#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 2.76 0.00 4.03 2.01 -1.26 -5.09 118.68 121.13 2rml s LEU 2 Ca 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 54.13 53.47 2rml s LEU 2 Cb 0.00 -1.48 0.00 0.00 0.01 0.00 0.00 46.19 44.72 2rml s LEU 2 CO 0.00 0.12 0.00 -1.54 1.01 0.00 0.00 176.35 175.94 2rml n SER 3 N 0.24 0.00 -3.53 2.29 3.41 -1.26 -4.85 113.62 109.92 2rml n SER 3 Ca -0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 2rml n SER 3 Cb 0.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 2rml n SER 3 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2rml s GLU 4 N 0.00 0.74 0.14 4.33 2.12 -1.26 -5.11 118.70 119.66 2rml s GLU 4 Ca 0.00 -1.51 -0.31 0.00 0.36 0.00 0.00 54.97 53.51 2rml s GLU 4 Cb 0.00 -1.57 -0.08 0.00 0.26 0.00 0.00 34.13 32.74 2rml s GLU 4 CO 0.00 -1.20 1.32 -0.65 -0.54 0.00 0.00 175.26 174.19 2rml s GLN 5 N 0.87 4.37 0.25 4.30 -0.21 -1.26 -4.24 119.66 123.75 2rml s GLN 5 Ca 0.18 2.01 0.01 0.00 0.02 0.00 0.00 55.36 57.58 2rml s GLN 5 Cb -0.23 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 2rml s GLN 5 CO 0.00 -0.32 0.22 0.15 -2.12 0.00 0.00 175.29 173.23 2rml s LYS 6 N 0.55 1.43 0.23 2.91 1.02 0.06 -4.97 119.74 120.97 2rml s LYS 6 Ca 0.60 -1.73 0.10 0.00 0.02 0.00 0.00 55.97 54.96 2rml s LYS 6 Cb -0.35 0.31 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 2rml s LYS 6 CO 0.33 -0.51 -0.18 -1.83 -0.92 0.00 0.00 175.35 172.24 2rml s GLU 7 N -3.87 1.50 -0.11 1.68 1.03 -1.26 -1.51 118.70 116.16 2rml s GLU 7 Ca 0.38 -1.65 -0.30 0.00 0.03 0.00 0.00 54.97 53.44 2rml s GLU 7 Cb 0.05 -1.52 0.08 0.00 -0.80 0.00 0.00 34.13 31.94 2rml s GLU 7 CO 0.17 0.28 0.74 -1.50 -1.33 0.00 0.00 175.26 173.62 2rml s ILE 8 N -2.52 0.00 0.06 1.83 2.07 -0.61 -4.99 121.20 117.03 2rml s ILE 8 Ca 0.25 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.52 2rml s ILE 8 Cb -0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 2rml s ILE 8 CO 0.11 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.05 2rml s ALA 9 N -0.86 0.77 0.02 1.50 0.00 -1.26 -0.45 121.76 121.47 2rml s ALA 9 Ca -0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 2rml s ALA 9 Cb -0.01 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.15 2rml s ALA 9 CO 0.07 0.01 0.32 -1.64 0.00 0.00 0.00 175.76 174.52 2rml s MET 10 N -1.83 0.78 -0.05 0.00 -1.94 -0.41 -3.71 119.30 112.14 2rml s MET 10 Ca -0.06 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.25 2rml s MET 10 Cb -0.09 0.34 -0.04 0.00 2.01 0.00 0.00 34.83 37.06 2rml s MET 10 CO 0.00 -0.24 1.23 -1.14 -0.01 0.00 0.00 175.02 174.87 2rml s GLN 11 N -2.10 4.34 -0.14 2.03 -0.44 -1.26 -0.53 119.66 121.57 2rml s GLN 11 Ca -0.08 1.72 0.00 0.00 -2.50 0.00 0.00 55.36 54.50 2rml s GLN 11 Cb -0.02 -3.56 -0.01 0.00 -1.64 0.00 0.00 33.01 27.78 2rml s GLN 11 CO -0.00 -0.46 -0.14 0.54 0.50 0.00 0.00 175.29 175.72 2rml s VAL 12 N 2.23 2.92 0.18 1.34 0.11 0.47 -4.47 120.40 123.17 2rml s VAL 12 Ca 0.57 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 2rml s VAL 12 Cb -0.26 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.33 2rml s VAL 12 CO 0.23 0.52 -0.06 -0.44 -3.33 0.00 0.00 175.10 172.01 2rml s SER 13 N 0.49 4.41 0.00 3.54 0.01 -0.06 -4.77 113.70 117.32 2rml s SER 13 Ca -0.10 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2rml s SER 13 Cb -0.16 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.26 2rml s SER 13 CO 0.04 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2rml n GLY 14 N -0.06 1.27 1.10 3.44 0.00 -1.26 -1.02 105.19 108.66 2rml n GLY 14 Ca -0.10 -0.38 -0.00 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 -1.10 2.13 -1.77 1.61 2.81 -1.26 -4.82 117.12 114.72 2rml n MET 15 Ca 0.00 -1.09 -0.41 0.00 -1.81 0.00 0.00 57.70 54.39 2rml n MET 15 Cb 0.20 -1.68 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 2rml n MET 15 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2rml n THR 16 N 0.14 4.02 -0.89 2.03 -2.24 -1.26 -3.38 114.28 112.71 2rml n THR 16 Ca 0.13 -3.31 0.00 0.00 -2.27 0.00 0.00 64.05 58.59 2rml n THR 16 Cb 0.67 -2.51 0.00 0.00 -2.10 0.00 0.00 70.33 66.39 2rml n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rml n ALA 18 N 0.00 0.00 0.02 0.00 0.00 -1.22 -4.38 120.51 114.94 2rml n ALA 18 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2rml n ALA 18 Cb 0.20 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.72 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml n ALA 19 N 0.00 0.98 -0.28 0.00 0.00 -1.26 -1.14 120.51 118.81 2rml n ALA 19 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.56 2rml n ALA 19 Cb 0.00 -1.02 0.24 0.00 0.00 0.00 0.00 19.45 18.67 2rml n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 21 N 1.75 -0.32 -0.99 0.00 0.00 -1.44 -0.90 119.26 117.35 2rml h ALA 21 Ca 0.50 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.44 2rml h ALA 21 Cb 0.96 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 2rml h ALA 21 CO -0.66 -0.74 0.65 0.00 0.00 0.00 0.00 179.25 178.50 2rml h ALA 22 N 0.47 1.34 -0.71 0.00 0.00 -1.60 -1.85 119.26 116.90 2rml h ALA 22 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2rml h ALA 22 Cb 0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2rml h ALA 22 CO -0.22 0.58 0.33 0.00 0.00 0.00 0.00 179.25 179.94 2rml h ARG 23 N 1.28 1.03 0.23 0.00 2.47 -0.53 -1.85 114.38 117.01 2rml h ARG 23 Ca 0.39 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2rml h ARG 23 Cb -0.03 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 2rml h ARG 23 CO -0.11 0.82 -0.11 0.82 0.56 0.00 0.00 179.97 181.94 2rml h ILE 24 N 1.00 0.82 0.05 2.04 1.08 -0.59 -1.57 117.51 120.33 2rml h ILE 24 Ca 0.24 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 2rml h ILE 24 Cb 0.14 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2rml h ILE 24 CO -0.03 0.15 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.23 2rml h GLU 25 N -0.72 -0.06 -0.04 2.37 5.08 -1.39 -0.87 114.58 118.95 2rml h GLU 25 Ca -0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2rml h GLU 25 Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2rml h GLU 25 CO 0.05 0.10 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.54 2rml h LYS 26 N -0.22 0.09 -0.15 2.33 3.64 -1.47 -1.24 116.57 119.55 2rml h LYS 26 Ca -0.01 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 2rml h LYS 26 Cb 0.19 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2rml h LYS 26 CO 0.01 0.48 -0.53 0.78 -2.27 0.00 0.00 179.45 177.92 2rml h GLY 27 N 1.22 0.48 0.66 5.01 0.00 -1.02 -3.01 103.07 106.40 2rml h GLY 27 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 2rml h GLY 27 CO 0.06 0.49 -0.13 1.41 0.00 0.00 0.00 176.54 178.37 2rml h LEU 28 N 0.34 0.28 0.00 3.11 3.38 -1.06 -3.33 115.31 118.03 2rml h LEU 28 Ca 0.01 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2rml h LEU 28 Cb 1.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2rml h LEU 28 CO 0.09 0.74 0.11 1.17 0.09 0.00 0.00 178.44 180.65 2rml n LYS 29 N -4.61 0.00 0.21 1.13 4.81 -0.48 -1.14 118.16 118.08 2rml n LYS 29 Ca -0.07 0.37 0.11 0.00 -0.87 0.00 0.00 58.31 57.85 2rml n LYS 29 Cb 0.35 -1.61 0.15 0.00 0.02 0.00 0.00 35.03 33.95 2rml n LYS 29 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 2rml h ARG 30 N 0.00 0.00 -5.62 1.64 -0.00 -1.65 -3.45 114.38 105.30 2rml h ARG 30 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 59.98 59.38 2rml h ARG 30 Cb 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 29.97 30.10 2rml h ARG 30 CO 0.00 0.03 0.11 0.00 -0.00 0.00 0.00 179.97 180.11 2rml s MET 31 N -3.20 4.19 0.44 0.08 0.23 -0.29 -4.97 119.30 115.77 2rml s MET 31 Ca 0.06 0.59 0.30 0.00 -1.03 0.00 0.00 55.69 55.61 2rml s MET 31 Cb 0.05 -3.59 1.46 0.00 -1.53 0.00 0.00 34.83 31.22 2rml s MET 31 CO 0.68 -0.26 1.91 -1.00 -2.03 0.00 0.00 175.02 174.33 2rml h PRO 32 N 7.55 0.00 0.00 3.16 0.13 -1.88 -1.18 132.00 139.78 2rml h PRO 32 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2rml h PRO 32 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2rml h PRO 32 CO 0.77 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 2rml n GLY 33 N -0.58 -1.29 3.77 1.56 0.00 -1.26 -4.74 105.19 102.65 2rml n GLY 33 Ca -0.00 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2rml n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rml s VAL 34 N -3.06 5.00 -0.20 1.61 0.11 -0.45 -0.65 120.40 122.76 2rml s VAL 34 Ca 0.09 1.08 -0.21 0.00 -2.93 0.00 0.00 61.98 60.01 2rml s VAL 34 Cb 0.13 -3.86 -0.20 0.00 -1.53 0.00 0.00 36.38 30.92 2rml s VAL 34 CO 0.41 0.43 0.26 0.00 -3.33 0.00 0.00 175.10 172.87 2rml h THR 35 N 4.18 0.96 -3.11 5.04 1.03 -1.31 -3.48 112.91 116.22 2rml h THR 35 Ca -0.45 -2.20 -0.16 0.00 -0.01 0.00 0.00 66.41 63.59 2rml h THR 35 Cb 1.20 2.31 -0.25 0.00 -1.07 0.00 0.00 68.15 70.34 2rml h THR 35 CO 0.69 0.36 -0.41 -1.81 -0.01 0.00 0.00 175.52 174.35 2rml s ASP 36 N -6.83 -0.26 -0.04 0.00 1.01 -0.67 -5.05 116.67 104.83 2rml s ASP 36 Ca -0.28 0.49 0.03 0.00 0.71 0.00 0.00 52.55 53.50 2rml s ASP 36 Cb 0.05 0.52 0.01 0.00 1.01 0.00 0.00 42.92 44.51 2rml s ASP 36 CO 0.61 -0.11 -0.12 0.00 0.21 0.00 0.00 175.17 175.76 2rml s ALA 37 N 0.04 1.13 -0.14 5.23 0.00 -1.26 -0.73 121.76 126.03 2rml s ALA 37 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 2rml s ALA 37 Cb -0.02 -0.45 0.05 0.00 0.00 0.00 0.00 23.12 22.70 2rml s ALA 37 CO 0.01 0.15 0.08 -0.80 0.00 0.00 0.00 175.76 175.20 2rml s ASN 38 N 0.36 2.07 -0.18 0.00 0.01 -0.35 -4.87 114.94 111.97 2rml s ASN 38 Ca -0.08 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.59 2rml s ASN 38 Cb -0.12 -0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.29 2rml s ASN 38 CO 0.02 -0.32 -0.04 0.54 -1.51 0.00 0.00 177.10 175.79 2rml s VAL 39 N 2.14 3.66 -0.31 1.60 0.11 -1.26 -1.04 120.40 125.31 2rml s VAL 39 Ca 0.03 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2rml s VAL 39 Cb -0.15 -2.63 0.04 0.00 -1.53 0.00 0.00 36.38 32.11 2rml s VAL 39 CO -0.08 0.46 0.04 0.21 -3.33 0.00 0.00 175.10 172.40 2rml s ASN 40 N 0.86 5.01 0.20 3.54 3.84 0.12 -5.00 114.94 123.51 2rml s ASN 40 Ca -0.01 -1.14 -0.07 0.00 0.21 0.00 0.00 52.86 51.86 2rml s ASN 40 Cb -0.15 -1.78 0.14 0.00 -0.55 0.00 0.00 41.25 38.92 2rml s ASN 40 CO 0.01 -0.26 1.67 -0.07 -2.79 0.00 0.00 177.10 175.66 2rml h LEU 41 N 8.10 0.98 -1.40 3.21 3.38 -1.94 -0.72 115.31 126.91 2rml h LEU 41 Ca -0.24 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 2rml h LEU 41 Cb 1.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2rml h LEU 41 CO 0.57 1.04 -0.24 0.00 0.09 0.00 0.00 178.44 179.89 2rml h ALA 42 N 1.06 1.17 -0.16 1.53 0.00 -1.96 -1.56 119.26 119.34 2rml h ALA 42 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2rml h ALA 42 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2rml h ALA 42 CO 0.03 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.83 2rml n THR 43 N -3.62 0.30 -2.13 0.00 -2.24 -1.21 -5.00 114.28 100.38 2rml n THR 43 Ca -0.01 -0.65 -0.18 0.00 -2.27 0.00 0.00 64.05 60.94 2rml n THR 43 Cb 0.37 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 2rml n THR 43 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2rml n GLU 44 N 0.93 -1.72 -4.18 -0.78 2.13 -0.54 -4.96 120.64 111.51 2rml n GLU 44 Ca 0.12 0.93 -0.34 0.00 0.66 0.00 0.00 57.16 58.52 2rml n GLU 44 Cb 0.43 -5.47 -0.10 0.00 0.27 0.00 0.00 31.44 26.57 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 -2.77 4.45 -0.25 6.31 2.01 -0.39 -0.40 115.64 124.59 2rml s THR 45 Ca 0.00 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 2rml s THR 45 Cb 0.00 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2rml s THR 45 CO 0.00 0.50 0.18 -0.55 -0.69 0.00 0.00 174.62 174.06 2rml s SER 46 N 0.16 6.10 -0.11 3.53 0.15 0.31 -0.70 113.70 123.14 2rml s SER 46 Ca 0.02 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 2rml s SER 46 Cb -0.13 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 2rml s SER 46 CO 0.01 0.02 -0.06 0.20 1.20 0.00 0.00 173.24 174.61 2rml s ASN 47 N 1.29 4.66 -0.03 5.45 0.01 -0.20 -1.29 114.94 124.83 2rml s ASN 47 Ca 0.08 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.16 2rml s ASN 47 Cb -0.14 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.04 2rml s ASN 47 CO 0.07 0.26 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.14 2rml s VAL 48 N -0.22 0.78 -0.13 1.60 1.01 0.40 -1.21 120.40 122.64 2rml s VAL 48 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2rml s VAL 48 Cb -0.13 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.57 2rml s VAL 48 CO 0.03 0.25 -0.12 -0.63 0.00 0.00 0.00 175.10 174.63 2rml s ILE 49 N 0.25 1.34 0.15 2.22 1.09 0.09 -1.58 121.20 124.77 2rml s ILE 49 Ca -0.04 -0.49 -0.04 0.00 -1.10 0.00 0.00 60.65 58.97 2rml s ILE 49 Cb -0.09 -1.29 -0.03 0.00 -1.06 0.00 0.00 42.46 39.99 2rml s ILE 49 CO 0.01 0.42 0.15 -0.72 -0.10 0.00 0.00 174.94 174.69 2rml s TYR 50 N 1.52 0.70 -0.24 3.97 -0.85 -0.57 -0.91 117.35 120.97 2rml s TYR 50 Ca 0.04 -1.07 -0.03 0.00 -0.52 0.00 0.00 57.07 55.49 2rml s TYR 50 Cb -0.13 -0.32 0.01 0.00 0.38 0.00 0.00 41.96 41.90 2rml s TYR 50 CO -0.09 -0.60 -0.04 0.34 -1.52 0.00 0.00 175.55 173.64 2rml s ASP 51 N -3.02 4.35 0.00 -0.18 -1.08 0.18 -0.76 116.67 116.15 2rml s ASP 51 Ca 0.22 -0.67 0.19 0.00 -0.52 0.00 0.00 52.55 51.77 2rml s ASP 51 Cb 0.06 -1.71 0.99 0.00 -1.46 0.00 0.00 42.92 40.80 2rml s ASP 51 CO 0.02 -0.09 1.58 -0.81 0.52 0.00 0.00 175.17 176.38 2rml n PRO 52 N 4.74 0.32 -0.36 4.34 -0.04 -1.26 -3.23 135.00 139.50 2rml n PRO 52 Ca -0.17 0.09 0.02 0.00 -0.04 0.00 0.00 63.50 63.40 2rml n PRO 52 Cb 0.49 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.95 1.38 -0.01 0.55 0.00 -1.91 -3.25 119.26 118.97 2rml h ALA 53 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2rml h ALA 53 Cb 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2rml h ALA 53 CO 0.00 0.50 -0.25 0.39 0.00 0.00 0.00 179.25 179.89 2rml n GLU 54 N -4.47 1.88 -3.65 0.00 -0.58 -1.20 -4.95 120.64 107.67 2rml n GLU 54 Ca 0.14 -0.71 -0.02 0.00 -0.42 0.00 0.00 57.16 56.15 2rml n GLU 54 Cb 0.14 -1.16 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 -1.56 -0.94 0.35 2.62 2.01 -1.23 -4.73 115.64 112.16 2rml s THR 55 Ca 0.10 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.88 2rml s THR 55 Cb 0.10 -0.94 -0.10 0.00 0.01 0.00 0.00 72.50 71.57 2rml s THR 55 CO 0.31 0.01 0.99 -0.83 -0.69 0.00 0.00 174.62 174.41 2rml s GLY 56 N 2.85 2.78 0.41 4.40 0.00 -1.26 -4.36 107.32 112.14 2rml s GLY 56 Ca -0.05 0.60 0.12 0.00 0.00 0.00 0.00 44.72 45.39 2rml s GLY 56 CO -0.18 1.05 1.95 -0.91 0.00 0.00 0.00 173.10 175.01 2rml h THR 57 N 2.47 0.89 -0.68 0.90 1.35 -1.94 -1.23 112.91 114.68 2rml h THR 57 Ca -0.47 -0.17 0.03 0.00 -0.55 0.00 0.00 66.41 65.25 2rml h THR 57 Cb 1.20 0.34 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 2rml h THR 57 CO 0.64 0.09 0.42 0.00 -0.25 0.00 0.00 175.52 176.42 2rml h ALA 58 N 1.66 0.89 0.00 6.62 0.00 -1.94 -2.38 119.26 124.11 2rml h ALA 58 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2rml h ALA 58 Cb 0.57 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2rml h ALA 58 CO -0.10 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2rml h ALA 59 N 1.30 1.00 -0.56 0.00 0.00 -1.61 -0.36 119.26 119.03 2rml h ALA 59 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2rml h ALA 59 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2rml h ALA 59 CO -0.12 0.00 -0.06 0.82 0.00 0.00 0.00 179.25 179.89 2rml h ILE 60 N 0.00 1.27 -0.22 0.00 2.04 -1.46 -3.12 117.51 116.01 2rml h ILE 60 Ca 0.00 -1.21 -0.12 0.00 1.00 0.00 0.00 64.86 64.53 2rml h ILE 60 Cb 0.17 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2rml h ILE 60 CO 0.00 0.43 -0.36 0.06 0.00 0.00 0.00 178.15 178.28 2rml h GLN 61 N 0.91 0.48 -0.82 2.37 3.07 -1.13 -1.58 115.11 118.40 2rml h GLN 61 Ca 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 58.65 58.67 2rml h GLN 61 Cb 0.62 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.13 2rml h GLN 61 CO 0.04 0.77 0.52 1.49 0.09 0.00 0.00 178.83 181.74 2rml h GLU 62 N 0.40 1.10 0.00 0.06 4.22 -1.64 -1.72 114.58 117.01 2rml h GLU 62 Ca 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2rml h GLU 62 Cb 0.81 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2rml h GLU 62 CO 0.07 0.75 0.00 -0.22 -2.18 0.00 0.00 179.01 177.43 2rml h LYS 63 N 1.12 0.00 0.17 1.92 1.63 -1.24 -0.97 116.57 119.20 2rml h LYS 63 Ca 0.30 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.81 2rml h LYS 63 Cb -0.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2rml h LYS 63 CO -0.06 0.00 -1.40 0.82 -3.45 0.00 0.00 179.45 175.36 2rml h ILE 64 N 0.00 1.15 -0.86 2.00 2.04 -0.96 -3.36 117.51 117.51 2rml h ILE 64 Ca 0.00 -2.51 0.10 0.00 1.00 0.00 0.00 64.86 63.44 2rml h ILE 64 Cb 0.30 2.89 -0.06 0.00 -0.74 0.00 0.00 36.82 39.20 2rml h ILE 64 CO 0.00 0.77 0.56 -0.33 0.00 0.00 0.00 178.15 179.15 2rml h GLU 65 N -0.13 0.82 0.00 2.37 5.08 -0.59 -2.11 114.58 120.02 2rml h GLU 65 Ca -0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2rml h GLU 65 Cb 1.90 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.97 2rml h GLU 65 CO 0.15 0.54 0.09 1.63 -1.00 0.00 0.00 179.01 180.42 2rml n LYS 66 N -4.52 0.00 0.02 2.33 4.76 -0.44 -1.04 118.16 119.27 2rml n LYS 66 Ca 0.15 0.36 0.11 0.00 -2.87 0.00 0.00 58.31 56.05 2rml n LYS 66 Cb 0.31 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 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 -1.35 0.32 -0.78 -0.35 7.99 -0.79 -5.04 117.00 117.00 2rml n LEU 67 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2rml n LEU 67 Cb 0.09 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 2rml n LEU 67 CO 0.00 -0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.48 2rml n GLY 68 N 1.28 0.78 0.00 -0.72 0.00 -0.21 -5.10 105.19 101.22 2rml n GLY 68 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.78 -1.28 -4.11 1.61 4.11 -1.26 -5.00 117.16 110.44 2rml n TYR 69 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 2rml n TYR 69 Cb 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.53 2rml n TYR 69 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2rml s HIS 70 N -0.14 0.69 0.11 -3.48 3.76 -0.19 -4.97 115.29 111.07 2rml s HIS 70 Ca 0.00 -0.85 -0.14 0.00 -0.15 0.00 0.00 55.06 53.92 2rml s HIS 70 Cb 0.00 -0.43 0.03 0.00 1.11 0.00 0.00 32.58 33.29 2rml s HIS 70 CO 0.00 -0.20 0.35 0.54 -0.85 0.00 0.00 174.74 174.57 2rml s VAL 71 N -3.09 0.09 -0.30 -0.90 0.11 -1.26 -0.88 120.40 114.16 2rml s VAL 71 Ca 0.04 -0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 2rml s VAL 71 Cb 0.02 -1.19 0.05 0.00 -1.53 0.00 0.00 36.38 33.73 2rml s VAL 71 CO -0.05 -0.39 0.02 0.68 -3.33 0.00 0.00 175.10 172.02 2rml s VAL 72 N -3.70 3.14 -0.04 2.04 -7.23 -1.26 -5.01 120.40 108.34 2rml s VAL 72 Ca 0.03 -1.30 -0.17 0.00 -1.81 0.00 0.00 61.98 58.72 2rml s VAL 72 Cb 0.02 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.21 2rml s VAL 72 CO -0.11 -0.09 0.39 0.42 -0.31 0.00 0.00 175.10 175.40 2rml s THR 73 N 1.29 0.04 0.16 5.32 -4.23 -1.26 -4.21 115.64 112.74 2rml s THR 73 Ca -0.04 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 2rml s THR 73 Cb -0.19 -0.67 0.02 0.00 1.34 0.00 0.00 72.50 72.99 2rml s THR 73 CO -0.00 -0.17 0.28 1.21 -0.54 0.00 0.00 174.62 175.39 2rml n GLU 74 N 1.47 0.41 -3.21 3.99 2.13 -0.60 -5.01 120.64 119.83 2rml n GLU 74 Ca -0.20 -1.07 -0.39 0.00 0.66 0.00 0.00 57.16 56.17 2rml n GLU 74 Cb 0.56 1.18 -0.06 0.00 0.27 0.00 0.00 31.44 33.40 2rml n GLU 74 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2rml s LYS 75 N -2.17 4.34 0.02 5.31 -2.85 -1.26 -1.56 119.74 121.57 2rml s LYS 75 Ca 0.09 0.69 -0.03 0.00 -1.00 0.00 0.00 55.97 55.73 2rml s LYS 75 Cb -0.01 -3.38 -0.04 0.00 -2.06 0.00 0.00 37.83 32.33 2rml s LYS 75 CO 0.07 0.27 0.22 0.00 0.10 0.00 0.00 175.35 176.01 2rml s ALA 76 N 0.17 3.94 -0.01 0.59 0.00 0.28 -4.95 121.76 121.78 2rml s ALA 76 Ca 0.31 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2rml s ALA 76 Cb -0.17 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2rml s ALA 76 CO 0.16 0.75 -0.01 -1.21 0.00 0.00 0.00 175.76 175.45 2rml s GLU 77 N -2.12 0.13 0.08 0.00 2.02 -1.26 -0.41 118.70 117.13 2rml s GLU 77 Ca 0.31 -0.01 -0.00 0.00 0.02 0.00 0.00 54.97 55.29 2rml s GLU 77 Cb -0.13 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 2rml s GLU 77 CO 0.21 -0.02 -0.03 -0.06 0.02 0.00 0.00 175.26 175.39 2rml s PHE 78 N 0.25 0.69 -0.07 1.61 0.40 -0.25 -2.80 117.98 117.81 2rml s PHE 78 Ca -0.02 -1.04 -0.05 0.00 -0.60 0.00 0.00 56.93 55.22 2rml s PHE 78 Cb -0.04 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 43.00 2rml s PHE 78 CO -0.01 -0.32 0.16 0.34 0.70 0.00 0.00 175.22 176.09 2rml s ASP 79 N -2.98 6.39 -0.65 1.36 -1.08 0.43 -0.66 116.67 119.47 2rml s ASP 79 Ca 0.11 0.42 0.05 0.00 -0.52 0.00 0.00 52.55 52.61 2rml s ASP 79 Cb 0.07 -2.04 0.29 0.00 -1.46 0.00 0.00 42.92 39.77 2rml s ASP 79 CO -0.07 0.35 0.89 -0.38 0.52 0.00 0.00 175.17 176.48 2rml n ILE 80 N 1.54 2.89 -1.52 4.11 2.08 -0.33 -1.28 119.36 126.86 2rml n ILE 80 Ca -0.16 -5.41 -0.41 0.00 0.56 0.00 0.00 62.75 57.32 2rml n ILE 80 Cb 0.54 -1.84 -0.07 0.00 -0.75 0.00 0.00 39.64 37.53 2rml n ILE 80 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2rml n GLU 81 N 0.45 0.89 0.00 0.38 1.02 -1.26 -2.02 120.64 120.10 2rml n GLU 81 Ca 0.31 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2rml n GLU 81 Cb 0.39 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.05 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rml n GLY 82 N 6.23 2.79 3.87 0.62 0.00 -1.26 -4.01 105.19 113.42 2rml n GLY 82 Ca 0.44 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 3.49 -0.01 1.61 0.23 -0.86 -4.98 119.30 118.79 2rml s MET 83 Ca 0.00 -0.10 0.01 0.00 -1.03 0.00 0.00 55.69 54.57 2rml s MET 83 Cb 0.00 -3.20 0.02 0.00 -1.53 0.00 0.00 34.83 30.12 2rml s MET 83 CO 0.00 0.76 0.76 0.25 -2.03 0.00 0.00 175.02 174.76 2rml n THR 84 N 2.03 0.17 -3.52 3.16 -2.24 -1.26 -4.79 114.28 107.83 2rml n THR 84 Ca -0.20 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 2rml n THR 84 Cb 0.55 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 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 2.45 1.33 0.00 0.00 0.00 -2.00 -0.95 119.26 120.10 2rml h ALA 86 Ca -0.32 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2rml h ALA 86 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2rml h ALA 86 CO 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2rml h ALA 87 N 1.55 1.00 0.08 0.00 0.00 -1.98 -1.08 119.26 118.83 2rml h ALA 87 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 2rml h ALA 87 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2rml h ALA 87 CO -0.33 0.00 -0.88 0.00 0.00 0.00 0.00 179.25 178.04 2rml h ALA 89 N -0.07 -0.91 -0.00 0.00 0.00 -1.05 -3.24 119.26 113.99 2rml h ALA 89 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2rml h ALA 89 Cb 1.47 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 2rml h ALA 89 CO 0.03 -1.00 0.00 -0.97 0.00 0.00 0.00 179.25 177.31 2rml h ASN 90 N -0.93 0.00 0.27 0.00 -0.73 -1.43 -1.10 115.58 111.66 2rml h ASN 90 Ca -0.09 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 2rml h ASN 90 Cb 0.70 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.29 2rml h ASN 90 CO 0.15 0.00 -0.16 0.03 -0.37 0.00 0.00 177.43 177.08 2rml h ARG 91 N 0.00 0.00 0.09 6.67 3.08 -1.73 -2.64 114.38 119.84 2rml h ARG 91 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 2rml h ARG 91 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2rml h ARG 91 CO -0.00 0.16 -1.93 0.44 -1.07 0.00 0.00 179.97 177.57 2rml n ILE 92 N -3.98 1.72 -0.18 2.04 -5.35 -0.50 -4.62 119.36 108.48 2rml n ILE 92 Ca -0.02 -0.70 -0.02 0.00 -0.27 0.00 0.00 62.75 61.75 2rml n ILE 92 Cb 0.25 -1.51 0.06 0.00 -1.74 0.00 0.00 39.64 36.69 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 0.05 0.04 0.00 6.28 4.81 -0.98 -0.18 114.58 124.60 2rml h GLU 93 Ca -0.39 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2rml h GLU 93 Cb 2.03 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.40 2rml h GLU 93 CO 0.08 0.02 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.15 2rml h LYS 94 N 0.04 0.00 0.00 1.92 3.64 -1.76 -0.94 116.57 119.47 2rml h LYS 94 Ca 0.27 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 2rml h LYS 94 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2rml h LYS 94 CO -0.53 0.01 -0.81 0.00 -2.27 0.00 0.00 179.45 175.85 2rml h ARG 95 N 0.00 0.00 -0.89 1.90 2.47 -1.53 -3.42 114.38 112.92 2rml h ARG 95 Ca -0.00 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.94 2rml h ARG 95 Cb 0.11 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.27 2rml h ARG 95 CO 0.00 0.64 -0.02 -0.07 0.56 0.00 0.00 179.97 181.08 2rml h LEU 96 N -1.00 -0.49 -0.81 3.04 -0.00 -0.49 -1.86 115.31 113.71 2rml h LEU 96 Ca -0.18 0.24 0.19 0.00 -0.00 0.00 0.00 57.88 58.13 2rml h LEU 96 Cb 0.94 0.44 -0.15 0.00 -0.00 0.00 0.00 40.66 41.90 2rml h LEU 96 CO -0.11 -0.27 -0.05 -1.13 -0.00 0.00 0.00 178.44 176.88 2rml h ASN 97 N 0.05 -0.47 -2.57 -0.43 -0.73 -1.41 -3.28 115.58 106.74 2rml h ASN 97 Ca 0.50 0.22 -0.59 0.00 1.87 0.00 0.00 56.30 58.30 2rml h ASN 97 Cb 0.93 0.41 -0.39 0.00 0.27 0.00 0.00 38.32 39.54 2rml h ASN 97 CO -0.82 -0.23 -0.88 -0.54 -0.37 0.00 0.00 177.43 174.59 2rml s LYS 98 N -6.13 0.73 0.00 6.67 3.01 -0.73 -3.18 119.74 120.11 2rml s LYS 98 Ca -0.14 -1.65 0.00 0.00 -1.01 0.00 0.00 55.97 53.17 2rml s LYS 98 Cb 0.24 -1.42 0.00 0.00 -1.01 0.00 0.00 37.83 35.63 2rml s LYS 98 CO 0.76 -1.27 0.00 -0.89 0.51 0.00 0.00 175.35 174.46 2rml n ILE 99 N 3.59 0.00 -3.56 2.17 5.41 -1.04 -4.89 119.36 121.04 2rml n ILE 99 Ca 0.18 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.88 2rml n ILE 99 Cb 0.40 -0.32 -0.06 0.00 -0.71 0.00 0.00 39.64 38.95 2rml n ILE 99 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2rml s GLU 100 N 0.00 0.44 0.00 0.38 2.56 -1.26 -4.96 118.70 115.86 2rml s GLU 100 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 54.97 56.09 2rml s GLU 100 Cb 0.00 0.45 0.00 0.00 2.00 0.00 0.00 34.13 36.58 2rml s GLU 100 CO 0.00 -0.32 0.00 0.41 -0.56 0.00 0.00 175.26 174.79 2rml n GLY 101 N 5.41 2.77 3.73 -1.50 0.00 -1.24 -4.81 105.19 109.55 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 -1.34 0.00 0.00 0.00 173.32 171.98 2rml s VAL 102 N -0.69 2.05 -0.26 1.61 -7.23 -1.26 -1.53 120.40 113.09 2rml s VAL 102 Ca 0.00 0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 2rml s VAL 102 Cb 0.00 -3.02 -0.17 0.00 0.56 0.00 0.00 36.38 33.75 2rml s VAL 102 CO 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 175.10 174.56 2rml n ALA 103 N 3.41 1.44 -2.61 1.32 0.00 0.83 -4.51 120.51 120.39 2rml n ALA 103 Ca 0.13 -1.10 -0.09 0.00 0.00 0.00 0.00 53.44 52.38 2rml n ALA 103 Cb 0.36 -0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 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 -6.51 0.17 -0.30 0.00 0.01 -0.76 -4.64 114.94 102.90 2rml s ASN 104 Ca -0.35 -0.60 -0.09 0.00 -0.71 0.00 0.00 52.86 51.11 2rml s ASN 104 Cb 0.09 0.27 0.15 0.00 0.41 0.00 0.00 41.25 42.17 2rml s ASN 104 CO 0.59 -0.61 0.70 0.00 -1.51 0.00 0.00 177.10 176.27 2rml s ALA 105 N -3.20 -2.21 -0.13 0.60 0.00 -1.26 -0.33 121.76 115.23 2rml s ALA 105 Ca -0.00 2.20 -0.13 0.00 0.00 0.00 0.00 51.96 54.03 2rml s ALA 105 Cb 0.02 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 2rml s ALA 105 CO -0.07 -1.01 0.29 -1.25 0.00 0.00 0.00 175.76 173.72 2rml s PRO 106 N 2.83 4.12 -0.17 0.00 0.04 -1.18 -4.45 135.00 136.19 2rml s PRO 106 Ca -0.01 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.00 2rml s PRO 106 Cb -0.12 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2rml s PRO 106 CO -0.19 0.36 0.32 0.08 0.04 0.00 0.00 177.00 177.61 2rml s VAL 107 N 0.09 5.28 -1.21 -0.36 1.01 -1.26 -2.62 120.40 121.32 2rml s VAL 107 Ca 0.17 0.58 -0.13 0.00 0.00 0.00 0.00 61.98 62.60 2rml s VAL 107 Cb -0.13 -3.66 0.18 0.00 0.00 0.00 0.00 36.38 32.77 2rml s VAL 107 CO 0.05 0.35 1.44 0.59 0.00 0.00 0.00 175.10 177.53 2rml n ASN 108 N 3.86 5.24 0.29 3.32 3.02 0.40 -4.89 115.26 126.50 2rml n ASN 108 Ca -0.11 -2.98 0.14 0.00 -0.03 0.00 0.00 54.58 51.60 2rml n ASN 108 Cb 0.52 -1.56 0.87 0.00 -0.61 0.00 0.00 39.78 38.99 2rml n ASN 108 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2rml h PHE 109 N 7.06 0.00 0.00 3.10 -5.15 -1.91 -1.25 116.94 118.79 2rml h PHE 109 Ca 0.32 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.96 2rml h PHE 109 Cb 0.86 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.01 2rml h PHE 109 CO 1.09 0.01 -1.64 0.00 -2.00 0.00 0.00 178.31 175.77 2rml n ALA 110 N -2.35 2.18 0.09 12.09 0.00 -1.26 -3.85 120.51 127.41 2rml n ALA 110 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 53.44 52.87 2rml n ALA 110 Cb 0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.33 0.00 -0.00 -1.74 -3.49 115.31 109.75 2rml h LEU 111 Ca -0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.64 2rml h LEU 111 Cb 1.44 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 42.12 2rml h LEU 111 CO 0.02 0.27 -0.13 -0.62 -0.00 0.00 0.00 178.44 177.98 2rml n GLU 112 N -2.84 -1.18 -4.24 1.13 1.02 -0.56 -5.02 120.64 108.95 2rml n GLU 112 Ca -0.03 0.19 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 2rml n GLU 112 Cb 0.68 -3.52 -0.09 0.00 -0.02 0.00 0.00 31.44 28.49 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 -2.73 0.00 -0.09 2.62 -4.23 -1.20 -1.18 115.64 108.82 2rml s THR 113 Ca 0.08 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 2rml s THR 113 Cb -0.03 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.34 2rml s THR 113 CO 0.09 0.00 0.41 0.54 -0.54 0.00 0.00 174.62 175.12 2rml s VAL 114 N -3.77 0.02 0.01 2.29 0.11 0.16 -0.46 120.40 118.77 2rml s VAL 114 Ca 0.40 -0.19 0.08 0.00 -2.93 0.00 0.00 61.98 59.34 2rml s VAL 114 Cb 0.04 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2rml s VAL 114 CO 0.20 -0.11 -0.26 -0.89 -3.33 0.00 0.00 175.10 170.72 2rml s THR 115 N -0.58 2.13 -0.03 5.04 2.01 -1.08 -1.09 115.64 122.04 2rml s THR 115 Ca -0.07 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 60.70 2rml s THR 115 Cb -0.04 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.72 2rml s THR 115 CO 0.03 0.48 0.01 -0.69 -0.69 0.00 0.00 174.62 173.77 2rml s VAL 116 N -0.71 0.12 -0.25 3.82 1.01 0.46 -3.08 120.40 121.76 2rml s VAL 116 Ca 0.11 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 2rml s VAL 116 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2rml s VAL 116 CO 0.01 0.15 0.66 -0.70 0.00 0.00 0.00 175.10 175.22 2rml s GLU 117 N 1.32 4.13 -0.11 2.72 2.12 0.55 -0.56 118.70 128.87 2rml s GLU 117 Ca -0.06 0.61 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 2rml s GLU 117 Cb -0.13 -3.64 0.07 0.00 0.26 0.00 0.00 34.13 30.68 2rml s GLU 117 CO -0.02 -0.41 0.68 -0.47 -0.54 0.00 0.00 175.26 174.49 2rml s TYR 118 N 2.51 -0.68 -0.22 5.30 5.04 -0.60 -0.12 117.35 128.57 2rml s TYR 118 Ca 0.28 1.33 -0.07 0.00 -2.44 0.00 0.00 57.07 56.16 2rml s TYR 118 Cb -0.15 0.36 -0.04 0.00 0.35 0.00 0.00 41.96 42.48 2rml s TYR 118 CO 0.08 -0.53 0.07 1.21 -1.34 0.00 0.00 175.55 175.04 2rml s ASN 119 N -0.73 5.38 0.00 4.32 3.84 -0.58 -1.55 114.94 125.62 2rml s ASN 119 Ca -0.08 -0.08 0.30 0.00 0.21 0.00 0.00 52.86 53.22 2rml s ASN 119 Cb -0.02 -1.95 1.51 0.00 -0.55 0.00 0.00 41.25 40.25 2rml s ASN 119 CO 0.07 0.05 2.01 -0.81 -2.79 0.00 0.00 177.10 175.64 2rml n PRO 120 N 4.34 1.06 0.05 0.43 -0.04 -1.26 -4.30 135.00 135.28 2rml n PRO 120 Ca -0.16 -0.29 -0.16 0.00 -0.04 0.00 0.00 63.50 62.84 2rml n PRO 120 Cb 0.52 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 0.72 0.23 0.00 0.54 1.79 -1.96 -3.40 116.57 114.49 2rml h LYS 121 Ca 0.00 -0.39 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2rml h LYS 121 Cb 0.22 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2rml h LYS 121 CO 0.00 1.07 -0.27 0.93 -1.08 0.00 0.00 179.45 180.10 2rml h GLU 122 N 0.06 0.00 0.00 3.15 4.39 -1.95 -3.48 114.58 116.75 2rml h GLU 122 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2rml h GLU 122 Cb 2.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 2rml h GLU 122 CO 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.00 2rml n ALA 123 N -2.10 0.00 -3.09 3.43 0.00 -1.26 -5.01 120.51 112.47 2rml n ALA 123 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2rml n ALA 123 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2rml n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rml n SER 124 N 0.00 -0.24 0.09 0.00 2.88 -1.26 -4.90 113.62 110.19 2rml n SER 124 Ca 0.00 -1.16 0.09 0.00 -1.33 0.00 0.00 58.87 56.48 2rml n SER 124 Cb 0.00 0.39 0.41 0.00 -0.75 0.00 0.00 64.21 64.27 2rml n SER 124 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2rml n VAL 125 N -0.07 1.04 0.13 2.46 0.31 -1.26 -2.79 118.33 118.15 2rml n VAL 125 Ca -0.01 0.36 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 2rml n VAL 125 Cb 0.07 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 31.63 2rml n VAL 125 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2rml h SER 126 N 0.00 -1.51 0.33 4.52 4.64 -1.99 0.64 113.55 120.18 2rml h SER 126 Ca 0.00 0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 2rml h SER 126 Cb 0.23 0.55 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2rml h SER 126 CO 0.00 -0.55 -0.47 0.44 -0.87 0.00 0.00 176.83 175.39 2rml h ASP 127 N -0.75 0.18 -0.55 4.97 3.32 -1.95 -1.87 116.42 119.76 2rml h ASP 127 Ca -0.01 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2rml h ASP 127 Cb 0.74 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2rml h ASP 127 CO -0.25 0.62 0.18 -0.07 -1.72 0.00 0.00 179.24 178.00 2rml h LEU 128 N 0.14 0.80 -0.26 1.55 3.38 -1.59 -1.55 115.31 117.78 2rml h LEU 128 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2rml h LEU 128 Cb 0.88 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2rml h LEU 128 CO 0.07 0.79 0.17 0.11 0.09 0.00 0.00 178.44 179.67 2rml h LYS 129 N 0.77 0.36 -1.01 1.13 1.79 -0.57 -1.55 116.57 117.49 2rml h LYS 129 Ca 0.18 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.68 2rml h LYS 129 Cb 0.27 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 2rml h LYS 129 CO -0.01 0.26 0.65 0.93 -1.08 0.00 0.00 179.45 180.21 2rml h GLU 130 N 0.34 1.18 -0.60 3.15 5.08 -1.13 0.14 114.58 122.74 2rml h GLU 130 Ca 0.10 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2rml h GLU 130 Cb -0.00 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 2rml h GLU 130 CO -0.02 0.78 -0.01 0.00 -1.00 0.00 0.00 179.01 178.76 2rml h ALA 131 N 1.44 0.82 0.00 3.43 0.00 -1.03 -2.89 119.26 121.03 2rml h ALA 131 Ca 0.42 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2rml h ALA 131 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2rml h ALA 131 CO -0.16 0.67 -0.93 0.28 0.00 0.00 0.00 179.25 179.11 2rml h VAL 132 N 0.97 1.66 -0.61 0.00 2.07 -0.82 -3.29 116.25 116.23 2rml h VAL 132 Ca 0.17 -3.16 -0.01 0.00 0.82 0.00 0.00 66.70 64.52 2rml h VAL 132 Cb 0.57 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 2rml h VAL 132 CO 0.03 0.90 0.36 -0.78 0.02 0.00 0.00 177.57 178.11 2rml h ASP 133 N 0.00 0.74 0.17 0.57 1.82 -0.73 -2.36 116.42 116.64 2rml h ASP 133 Ca -0.01 -0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 2rml h ASP 133 Cb 1.64 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.46 2rml h ASP 133 CO 0.12 0.59 -0.07 0.50 -1.61 0.00 0.00 179.24 178.77 2rml h LYS 134 N 0.83 0.00 -0.01 0.28 3.64 -1.58 -0.88 116.57 118.86 2rml h LYS 134 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2rml h LYS 134 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2rml h LYS 134 CO -0.04 0.07 -0.28 1.28 -2.27 0.00 0.00 179.45 178.21 2rml n LEU 135 N -3.87 0.78 0.00 5.20 7.99 -0.96 -4.98 117.00 121.16 2rml n LEU 135 Ca -0.02 -0.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2rml n LEU 135 Cb 0.17 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2rml n LEU 135 CO 0.30 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.94 2rml n GLY 136 N 1.37 1.07 0.00 -0.72 0.00 -0.33 -5.07 105.19 101.51 2rml n GLY 136 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.78 0.00 -3.57 1.61 4.01 -0.93 -4.91 117.16 111.60 2rml n TYR 137 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 2rml n TYR 137 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.23 1.00 -0.85 -0.72 0.00 -1.26 -3.64 119.74 115.51 2rml s LYS 138 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 55.97 55.80 2rml s LYS 138 Cb 0.00 0.46 0.17 0.00 0.00 0.00 0.00 37.83 38.46 2rml s LYS 138 CO 0.00 -0.33 0.92 -0.51 0.00 0.00 0.00 175.35 175.43 2rml s LEU 139 N -1.54 5.85 -0.46 2.77 1.43 -1.26 -4.15 118.68 121.32 2rml s LEU 139 Ca -0.09 -2.27 -0.29 0.00 -1.03 0.00 0.00 54.13 50.46 2rml s LEU 139 Cb -0.01 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.92 2rml s LEU 139 CO 0.04 -0.85 1.34 -0.54 0.23 0.00 0.00 176.35 176.57 2rml s LYS 140 N 1.56 3.55 0.44 1.70 -0.14 -0.40 -4.83 119.74 121.62 2rml s LYS 140 Ca 0.24 0.72 -0.25 0.00 -1.36 0.00 0.00 55.97 55.32 2rml s LYS 140 Cb -0.09 -4.02 -0.08 0.00 -1.68 0.00 0.00 37.83 31.96 2rml s LYS 140 CO -0.08 -1.60 1.34 -0.51 -0.76 0.00 0.00 175.35 173.74 2rml s LEU 141 N 5.31 4.13 -0.27 3.17 1.43 -1.26 -0.43 118.68 130.76 2rml s LEU 141 Ca 0.56 2.73 -0.24 0.00 -1.03 0.00 0.00 54.13 56.14 2rml s LEU 141 Cb -0.11 -3.98 -0.00 0.00 0.03 0.00 0.00 46.19 42.13 2rml s LEU 141 CO 0.31 -1.04 0.83 -0.75 0.23 0.00 0.00 176.35 175.93 2rml s LYS 142 N -2.41 4.11 0.00 1.70 2.20 -1.12 -1.29 119.74 122.92 2rml s LYS 142 Ca 0.60 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 2rml s LYS 142 Cb -0.39 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2rml s LYS 142 CO 0.50 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 2rml n GLY 143 N 3.91 2.31 0.00 5.54 0.00 -1.26 -4.75 105.19 110.94 2rml n GLY 143 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.91 -0.73 0.00 1.61 -0.58 -1.22 -4.58 120.64 113.23 2rml n GLU 144 Ca 0.00 -0.41 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 2rml n GLU 144 Cb 0.00 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 2rml n GLU 144 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2rml n GLN 145 N -0.01 0.00 0.07 3.49 7.27 -1.01 -4.81 117.38 122.38 2rml n GLN 145 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 2rml n GLN 145 Cb 0.06 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.57 2rml n GLN 145 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2rml h ASP 146 N 0.00 0.39 0.00 1.69 3.58 -1.48 -3.46 116.42 117.14 2rml h ASP 146 Ca 0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2rml h ASP 146 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2rml h ASP 146 CO 0.00 1.43 0.00 -0.24 -2.88 0.00 0.00 179.24 177.55