44 2rml s VAL 48 CO 0.02 -0.01 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.13 2rml s ILE 49 N -0.40 0.66 0.07 -0.62 1.09 0.56 -0.48 121.20 122.08 2rml s ILE 49 Ca -0.01 -0.13 -0.16 0.00 -1.10 0.00 0.00 60.65 59.24 2rml s ILE 49 Cb -0.04 -0.70 0.03 0.00 -1.06 0.00 0.00 42.46 40.69 2rml s ILE 49 CO -0.00 0.28 0.38 -0.72 -0.10 0.00 0.00 174.94 174.78 2rml s TYR 50 N 1.29 -0.21 -0.06 3.97 1.13 -0.64 -0.70 117.35 122.13 2rml s TYR 50 Ca -0.05 0.04 -0.26 0.00 -1.41 0.00 0.00 57.07 55.40 2rml s TYR 50 Cb -0.14 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 40.90 2rml s TYR 50 CO -0.02 -0.61 0.82 0.34 -2.51 0.00 0.00 175.55 173.58 2rml s ASP 51 N -2.32 7.12 -1.25 -0.18 -1.08 -0.00 -0.67 116.67 118.28 2rml s ASP 51 Ca -0.02 1.35 -0.18 0.00 -0.52 0.00 0.00 52.55 53.18 2rml s ASP 51 Cb 0.00 -2.48 0.08 0.00 -1.46 0.00 0.00 42.92 39.07 2rml s ASP 51 CO -0.06 -0.22 1.66 -2.16 0.52 0.00 0.00 175.17 174.91 2rml s PRO 52 N 1.13 3.95 0.13 4.34 0.04 -1.26 -3.82 135.00 139.51 2rml s PRO 52 Ca 0.43 -1.98 0.00 0.00 0.04 0.00 0.00 61.00 59.49 2rml s PRO 52 Cb -0.19 -5.45 0.00 0.00 0.04 0.00 0.00 34.50 28.91 2rml s PRO 52 CO 0.20 -2.18 0.00 0.00 0.04 0.00 0.00 177.00 175.06 2rml n ALA 53 N 8.06 0.00 0.48 8.56 0.00 -1.26 -4.94 120.51 131.41 2rml n ALA 53 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 2rml n ALA 53 Cb 0.46 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.63 1.34 -3.58 0.00 -0.58 -1.25 -4.76 120.64 109.19 2rml n GLU 54 Ca 0.00 -0.71 -0.08 0.00 -0.42 0.00 0.00 57.16 55.95 2rml n GLU 54 Cb 0.00 -1.31 -0.04 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.82 0.00 0.23 2.62 2.01 -1.26 -1.81 115.64 116.61 2rml s THR 55 Ca 0.13 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2rml s THR 55 Cb 0.11 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2rml s THR 55 CO 0.03 0.00 0.09 -0.83 -0.69 0.00 0.00 174.62 173.22 2rml s GLY 56 N -1.46 1.56 -0.10 4.40 0.00 -1.26 -4.76 107.32 105.69 2rml s GLY 56 Ca 0.02 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 42.78 2rml s GLY 56 CO -0.02 -1.52 0.62 -0.84 0.00 0.00 0.00 173.10 171.34 2rml h THR 57 N 2.51 1.06 -0.10 0.90 2.02 -1.91 -3.33 112.91 114.07 2rml h THR 57 Ca -0.37 -1.62 0.02 0.00 0.77 0.00 0.00 66.41 65.21 2rml h THR 57 Cb 1.24 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.58 2rml h THR 57 CO 0.59 0.33 0.07 0.00 0.37 0.00 0.00 175.52 176.88 2rml h ALA 58 N -0.32 2.05 -0.00 6.16 0.00 -1.96 -1.09 119.26 124.09 2rml h ALA 58 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rml h ALA 58 Cb 0.59 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2rml h ALA 58 CO 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2rml h ALA 59 N 1.95 1.42 0.11 0.00 0.00 -1.99 -2.05 119.26 118.70 2rml h ALA 59 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2rml h ALA 59 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2rml h ALA 59 CO -0.00 -0.00 -0.05 0.82 0.00 0.00 0.00 179.25 180.01 2rml h ILE 60 N 0.00 1.07 -0.28 0.00 2.04 -1.29 -1.28 117.51 117.76 2rml h ILE 60 Ca 0.00 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 64.96 2rml h ILE 60 Cb 0.01 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2rml h ILE 60 CO -0.00 0.19 -0.26 0.06 0.00 0.00 0.00 178.15 178.14 2rml h GLN 61 N -0.53 0.56 -0.59 2.37 3.07 -1.65 -2.44 115.11 115.90 2rml h GLN 61 Ca -0.02 -0.22 0.03 0.00 0.09 0.00 0.00 58.65 58.54 2rml h GLN 61 Cb 0.43 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 27.92 2rml h GLN 61 CO 0.03 0.77 0.35 1.49 0.09 0.00 0.00 178.83 181.56 2rml h GLU 62 N 0.49 0.66 0.00 0.06 4.81 -1.33 0.57 114.58 119.84 2rml h GLU 62 Ca 0.07 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2rml h GLU 62 Cb 0.71 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2rml h GLU 62 CO 0.05 0.44 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.33 2rml h LYS 63 N 0.68 0.00 0.14 1.92 1.63 -1.08 -1.95 116.57 117.90 2rml h LYS 63 Ca 0.25 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 2rml h LYS 63 Cb 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2rml h LYS 63 CO -0.12 0.22 -0.07 0.82 -3.45 0.00 0.00 179.45 176.85 2rml h ILE 64 N 0.00 1.02 -0.66 2.00 2.04 -0.89 -3.29 117.51 117.72 2rml h ILE 64 Ca -0.00 -1.03 0.17 0.00 1.00 0.00 0.00 64.86 64.99 2rml h ILE 64 Cb 0.71 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 2rml h ILE 64 CO 0.03 0.23 0.46 -0.33 0.00 0.00 0.00 178.15 178.54 2rml h GLU 65 N -0.71 0.15 0.00 2.37 4.39 -0.79 -1.26 114.58 118.73 2rml h GLU 65 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2rml h GLU 65 Cb 0.52 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2rml h GLU 65 CO 0.03 0.10 0.13 0.87 -1.16 0.00 0.00 179.01 178.98 2rml h LYS 66 N 0.15 0.00 0.00 2.33 1.79 -1.42 -2.77 116.57 116.65 2rml h LYS 66 Ca 0.32 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.68 2rml h LYS 66 Cb 1.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 2rml h LYS 66 CO -0.05 0.00 -1.26 1.28 -1.08 0.00 0.00 179.45 178.34 2rml n LEU 67 N -2.91 0.86 0.00 2.94 7.99 -0.48 -4.98 117.00 120.43 2rml n LEU 67 Ca -0.02 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2rml n LEU 67 Cb 0.19 0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 2rml n LEU 67 CO 0.16 0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.68 2rml n GLY 68 N 1.32 0.73 3.81 -0.72 0.00 -1.05 -5.08 105.19 104.20 2rml n GLY 68 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.62 3.35 0.01 1.61 2.02 -1.26 -4.98 117.35 115.48 2rml s TYR 69 Ca 0.00 1.64 0.02 0.00 -0.37 0.00 0.00 57.07 58.35 2rml s TYR 69 Cb 0.00 -2.89 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 2rml s TYR 69 CO 0.00 -0.13 -0.05 -1.01 -1.57 0.00 0.00 175.55 172.79 2rml s HIS 70 N -2.05 0.47 0.54 2.71 3.76 -0.57 -3.72 115.29 116.44 2rml s HIS 70 Ca 0.60 -0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 55.11 2rml s HIS 70 Cb -0.12 -0.29 -0.06 0.00 1.11 0.00 0.00 32.58 33.22 2rml s HIS 70 CO 0.16 -0.04 1.06 0.54 -0.85 0.00 0.00 174.74 175.61 2rml s VAL 71 N -0.54 3.73 -0.52 -0.90 0.11 -1.26 -0.22 120.40 120.80 2rml s VAL 71 Ca -0.03 0.96 0.04 0.00 -2.93 0.00 0.00 61.98 60.03 2rml s VAL 71 Cb -0.05 -3.40 0.39 0.00 -1.53 0.00 0.00 36.38 31.79 2rml s VAL 71 CO -0.00 -0.35 1.13 1.33 -3.33 0.00 0.00 175.10 173.88 2rml n VAL 72 N -1.47 2.75 -2.91 2.04 0.24 -1.07 -4.70 118.33 113.21 2rml n VAL 72 Ca 0.09 -5.13 -0.33 0.00 -2.04 0.00 0.00 64.34 56.94 2rml n VAL 72 Cb 0.52 -1.31 -0.06 0.00 -1.47 0.00 0.00 33.84 31.52 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 -5.16 4.50 0.07 3.34 -4.23 -1.26 -4.70 115.64 108.19 2rml s THR 73 Ca 0.48 1.28 0.06 0.00 -1.18 0.00 0.00 61.69 62.33 2rml s THR 73 Cb 0.36 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 2rml s THR 73 CO -0.19 -0.30 -0.11 -0.70 -0.54 0.00 0.00 174.62 172.79 2rml s GLU 74 N -3.17 2.21 -0.19 3.99 2.12 0.50 -4.94 118.70 119.22 2rml s GLU 74 Ca 0.59 -0.95 -0.10 0.00 0.36 0.00 0.00 54.97 54.87 2rml s GLU 74 Cb -0.09 -2.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 2rml s GLU 74 CO 0.16 0.54 0.15 -1.59 -0.54 0.00 0.00 175.26 173.97 2rml s LYS 75 N -1.86 4.15 0.09 4.30 -2.85 -1.26 -1.61 119.74 120.70 2rml s LYS 75 Ca 0.19 -0.18 0.04 0.00 -1.00 0.00 0.00 55.97 55.02 2rml s LYS 75 Cb -0.11 -3.41 -0.04 0.00 -2.06 0.00 0.00 37.83 32.22 2rml s LYS 75 CO 0.10 0.32 -0.10 0.00 0.10 0.00 0.00 175.35 175.78 2rml s ALA 76 N 0.29 1.08 -0.06 0.59 0.00 -0.32 -4.99 121.76 118.36 2rml s ALA 76 Ca 0.09 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.92 2rml s ALA 76 Cb -0.11 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2rml s ALA 76 CO -0.01 -0.03 -0.12 -1.21 0.00 0.00 0.00 175.76 174.39 2rml s GLU 77 N -2.71 2.61 0.15 0.00 2.02 -1.26 -0.50 118.70 119.01 2rml s GLU 77 Ca 0.04 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.45 2rml s GLU 77 Cb -0.03 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 2rml s GLU 77 CO -0.00 0.62 -0.13 -0.06 0.02 0.00 0.00 175.26 175.71 2rml s PHE 78 N -0.72 1.45 -0.14 1.61 0.40 -0.23 -1.02 117.98 119.34 2rml s PHE 78 Ca 0.11 -0.61 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 2rml s PHE 78 Cb -0.11 -0.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 2rml s PHE 78 CO 0.01 0.19 -0.02 0.34 0.70 0.00 0.00 175.22 176.44 2rml s ASP 79 N -2.87 4.96 -0.54 1.36 2.15 -0.13 -0.98 116.67 120.63 2rml s ASP 79 Ca 0.15 -0.04 -0.19 0.00 0.43 0.00 0.00 52.55 52.90 2rml s ASP 79 Cb -0.02 -1.69 0.08 0.00 -0.30 0.00 0.00 42.92 40.99 2rml s ASP 79 CO 0.03 0.23 0.63 -0.63 -0.17 0.00 0.00 175.17 175.26 2rml s ILE 80 N 0.03 4.89 -1.28 4.11 1.09 0.43 -1.37 121.20 129.10 2rml s ILE 80 Ca 0.01 -0.78 -0.12 0.00 -1.10 0.00 0.00 60.65 58.66 2rml s ILE 80 Cb -0.13 -4.36 0.14 0.00 -1.06 0.00 0.00 42.46 37.05 2rml s ILE 80 CO 0.02 -0.92 1.76 1.21 -0.10 0.00 0.00 174.94 176.92 2rml n GLU 81 N 6.12 3.41 0.00 2.79 2.13 -1.14 -3.88 120.64 130.07 2rml n GLU 81 Ca -0.09 -3.50 0.00 0.00 0.66 0.00 0.00 57.16 54.24 2rml n GLU 81 Cb 0.44 -3.06 0.00 0.00 0.27 0.00 0.00 31.44 29.08 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rml n GLY 82 N 3.63 0.03 3.85 8.31 0.00 -1.26 -4.14 105.19 115.61 2rml n GLY 82 Ca 0.41 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 3.96 0.00 1.61 0.23 -1.25 -4.96 119.30 118.89 2rml s MET 83 Ca 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 55.69 55.14 2rml s MET 83 Cb 0.00 -2.83 0.00 0.00 -1.53 0.00 0.00 34.83 30.47 2rml s MET 83 CO 0.00 0.41 0.30 0.25 -2.03 0.00 0.00 175.02 173.96 2rml n THR 84 N 0.50 0.05 -3.62 3.16 -2.24 -1.26 -4.94 114.28 105.94 2rml n THR 84 Ca -0.03 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.63 2rml n THR 84 Cb 0.52 1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 70.13 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 2.11 2.16 -0.46 0.00 0.00 -1.98 0.22 119.26 121.30 2rml h ALA 86 Ca -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2rml h ALA 86 Cb 1.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2rml h ALA 86 CO 0.23 -0.43 0.07 0.00 0.00 0.00 0.00 179.25 179.12 2rml h ALA 87 N 1.62 1.26 -0.16 0.00 0.00 -1.98 -0.83 119.26 119.16 2rml h ALA 87 Ca 0.46 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 2rml h ALA 87 Cb 1.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2rml h ALA 87 CO -0.17 0.50 -0.60 0.00 0.00 0.00 0.00 179.25 178.98 2rml h ALA 89 N 0.94 -0.66 -0.85 0.00 0.00 -1.28 -3.27 119.26 114.14 2rml h ALA 89 Ca -0.00 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 2rml h ALA 89 Cb 1.15 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 2rml h ALA 89 CO 0.11 -0.79 0.44 -0.97 0.00 0.00 0.00 179.25 178.04 2rml h ASN 90 N -0.81 0.54 -0.00 0.00 -0.00 -1.11 -1.00 115.58 113.21 2rml h ASN 90 Ca -0.07 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 2rml h ASN 90 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 2rml h ASN 90 CO 0.11 0.23 0.00 0.03 -0.00 0.00 0.00 177.43 177.81 2rml h ARG 91 N 0.64 0.00 0.01 6.67 3.08 -1.28 -1.43 114.38 122.07 2rml h ARG 91 Ca 0.46 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 60.12 2rml h ARG 91 Cb 0.64 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 2rml h ARG 91 CO -0.35 0.00 -2.21 0.44 -1.07 0.00 0.00 179.97 176.78 2rml n ILE 92 N -3.43 1.55 -0.22 2.04 -5.35 -0.76 -4.68 119.36 108.50 2rml n ILE 92 Ca -0.03 -0.39 -0.01 0.00 -0.27 0.00 0.00 62.75 62.06 2rml n ILE 92 Cb 0.08 -1.79 0.06 0.00 -1.74 0.00 0.00 39.64 36.25 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 -0.65 -0.03 0.00 6.28 4.22 -0.86 -0.51 114.58 123.03 2rml h GLU 93 Ca -0.57 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.87 2rml h GLU 93 Cb 1.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2rml h GLU 93 CO -0.25 -0.02 0.01 -0.22 -2.18 0.00 0.00 179.01 176.35 2rml h LYS 94 N -0.03 0.00 0.00 1.92 3.11 -1.53 -1.53 116.57 118.50 2rml h LYS 94 Ca 0.30 0.00 -0.37 0.00 -2.81 0.00 0.00 60.65 57.78 2rml h LYS 94 Cb 0.50 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.67 2rml h LYS 94 CO -0.68 0.00 -2.38 -2.13 -2.81 0.00 0.00 179.45 171.44 2rml n ARG 95 N -2.98 0.66 0.06 1.90 0.00 -0.48 -4.54 116.66 111.27 2rml n ARG 95 Ca -0.03 0.12 0.12 0.00 -0.00 0.00 0.00 57.85 58.06 2rml n ARG 95 Cb 0.08 -1.49 0.59 0.00 0.00 0.00 0.00 32.46 31.63 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 0.00 0.16 0.00 6.15 -0.00 -0.36 -3.34 115.31 117.92 2rml h LEU 96 Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 2rml h LEU 96 Cb 1.91 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 42.54 2rml h LEU 96 CO -0.07 0.10 0.23 0.59 -0.00 0.00 0.00 178.44 179.30 2rml n ASN 97 N -4.47 0.00 -0.78 -0.43 3.02 -0.65 -2.50 115.26 109.45 2rml n ASN 97 Ca 0.05 0.07 -0.04 0.00 -0.03 0.00 0.00 54.58 54.63 2rml n ASN 97 Cb 0.31 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 2rml n ASN 97 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2rml n LYS 98 N -0.92 0.00 -2.14 3.52 2.85 -1.25 -4.68 118.16 115.53 2rml n LYS 98 Ca 0.00 -0.58 -0.35 0.00 -1.05 0.00 0.00 58.31 56.34 2rml n LYS 98 Cb 0.23 0.47 -0.04 0.00 -0.65 0.00 0.00 35.03 35.04 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2rml n ILE 99 N 0.00 2.61 -3.23 0.58 5.41 -1.04 -4.65 119.36 119.03 2rml n ILE 99 Ca -0.16 -2.67 -0.16 0.00 1.00 0.00 0.00 62.75 60.76 2rml n ILE 99 Cb 0.51 -2.25 0.06 0.00 -0.71 0.00 0.00 39.64 37.25 2rml n ILE 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2rml n GLU 100 N 8.13 -5.64 0.00 0.38 -0.58 -1.26 -0.23 120.64 121.44 2rml n GLU 100 Ca 0.47 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.84 2rml n GLU 100 Cb 0.46 -5.05 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rml n GLY 101 N -1.43 1.05 3.72 0.62 0.00 -1.02 -4.41 105.19 103.72 2rml n GLY 101 Ca -0.08 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 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -1.40 4.25 -0.01 1.61 1.01 0.68 -0.62 120.40 125.93 2rml s VAL 102 Ca 0.00 1.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 2rml s VAL 102 Cb 0.00 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2rml s VAL 102 CO 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 175.10 175.24 2rml n ALA 103 N 3.64 0.04 -2.53 5.51 0.00 0.25 -2.95 120.51 124.46 2rml n ALA 103 Ca 0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 2rml n ALA 103 Cb 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.98 1.91 -0.47 0.00 0.01 -0.59 -4.03 114.94 107.78 2rml s ASN 104 Ca -0.01 -0.77 0.06 0.00 -0.71 0.00 0.00 52.86 51.43 2rml s ASN 104 Cb 0.00 -0.06 0.23 0.00 0.41 0.00 0.00 41.25 41.83 2rml s ASN 104 CO 0.02 -0.13 0.76 0.00 -1.51 0.00 0.00 177.10 176.23 2rml n ALA 105 N 0.69 -0.62 -1.98 0.60 0.00 -1.26 -0.51 120.51 117.44 2rml n ALA 105 Ca -0.17 -1.76 -0.27 0.00 0.00 0.00 0.00 53.44 51.24 2rml n ALA 105 Cb 0.56 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 0.39 2.45 0.16 0.00 0.04 -1.20 -4.83 135.00 132.01 2rml s PRO 106 Ca 0.32 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 2rml s PRO 106 Cb 0.16 -4.91 -0.08 0.00 0.04 0.00 0.00 34.50 29.71 2rml s PRO 106 CO -0.18 -3.39 1.30 0.08 0.04 0.00 0.00 177.00 174.85 2rml s VAL 107 N 10.51 3.36 -0.43 -0.36 1.01 -1.26 -3.59 120.40 129.64 2rml s VAL 107 Ca 0.73 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 63.58 2rml s VAL 107 Cb -0.09 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.63 2rml s VAL 107 CO 0.04 0.13 0.62 0.21 0.00 0.00 0.00 175.10 176.11 2rml s ASN 108 N 0.58 6.32 0.00 3.32 3.84 0.57 -4.96 114.94 124.60 2rml s ASN 108 Ca 0.58 -0.33 0.29 0.00 0.21 0.00 0.00 52.86 53.62 2rml s ASN 108 Cb -0.35 -2.31 1.34 0.00 -0.55 0.00 0.00 41.25 39.37 2rml s ASN 108 CO 0.35 -0.74 1.96 2.22 -2.79 0.00 0.00 177.10 178.10 2rml n PHE 109 N 6.17 0.00 -0.10 0.43 1.16 -1.26 -1.92 117.46 121.94 2rml n PHE 109 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.43 2rml n PHE 109 Cb 0.48 -0.35 -0.10 0.00 -1.61 0.00 0.00 39.48 37.91 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 -1.33 1.57 0.05 1.98 0.00 -1.26 -4.58 120.51 116.93 2rml n ALA 110 Ca 0.11 -0.89 0.07 0.00 0.00 0.00 0.00 53.44 52.73 2rml n ALA 110 Cb 0.28 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.68 2rml n ALA 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rml n LEU 111 N -3.03 0.61 -0.07 0.00 4.77 -1.25 -4.99 117.00 113.04 2rml n LEU 111 Ca -0.35 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 55.87 2rml n LEU 111 Cb 0.90 0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 42.00 2rml n LEU 111 CO 0.22 -0.03 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.63 2rml n GLU 112 N -2.64 -0.13 -3.34 3.23 1.02 -0.81 -5.00 120.64 112.97 2rml n GLU 112 Ca -0.05 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.18 2rml n GLU 112 Cb 0.66 -3.67 0.03 0.00 -0.02 0.00 0.00 31.44 28.44 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 -2.00 2.03 -0.15 2.62 -4.23 -1.20 -0.43 115.64 112.29 2rml s THR 113 Ca 0.00 -1.18 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 2rml s THR 113 Cb 0.00 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.68 2rml s THR 113 CO 0.00 0.00 0.38 0.54 -0.54 0.00 0.00 174.62 175.00 2rml s VAL 114 N -2.68 -0.01 -0.22 2.29 0.11 -0.15 -0.31 120.40 119.42 2rml s VAL 114 Ca 0.52 0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.44 2rml s VAL 114 Cb -0.05 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2rml s VAL 114 CO 0.32 0.01 0.43 -0.89 -3.33 0.00 0.00 175.10 171.64 2rml s THR 115 N 0.56 5.16 -0.10 5.04 2.01 -1.24 -1.06 115.64 126.01 2rml s THR 115 Ca -0.03 0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.72 2rml s THR 115 Cb -0.05 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2rml s THR 115 CO -0.03 0.20 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.26 2rml s VAL 116 N 1.63 2.97 -0.24 3.82 1.01 0.35 -3.26 120.40 126.68 2rml s VAL 116 Ca 0.19 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2rml s VAL 116 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2rml s VAL 116 CO 0.09 0.55 0.06 -0.70 0.00 0.00 0.00 175.10 175.09 2rml s GLU 117 N -0.01 3.66 0.15 2.72 2.12 0.34 -1.17 118.70 126.50 2rml s GLU 117 Ca -0.04 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 54.57 2rml s GLU 117 Cb -0.14 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.03 2rml s GLU 117 CO 0.04 -0.14 0.82 1.52 -0.54 0.00 0.00 175.26 176.96 2rml s TYR 118 N 1.47 -0.27 -0.50 5.30 1.13 -0.63 -0.58 117.35 123.26 2rml s TYR 118 Ca 0.06 -0.01 -0.18 0.00 -1.41 0.00 0.00 57.07 55.52 2rml s TYR 118 Cb -0.15 0.62 0.06 0.00 -1.10 0.00 0.00 41.96 41.39 2rml s TYR 118 CO 0.03 -0.86 0.57 -0.80 -2.51 0.00 0.00 175.55 171.98 2rml s ASN 119 N -2.79 6.21 0.00 -0.18 -0.87 0.21 -0.37 114.94 117.14 2rml s ASN 119 Ca 0.08 -1.01 0.01 0.00 -1.57 0.00 0.00 52.86 50.37 2rml s ASN 119 Cb -0.02 -2.26 0.06 0.00 -0.02 0.00 0.00 41.25 39.00 2rml s ASN 119 CO -0.02 -0.83 0.51 -0.81 -2.57 0.00 0.00 177.10 173.37 2rml n PRO 120 N 5.94 0.45 -0.00 -0.60 -0.04 -1.26 -2.19 135.00 137.30 2rml n PRO 120 Ca -0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 2rml n PRO 120 Cb 0.45 -1.03 0.59 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.53 1.56 0.00 0.54 4.01 -1.26 -4.69 118.16 117.78 2rml n LYS 121 Ca 0.01 -0.81 0.00 0.00 -0.51 0.00 0.00 58.31 57.00 2rml n LYS 121 Cb 0.00 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 2rml n LYS 121 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2rml n GLU 122 N -0.02 0.00 -2.89 1.97 0.00 -1.11 -5.11 120.64 113.49 2rml n GLU 122 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.95 2rml n GLU 122 Cb 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 31.44 31.69 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2rml s ALA 123 N -1.38 3.26 0.34 4.31 0.00 -0.93 -5.04 121.76 122.32 2rml s ALA 123 Ca 0.00 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.37 2rml s ALA 123 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2rml s ALA 123 CO 0.00 -0.15 0.14 -1.54 0.00 0.00 0.00 175.76 174.21 2rml s SER 124 N 0.83 4.70 0.50 0.00 1.04 -1.26 -4.39 113.70 115.12 2rml s SER 124 Ca 0.44 -0.75 0.21 0.00 0.48 0.00 0.00 55.95 56.32 2rml s SER 124 Cb -0.19 -0.75 1.30 0.00 0.10 0.00 0.00 66.02 66.47 2rml s SER 124 CO 0.23 -0.28 2.08 0.58 0.98 0.00 0.00 173.24 176.83 2rml h VAL 125 N 1.56 0.86 -0.35 5.02 2.07 -1.99 -1.96 116.25 121.46 2rml h VAL 125 Ca -0.44 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 66.51 2rml h VAL 125 Cb 1.25 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2rml h VAL 125 CO 0.63 0.11 -0.40 0.28 0.02 0.00 0.00 177.57 178.21 2rml h SER 126 N 0.00 0.91 -0.24 0.57 0.02 -1.98 -1.30 113.55 111.53 2rml h SER 126 Ca -0.00 -0.42 -0.14 0.00 -0.84 0.00 0.00 61.79 60.38 2rml h SER 126 Cb 0.23 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2rml h SER 126 CO 0.01 1.20 -0.37 0.44 -1.14 0.00 0.00 176.83 176.97 2rml h ASP 127 N 0.69 0.82 -0.49 3.07 3.32 -1.83 0.16 116.42 122.16 2rml h ASP 127 Ca 0.05 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 2rml h ASP 127 Cb 0.98 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 2rml h ASP 127 CO 0.09 1.10 0.28 -0.07 -1.72 0.00 0.00 179.24 178.92 2rml h LEU 128 N 0.64 0.60 -0.45 1.55 3.38 -1.37 -0.06 115.31 119.61 2rml h LEU 128 Ca 0.06 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2rml h LEU 128 Cb 0.92 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2rml h LEU 128 CO 0.08 0.51 0.20 0.11 0.09 0.00 0.00 178.44 179.43 2rml h LYS 129 N 0.65 0.39 0.00 1.13 1.79 -0.95 -0.80 116.57 118.78 2rml h LYS 129 Ca 0.17 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 2rml h LYS 129 Cb 0.03 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2rml h LYS 129 CO -0.03 0.26 -0.20 0.93 -1.08 0.00 0.00 179.45 179.33 2rml h GLU 130 N 0.40 0.00 0.16 3.15 5.08 -0.21 0.10 114.58 123.27 2rml h GLU 130 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2rml h GLU 130 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2rml h GLU 130 CO -0.17 0.20 -0.08 0.00 -1.00 0.00 0.00 179.01 177.96 2rml h ALA 131 N 1.80 -0.22 0.00 3.43 0.00 -0.76 -3.35 119.26 120.16 2rml h ALA 131 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2rml h ALA 131 Cb 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2rml h ALA 131 CO 0.03 -0.36 -0.22 0.28 0.00 0.00 0.00 179.25 178.97 2rml h VAL 132 N -0.74 0.57 -0.83 0.00 2.07 -0.87 -3.22 116.25 113.24 2rml h VAL 132 Ca -0.02 -1.09 0.08 0.00 0.82 0.00 0.00 66.70 66.48 2rml h VAL 132 Cb 0.51 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 2rml h VAL 132 CO 0.04 0.22 0.54 -0.78 0.02 0.00 0.00 177.57 177.61 2rml h ASP 133 N 0.00 0.76 1.41 0.57 3.58 -0.94 -0.53 116.42 121.28 2rml h ASP 133 Ca -0.00 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2rml h ASP 133 Cb 0.72 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2rml h ASP 133 CO 0.03 0.47 -0.09 0.50 -2.88 0.00 0.00 179.24 177.27 2rml h LYS 134 N 0.86 0.00 -0.01 0.28 3.64 -1.73 -2.52 116.57 117.08 2rml h LYS 134 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2rml h LYS 134 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2rml h LYS 134 CO -0.14 0.09 -0.24 1.28 -2.27 0.00 0.00 179.45 178.17 2rml n LEU 135 N -3.16 1.51 0.00 5.20 7.99 -0.65 -5.01 117.00 122.87 2rml n LEU 135 Ca 0.02 -0.48 0.00 0.00 -0.01 0.00 0.00 56.01 55.54 2rml n LEU 135 Cb 0.45 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2rml n LEU 135 CO 0.32 0.27 0.00 0.61 -1.51 0.00 0.00 177.39 177.08 2rml n GLY 136 N 1.33 3.25 3.29 -0.72 0.00 -0.30 -5.06 105.19 106.98 2rml n GLY 136 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.10 -3.89 -4.34 1.61 4.01 -1.22 -4.91 117.16 107.32 2rml n TYR 137 Ca 0.00 -0.96 -0.18 0.00 -0.16 0.00 0.00 57.90 56.60 2rml n TYR 137 Cb 0.00 -0.98 -0.10 0.00 -0.31 0.00 0.00 39.34 37.95 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 -5.40 1.31 -0.21 -0.72 0.00 -1.26 -4.44 119.74 109.03 2rml s LYS 138 Ca 0.66 -1.61 0.02 0.00 0.00 0.00 0.00 55.97 55.04 2rml s LYS 138 Cb -0.04 -0.96 0.03 0.00 0.00 0.00 0.00 37.83 36.86 2rml s LYS 138 CO 0.48 0.10 -0.16 -0.51 0.00 0.00 0.00 175.35 175.26 2rml s LEU 139 N -3.31 2.59 0.40 2.77 1.43 -1.26 -2.87 118.68 118.43 2rml s LEU 139 Ca 0.23 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 2rml s LEU 139 Cb 0.02 -1.49 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 2rml s LEU 139 CO 0.07 -0.07 0.78 -0.54 0.23 0.00 0.00 176.35 176.81 2rml s LYS 140 N 1.23 3.84 -0.03 1.70 1.02 -0.47 -4.95 119.74 122.09 2rml s LYS 140 Ca -0.00 0.55 -0.05 0.00 0.02 0.00 0.00 55.97 56.49 2rml s LYS 140 Cb -0.16 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2rml s LYS 140 CO -0.10 -0.01 0.20 -0.51 -0.92 0.00 0.00 175.35 174.01 2rml s LEU 141 N -3.68 4.38 -0.27 3.17 1.43 -1.26 -0.95 118.68 121.49 2rml s LEU 141 Ca 0.52 0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.91 2rml s LEU 141 Cb -0.10 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2rml s LEU 141 CO 0.28 0.29 0.37 -0.75 0.23 0.00 0.00 176.35 176.77 2rml s LYS 142 N -1.70 4.02 0.00 1.70 2.47 -0.18 -1.51 119.74 124.54 2rml s LYS 142 Ca 0.25 0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 2rml s LYS 142 Cb -0.13 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.59 2rml s LYS 142 CO 0.15 -0.26 0.00 0.41 0.16 0.00 0.00 175.35 175.81 2rml n GLY 143 N 4.65 1.25 0.00 5.54 0.00 -1.26 -4.62 105.19 110.75 2rml n GLY 143 Ca -0.09 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 0.37 0.00 1.61 1.02 -1.26 -4.16 120.64 118.22 2rml n GLU 144 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2rml n GLU 144 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.15 0.00 0.00 3.49 6.02 -1.07 -4.86 117.38 119.81 2rml n GLN 145 Ca 0.10 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.23 2rml n GLN 145 Cb 0.10 0.00 0.57 0.00 1.02 0.00 0.00 30.24 31.92 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 -0.75 0.94 0.00 1.08 2.03 -0.57 -4.99 116.55 114.29 2rml n ASP 146 Ca 0.00 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.25 2rml n ASP 146 Cb 0.00 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2rml n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04