#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 0.00 -3.34 4.03 4.77 -1.26 -4.43 117.00 116.77 2rml n LEU 2 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 2rml n LEU 2 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2rml n LEU 2 CO 0.00 -0.40 2.97 -1.54 -1.33 0.00 0.00 177.39 177.09 2rml n SER 3 N -1.18 8.41 -3.27 -1.43 3.41 -1.26 -4.81 113.62 113.49 2rml n SER 3 Ca 0.00 -2.80 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 2rml n SER 3 Cb 0.00 -1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 62.45 2rml n SER 3 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2rml n GLU 4 N 2.81 2.96 -3.23 4.33 0.28 -1.26 -4.92 120.64 121.61 2rml n GLU 4 Ca 0.72 -1.89 -0.25 0.00 -0.16 0.00 0.00 57.16 55.57 2rml n GLU 4 Cb 0.25 -2.67 -0.01 0.00 1.43 0.00 0.00 31.44 30.45 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 2.77 3.52 0.01 3.44 -0.21 -1.26 -4.52 119.66 123.41 2rml s GLN 5 Ca 0.56 -0.18 0.04 0.00 0.02 0.00 0.00 55.36 55.80 2rml s GLN 5 Cb 0.15 -2.61 -0.01 0.00 1.00 0.00 0.00 33.01 31.54 2rml s GLN 5 CO -0.05 0.09 -0.12 0.15 -2.12 0.00 0.00 175.29 173.24 2rml s LYS 6 N -4.27 0.91 0.27 2.91 3.01 -0.51 -4.96 119.74 117.09 2rml s LYS 6 Ca 0.42 -0.52 0.04 0.00 -1.01 0.00 0.00 55.97 54.89 2rml s LYS 6 Cb -0.10 -0.89 -0.03 0.00 -1.01 0.00 0.00 37.83 35.80 2rml s LYS 6 CO 0.37 0.23 0.41 -1.83 0.51 0.00 0.00 175.35 175.04 2rml s GLU 7 N -0.57 3.45 -0.11 1.68 -1.05 -1.26 -1.34 118.70 119.51 2rml s GLU 7 Ca 0.03 -0.63 -0.27 0.00 -0.15 0.00 0.00 54.97 53.95 2rml s GLU 7 Cb -0.06 -2.83 0.06 0.00 -0.44 0.00 0.00 34.13 30.87 2rml s GLU 7 CO 0.00 0.36 0.63 -1.50 0.95 0.00 0.00 175.26 175.70 2rml s ILE 8 N -2.06 0.01 0.08 1.83 -1.16 0.10 -4.97 121.20 115.01 2rml s ILE 8 Ca 0.36 -0.05 0.06 0.00 -0.51 0.00 0.00 60.65 60.51 2rml s ILE 8 Cb -0.09 -0.93 -0.03 0.00 0.61 0.00 0.00 42.46 42.01 2rml s ILE 8 CO 0.31 -0.03 -0.16 0.00 -2.81 0.00 0.00 174.94 172.25 2rml s ALA 9 N -0.74 1.35 -0.12 1.50 0.00 -1.26 -0.41 121.76 122.07 2rml s ALA 9 Ca -0.08 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 2rml s ALA 9 Cb -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2rml s ALA 9 CO 0.07 0.23 0.32 -1.64 0.00 0.00 0.00 175.76 174.73 2rml s MET 10 N -1.71 0.37 0.16 0.00 -1.94 -0.29 -3.18 119.30 112.72 2rml s MET 10 Ca 0.01 0.44 -0.30 0.00 -1.71 0.00 0.00 55.69 54.13 2rml s MET 10 Cb -0.10 0.18 -0.07 0.00 2.01 0.00 0.00 34.83 36.85 2rml s MET 10 CO 0.03 -0.04 0.97 -1.14 -0.01 0.00 0.00 175.02 174.82 2rml s GLN 11 N 0.17 4.74 -0.05 2.03 -0.44 -1.26 -0.34 119.66 124.51 2rml s GLN 11 Ca -0.00 1.50 -0.02 0.00 -2.50 0.00 0.00 55.36 54.34 2rml s GLN 11 Cb -0.02 -3.33 0.03 0.00 -1.64 0.00 0.00 33.01 28.05 2rml s GLN 11 CO 0.00 0.30 0.08 0.54 0.50 0.00 0.00 175.29 176.72 2rml s VAL 12 N -0.45 -0.13 -0.18 1.34 0.11 0.53 -4.37 120.40 117.25 2rml s VAL 12 Ca 0.45 0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 59.86 2rml s VAL 12 Cb -0.25 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.39 2rml s VAL 12 CO 0.31 0.15 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.64 2rml s SER 13 N 2.19 4.46 0.00 3.54 0.15 0.31 -4.56 113.70 119.80 2rml s SER 13 Ca 0.05 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2rml s SER 13 Cb -0.12 -1.74 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2rml s SER 13 CO -0.04 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2rml n GLY 14 N 4.13 1.41 3.74 9.45 0.00 -1.26 -1.28 105.19 121.38 2rml n GLY 14 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2rml n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rml s MET 15 N 0.00 4.35 -0.30 1.61 -1.94 -1.26 -5.00 119.30 116.76 2rml s MET 15 Ca 0.00 0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 54.64 2rml s MET 15 Cb 0.00 -3.41 0.06 0.00 2.01 0.00 0.00 34.83 33.49 2rml s MET 15 CO 0.00 0.21 0.00 0.99 -0.01 0.00 0.00 175.02 176.21 2rml s THR 16 N 0.39 2.88 0.17 2.05 2.01 -1.26 -5.02 115.64 116.86 2rml s THR 16 Ca 0.31 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.82 2rml s THR 16 Cb -0.17 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.65 2rml s THR 16 CO 0.15 -0.15 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 2rml h ALA 18 N -0.98 1.31 0.15 0.00 0.00 -1.99 -2.95 119.26 114.81 2rml h ALA 18 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 2rml h ALA 18 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2rml h ALA 18 CO 0.01 -0.31 -1.24 0.00 0.00 0.00 0.00 179.25 177.71 2rml h ALA 19 N 0.94 0.03 -0.29 0.00 0.00 -1.99 0.03 119.26 117.99 2rml h ALA 19 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 54.91 53.91 2rml h ALA 19 Cb 0.84 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2rml h ALA 19 CO 0.00 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.73 2rml h ALA 21 N 1.35 -0.07 -0.97 0.00 0.00 -1.57 -1.13 119.26 116.86 2rml h ALA 21 Ca 0.08 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.14 2rml h ALA 21 Cb 0.58 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2rml h ALA 21 CO 0.04 -0.57 0.59 0.00 0.00 0.00 0.00 179.25 179.31 2rml h ALA 22 N 0.86 1.49 -0.24 0.00 0.00 -0.73 -1.20 119.26 119.44 2rml h ALA 22 Ca 0.05 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 22 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rml h ALA 22 CO -0.12 0.13 -0.34 0.00 0.00 0.00 0.00 179.25 178.92 2rml h ARG 23 N 0.90 0.51 0.33 0.00 2.47 -0.86 -1.24 114.38 116.48 2rml h ARG 23 Ca 0.50 -0.23 -0.02 0.00 -1.26 0.00 0.00 59.98 58.97 2rml h ARG 23 Cb 0.57 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2rml h ARG 23 CO -0.30 0.79 -0.16 0.82 0.56 0.00 0.00 179.97 181.69 2rml h ILE 24 N 0.44 0.69 -0.10 2.04 1.08 -0.36 -2.37 117.51 118.93 2rml h ILE 24 Ca 0.05 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2rml h ILE 24 Cb 0.81 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2rml h ILE 24 CO 0.07 0.07 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.24 2rml h GLU 25 N -0.64 0.20 0.00 2.37 5.08 -1.25 -1.35 114.58 118.98 2rml h GLU 25 Ca -0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2rml h GLU 25 Cb 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2rml h GLU 25 CO 0.07 0.51 0.00 0.36 -1.00 0.00 0.00 179.01 178.96 2rml n LYS 26 N -4.76 0.13 -0.03 2.33 2.85 -0.47 -1.71 118.16 116.50 2rml n LYS 26 Ca -0.06 0.18 -0.04 0.00 -1.05 0.00 0.00 58.31 57.33 2rml n LYS 26 Cb 0.24 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.09 2rml n LYS 26 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2rml h GLY 27 N 2.65 -0.06 1.25 2.58 0.00 -0.83 -3.42 103.07 105.24 2rml h GLY 27 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 2rml h GLY 27 CO 0.00 -0.02 -0.36 1.41 0.00 0.00 0.00 176.54 177.57 2rml h LEU 28 N -1.00 0.88 -0.46 3.11 3.38 -1.01 -3.29 115.31 116.91 2rml h LEU 28 Ca -0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2rml h LEU 28 Cb 0.26 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2rml h LEU 28 CO 0.01 1.14 0.07 1.17 0.09 0.00 0.00 178.44 180.92 2rml n LYS 29 N -4.06 0.05 0.13 1.13 0.00 -0.69 -0.85 118.16 113.86 2rml n LYS 29 Ca -0.02 0.51 0.13 0.00 0.00 0.00 0.00 58.31 58.93 2rml n LYS 29 Cb 0.52 -1.71 0.40 0.00 0.00 0.00 0.00 35.03 34.23 2rml n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rml h ARG 30 N 0.00 0.00 -6.34 1.64 3.08 -1.82 -3.44 114.38 107.49 2rml h ARG 30 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2rml h ARG 30 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.19 2rml h ARG 30 CO 0.00 0.00 1.08 -1.64 -1.07 0.00 0.00 179.97 178.34 2rml s MET 31 N -3.17 4.18 0.28 0.04 -1.94 -0.03 -4.91 119.30 113.75 2rml s MET 31 Ca 0.09 2.31 -0.00 0.00 -1.71 0.00 0.00 55.69 56.37 2rml s MET 31 Cb 0.11 -3.89 0.50 0.00 2.01 0.00 0.00 34.83 33.56 2rml s MET 31 CO 0.57 -0.82 1.87 -1.00 -0.01 0.00 0.00 175.02 175.62 2rml h PRO 32 N 9.30 1.04 -1.56 2.03 0.13 -1.85 -1.04 132.00 140.06 2rml h PRO 32 Ca -0.42 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 2rml h PRO 32 Cb 1.20 -0.23 -0.42 0.00 0.13 0.00 0.00 31.00 31.67 2rml h PRO 32 CO 0.94 0.69 -0.79 0.41 -0.23 0.00 0.00 178.00 179.02 2rml n GLY 33 N -1.37 5.36 3.69 1.56 0.00 -1.26 -4.95 105.19 108.21 2rml n GLY 33 Ca 0.17 -2.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 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 -5.05 4.40 0.01 1.61 0.11 -0.39 -0.82 120.40 120.27 2rml s VAL 34 Ca 0.45 1.71 -0.25 0.00 -2.93 0.00 0.00 61.98 60.96 2rml s VAL 34 Cb 0.39 -4.10 -0.18 0.00 -1.53 0.00 0.00 36.38 30.96 2rml s VAL 34 CO -0.15 -0.01 1.35 0.74 -3.33 0.00 0.00 175.10 173.69 2rml h THR 35 N 5.06 1.14 -1.96 5.04 2.02 -0.76 -3.47 112.91 119.98 2rml h THR 35 Ca -0.33 -0.79 0.05 0.00 0.77 0.00 0.00 66.41 66.11 2rml h THR 35 Cb 1.15 1.64 -0.19 0.00 -1.74 0.00 0.00 68.15 69.01 2rml h THR 35 CO 0.88 0.19 0.42 -0.62 0.37 0.00 0.00 175.52 176.76 2rml s ASP 36 N -5.44 -0.45 -0.06 4.18 -1.08 -0.64 -5.00 116.67 108.17 2rml s ASP 36 Ca -0.15 0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.25 2rml s ASP 36 Cb 0.03 0.40 0.02 0.00 -1.46 0.00 0.00 42.92 41.91 2rml s ASP 36 CO 0.64 -0.53 -0.10 0.00 0.52 0.00 0.00 175.17 175.71 2rml s ALA 37 N -1.84 1.08 -0.23 3.66 0.00 -1.26 -0.91 121.76 122.27 2rml s ALA 37 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 2rml s ALA 37 Cb -0.01 -0.54 0.08 0.00 0.00 0.00 0.00 23.12 22.66 2rml s ALA 37 CO -0.00 0.04 0.13 -0.80 0.00 0.00 0.00 175.76 175.13 2rml s ASN 38 N 0.80 2.73 -0.25 0.00 0.01 -0.30 -4.89 114.94 113.05 2rml s ASN 38 Ca -0.12 -0.87 -0.06 0.00 -0.71 0.00 0.00 52.86 51.10 2rml s ASN 38 Cb -0.15 -0.20 -0.01 0.00 0.41 0.00 0.00 41.25 41.29 2rml s ASN 38 CO 0.02 -0.39 0.03 0.54 -1.51 0.00 0.00 177.10 175.79 2rml s VAL 39 N 2.15 3.89 -1.07 1.60 0.11 -1.26 -0.94 120.40 124.87 2rml s VAL 39 Ca 0.06 -0.39 -0.20 0.00 -2.93 0.00 0.00 61.98 58.52 2rml s VAL 39 Cb -0.16 -2.84 0.09 0.00 -1.53 0.00 0.00 36.38 31.94 2rml s VAL 39 CO -0.22 0.33 1.42 0.21 -3.33 0.00 0.00 175.10 173.51 2rml s ASN 40 N 1.54 6.67 0.46 3.54 2.47 0.26 -4.87 114.94 125.01 2rml s ASN 40 Ca 0.05 -1.98 0.12 0.00 0.42 0.00 0.00 52.86 51.47 2rml s ASN 40 Cb -0.15 -2.51 1.03 0.00 -1.45 0.00 0.00 41.25 38.18 2rml s ASN 40 CO 0.01 -1.24 2.07 0.17 -3.72 0.00 0.00 177.10 174.39 2rml h LEU 41 N 11.76 0.20 0.00 3.21 8.10 -1.94 -0.76 115.31 135.88 2rml h LEU 41 Ca 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.23 2rml h LEU 41 Cb 0.97 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 41.14 2rml h LEU 41 CO 1.33 0.19 0.00 0.00 -4.11 0.00 0.00 178.44 175.85 2rml n ALA 42 N -2.51 1.64 -2.17 0.17 0.00 -1.26 -1.20 120.51 115.19 2rml n ALA 42 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2rml n ALA 42 Cb 0.12 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.41 2rml n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rml n THR 43 N -1.39 0.32 -3.65 0.00 -1.04 -1.05 -5.04 114.28 102.43 2rml n THR 43 Ca 0.04 -0.96 -0.20 0.00 -2.04 0.00 0.00 64.05 60.90 2rml n THR 43 Cb 0.12 0.64 -0.06 0.00 -1.82 0.00 0.00 70.33 69.21 2rml n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2rml n GLU 44 N 0.07 -0.96 -4.14 -2.82 1.02 -0.34 -4.91 120.64 108.55 2rml n GLU 44 Ca 0.06 0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 2rml n GLU 44 Cb 0.93 -2.27 -0.17 0.00 -0.02 0.00 0.00 31.44 29.92 2rml n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2rml s THR 45 N -3.88 0.60 0.04 2.62 2.01 -0.37 -0.34 115.64 116.32 2rml s THR 45 Ca 0.00 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 2rml s THR 45 Cb -0.00 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2rml s THR 45 CO 0.63 0.25 0.23 -0.55 -0.69 0.00 0.00 174.62 174.49 2rml s SER 46 N 1.06 6.40 -0.19 3.53 0.15 0.54 -0.57 113.70 124.62 2rml s SER 46 Ca -0.09 0.37 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 2rml s SER 46 Cb -0.14 -2.01 0.06 0.00 -1.71 0.00 0.00 66.02 62.22 2rml s SER 46 CO -0.01 0.20 0.01 0.20 1.20 0.00 0.00 173.24 174.84 2rml s ASN 47 N -2.18 3.02 0.00 5.45 0.01 -0.12 -1.13 114.94 119.98 2rml s ASN 47 Ca 0.32 -0.84 0.05 0.00 -0.71 0.00 0.00 52.86 51.68 2rml s ASN 47 Cb -0.13 -0.73 -0.01 0.00 0.41 0.00 0.00 41.25 40.79 2rml s ASN 47 CO 0.23 -0.28 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.71 2rml s VAL 48 N 1.75 1.14 -0.04 1.60 1.01 0.45 -1.15 120.40 125.16 2rml s VAL 48 Ca -0.01 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2rml s VAL 48 Cb -0.17 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 2rml s VAL 48 CO -0.07 0.25 -0.15 -0.63 0.00 0.00 0.00 175.10 174.50 2rml s ILE 49 N -0.45 1.22 0.10 2.22 1.09 -0.08 -0.72 121.20 124.59 2rml s ILE 49 Ca 0.05 -0.60 -0.04 0.00 -1.10 0.00 0.00 60.65 58.95 2rml s ILE 49 Cb -0.06 -1.06 -0.02 0.00 -1.06 0.00 0.00 42.46 40.26 2rml s ILE 49 CO -0.00 0.36 0.11 -0.72 -0.10 0.00 0.00 174.94 174.59 2rml s TYR 50 N 0.07 0.50 -0.34 3.97 1.13 -0.45 -0.03 117.35 122.20 2rml s TYR 50 Ca -0.03 -0.93 -0.13 0.00 -1.41 0.00 0.00 57.07 54.56 2rml s TYR 50 Cb -0.10 -0.27 -0.02 0.00 -1.10 0.00 0.00 41.96 40.47 2rml s TYR 50 CO 0.02 -0.53 0.27 0.34 -2.51 0.00 0.00 175.55 173.14 2rml s ASP 51 N -2.95 6.09 -1.40 -0.18 -1.08 0.00 -1.43 116.67 115.72 2rml s ASP 51 Ca 0.13 -0.37 -0.15 0.00 -0.52 0.00 0.00 52.55 51.65 2rml s ASP 51 Cb 0.06 -2.15 0.06 0.00 -1.46 0.00 0.00 42.92 39.43 2rml s ASP 51 CO -0.05 -0.25 2.06 -0.81 0.52 0.00 0.00 175.17 176.64 2rml n PRO 52 N 5.17 3.01 0.00 4.34 -0.04 -1.26 -2.42 135.00 143.80 2rml n PRO 52 Ca -0.12 -2.88 0.00 0.00 -0.04 0.00 0.00 63.50 60.46 2rml n PRO 52 Cb 0.50 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml n ALA 53 N 6.44 0.00 0.25 0.55 0.00 -1.26 -4.96 120.51 121.53 2rml n ALA 53 Ca 0.50 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.05 2rml n ALA 53 Cb 0.41 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.92 2rml n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rml h GLU 54 N 0.00 0.00 -2.79 0.00 4.39 -1.79 -3.49 114.58 110.90 2rml h GLU 54 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2rml h GLU 54 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2rml h GLU 54 CO 0.00 0.00 0.42 -0.08 -1.16 0.00 0.00 179.01 178.19 2rml s THR 55 N -3.29 0.00 0.22 1.13 -1.32 -1.18 -4.37 115.64 106.83 2rml s THR 55 Ca 0.02 -0.81 -0.05 0.00 -1.21 0.00 0.00 61.69 59.64 2rml s THR 55 Cb 0.10 -2.89 -0.03 0.00 -1.51 0.00 0.00 72.50 68.17 2rml s THR 55 CO 0.76 0.00 0.26 -0.83 -2.21 0.00 0.00 174.62 172.59 2rml s GLY 56 N -3.23 1.08 0.17 6.08 0.00 -1.26 -4.49 107.32 105.67 2rml s GLY 56 Ca 0.18 -1.38 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 2rml s GLY 56 CO 0.09 -1.11 1.69 0.00 0.00 0.00 0.00 173.10 173.77 2rml h THR 57 N 2.49 1.25 -0.25 0.90 1.03 -2.01 -2.68 112.91 113.64 2rml h THR 57 Ca -0.32 -0.85 -0.16 0.00 -0.01 0.00 0.00 66.41 65.06 2rml h THR 57 Cb 1.25 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 69.00 2rml h THR 57 CO 0.47 0.32 -0.49 0.00 -0.01 0.00 0.00 175.52 175.81 2rml h ALA 58 N 1.05 0.67 -0.49 0.00 0.00 -1.99 -2.83 119.26 115.67 2rml h ALA 58 Ca 0.19 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2rml h ALA 58 Cb 0.31 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2rml h ALA 58 CO -0.00 0.68 0.33 0.00 0.00 0.00 0.00 179.25 180.25 2rml h ALA 59 N 0.92 1.77 0.07 0.00 0.00 -1.94 0.80 119.26 120.87 2rml h ALA 59 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 59 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2rml h ALA 59 CO 0.10 0.17 -0.03 0.82 0.00 0.00 0.00 179.25 180.31 2rml h ILE 60 N 0.55 1.17 -0.11 0.00 2.04 -1.31 -1.58 117.51 118.27 2rml h ILE 60 Ca 0.20 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 2rml h ILE 60 Cb 0.10 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2rml h ILE 60 CO -0.05 0.21 -0.51 0.06 0.00 0.00 0.00 178.15 177.86 2rml h GLN 61 N -0.47 0.30 -0.76 2.37 3.07 -1.25 -2.51 115.11 115.86 2rml h GLN 61 Ca -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 58.65 58.55 2rml h GLN 61 Cb 0.41 0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.95 2rml h GLN 61 CO 0.02 0.74 0.47 1.49 0.09 0.00 0.00 178.83 181.64 2rml h GLU 62 N 0.24 1.02 0.00 0.06 4.57 -0.91 -2.50 114.58 117.06 2rml h GLU 62 Ca 0.01 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 2rml h GLU 62 Cb 0.98 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 2rml h GLU 62 CO 0.08 0.71 -0.23 0.87 -1.18 0.00 0.00 179.01 179.27 2rml h LYS 63 N 1.04 0.00 0.27 1.92 1.79 -0.87 0.15 116.57 120.87 2rml h LYS 63 Ca 0.27 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 2rml h LYS 63 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2rml h LYS 63 CO -0.05 0.23 -0.13 0.82 -1.08 0.00 0.00 179.45 179.23 2rml h ILE 64 N 0.00 0.77 -0.61 1.86 2.04 -1.05 -1.90 117.51 118.62 2rml h ILE 64 Ca -0.00 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2rml h ILE 64 Cb 0.46 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2rml h ILE 64 CO 0.03 0.07 0.37 -0.33 0.00 0.00 0.00 178.15 178.29 2rml h GLU 65 N -0.55 0.70 0.00 2.37 4.39 -1.20 -2.29 114.58 117.99 2rml h GLU 65 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2rml h GLU 65 Cb 0.41 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2rml h GLU 65 CO 0.06 0.46 0.00 1.63 -1.16 0.00 0.00 179.01 180.00 2rml n LYS 66 N -4.75 0.18 0.00 2.33 4.76 0.51 -1.33 118.16 119.86 2rml n LYS 66 Ca 0.06 0.41 0.13 0.00 -2.87 0.00 0.00 58.31 56.04 2rml n LYS 66 Cb 0.10 -1.84 0.41 0.00 -1.84 0.00 0.00 35.03 31.86 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 -2.18 0.63 0.00 -0.35 7.99 -0.72 -4.98 117.00 117.40 2rml n LEU 67 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2rml n LEU 67 Cb 0.23 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 2rml n LEU 67 CO 0.19 0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.81 2rml n GLY 68 N 1.39 0.80 3.81 -0.72 0.00 -0.45 -5.03 105.19 104.99 2rml n GLY 68 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2rml n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 69 N -2.00 3.45 -0.16 1.61 2.02 -1.14 -5.00 117.35 116.13 2rml s TYR 69 Ca 0.00 0.41 -0.27 0.00 -0.37 0.00 0.00 57.07 56.83 2rml s TYR 69 Cb 0.00 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2rml s TYR 69 CO 0.00 0.62 0.93 -1.01 -1.57 0.00 0.00 175.55 174.52 2rml s HIS 70 N -0.87 3.43 -1.65 2.71 3.76 -0.40 -3.45 115.29 118.82 2rml s HIS 70 Ca 0.14 1.40 0.28 0.00 -0.15 0.00 0.00 55.06 56.73 2rml s HIS 70 Cb -0.12 -3.12 1.52 0.00 1.11 0.00 0.00 32.58 31.97 2rml s HIS 70 CO 0.03 -0.29 1.99 1.55 -0.85 0.00 0.00 174.74 177.18 2rml n VAL 71 N 4.81 0.06 -3.85 -0.90 3.14 -1.26 -0.53 118.33 119.80 2rml n VAL 71 Ca 0.07 0.02 -0.25 0.00 -2.96 0.00 0.00 64.34 61.22 2rml n VAL 71 Cb 0.48 -0.56 0.01 0.00 -1.06 0.00 0.00 33.84 32.71 2rml n VAL 71 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2rml n VAL 72 N -1.18 -3.32 -3.63 1.55 0.24 -1.26 -4.62 118.33 106.11 2rml n VAL 72 Ca 0.16 -0.36 -0.28 0.00 -2.04 0.00 0.00 64.34 61.82 2rml n VAL 72 Cb 0.17 -3.12 -0.03 0.00 -1.47 0.00 0.00 33.84 29.39 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 -3.65 5.17 0.14 3.34 -4.23 -1.26 -4.64 115.64 110.50 2rml s THR 73 Ca 0.19 -0.21 0.10 0.00 -1.18 0.00 0.00 61.69 60.59 2rml s THR 73 Cb -0.10 -3.71 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 2rml s THR 73 CO 0.85 -0.16 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.97 2rml s GLU 74 N -3.23 1.71 0.08 3.99 8.01 -0.16 -4.96 118.70 124.15 2rml s GLU 74 Ca 0.40 -1.27 0.02 0.00 0.01 0.00 0.00 54.97 54.13 2rml s GLU 74 Cb -0.11 -2.05 -0.04 0.00 -4.31 0.00 0.00 34.13 27.62 2rml s GLU 74 CO 0.28 0.46 0.15 -1.59 0.01 0.00 0.00 175.26 174.57 2rml s LYS 75 N -2.29 3.15 0.04 1.61 -2.85 -1.26 -1.51 119.74 116.63 2rml s LYS 75 Ca 0.18 -0.60 -0.01 0.00 -1.00 0.00 0.00 55.97 54.55 2rml s LYS 75 Cb -0.10 -2.87 -0.03 0.00 -2.06 0.00 0.00 37.83 32.78 2rml s LYS 75 CO 0.10 0.57 -0.02 0.00 0.10 0.00 0.00 175.35 176.11 2rml s ALA 76 N -1.49 0.32 -0.05 0.59 0.00 0.14 -5.00 121.76 116.26 2rml s ALA 76 Ca 0.32 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.38 2rml s ALA 76 Cb -0.12 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2rml s ALA 76 CO 0.25 -0.29 -0.15 -1.21 0.00 0.00 0.00 175.76 174.36 2rml s GLU 77 N -2.95 1.78 0.19 0.00 2.02 -1.26 -0.46 118.70 118.02 2rml s GLU 77 Ca -0.02 -0.53 0.09 0.00 0.02 0.00 0.00 54.97 54.53 2rml s GLU 77 Cb 0.01 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 2rml s GLU 77 CO -0.06 0.14 -0.17 -0.06 0.02 0.00 0.00 175.26 175.13 2rml s PHE 78 N 0.32 1.82 -0.09 1.61 0.40 -0.39 -3.02 117.98 118.63 2rml s PHE 78 Ca -0.09 -0.49 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 2rml s PHE 78 Cb -0.13 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 2rml s PHE 78 CO 0.03 0.38 0.03 0.34 0.70 0.00 0.00 175.22 176.70 2rml s ASP 79 N -3.00 5.46 -0.26 1.36 2.15 0.45 -0.77 116.67 122.05 2rml s ASP 79 Ca 0.20 0.20 -0.16 0.00 0.43 0.00 0.00 52.55 53.22 2rml s ASP 79 Cb -0.04 -1.60 -0.03 0.00 -0.30 0.00 0.00 42.92 40.95 2rml s ASP 79 CO 0.08 0.38 0.41 -0.63 -0.17 0.00 0.00 175.17 175.23 2rml s ILE 80 N -0.87 5.15 -0.29 4.11 1.09 0.53 -1.08 121.20 129.85 2rml s ILE 80 Ca 0.13 0.65 -0.20 0.00 -1.10 0.00 0.00 60.65 60.14 2rml s ILE 80 Cb -0.11 -3.73 -0.01 0.00 -1.06 0.00 0.00 42.46 37.54 2rml s ILE 80 CO 0.03 0.14 0.61 -1.61 -0.10 0.00 0.00 174.94 174.01 2rml s GLU 81 N 2.10 3.96 0.00 2.79 2.02 -1.25 -4.37 118.70 123.96 2rml s GLU 81 Ca 0.17 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.50 2rml s GLU 81 Cb -0.16 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.37 2rml s GLU 81 CO 0.10 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2rml n GLY 82 N 4.37 0.16 3.14 -1.39 0.00 -1.26 -3.36 105.19 106.86 2rml n GLY 82 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2rml n GLY 82 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2rml s MET 83 N 0.00 0.52 0.00 1.61 0.23 -1.26 -4.97 119.30 115.43 2rml s MET 83 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.36 2rml s MET 83 Cb 0.00 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.52 2rml s MET 83 CO 0.00 -0.13 0.17 0.25 -2.03 0.00 0.00 175.02 173.28 2rml n THR 84 N 1.48 0.00 -3.53 3.16 -2.24 -1.26 -4.87 114.28 107.02 2rml n THR 84 Ca -0.22 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2rml n THR 84 Cb 0.56 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.91 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 2.24 1.63 -0.68 0.00 0.00 -1.88 -0.92 119.26 119.64 2rml h ALA 86 Ca -0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2rml h ALA 86 Cb 1.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2rml h ALA 86 CO 0.31 0.35 0.30 0.00 0.00 0.00 0.00 179.25 180.21 2rml h ALA 87 N 1.67 0.88 -0.20 0.00 0.00 -1.97 -0.53 119.26 119.11 2rml h ALA 87 Ca 0.19 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2rml h ALA 87 Cb -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2rml h ALA 87 CO -0.04 0.47 -0.46 0.00 0.00 0.00 0.00 179.25 179.22 2rml h ALA 89 N 1.09 -0.49 -0.20 0.00 0.00 -1.07 -3.24 119.26 115.36 2rml h ALA 89 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2rml h ALA 89 Cb 0.96 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2rml h ALA 89 CO 0.09 -0.74 0.13 -0.97 0.00 0.00 0.00 179.25 177.76 2rml h ASN 90 N -0.55 0.16 -0.93 0.00 -0.73 -0.98 -0.71 115.58 111.84 2rml h ASN 90 Ca -0.05 -0.00 0.25 0.00 1.87 0.00 0.00 56.30 58.37 2rml h ASN 90 Cb 0.42 -0.04 -0.14 0.00 0.27 0.00 0.00 38.32 38.83 2rml h ASN 90 CO 0.08 0.11 0.41 -0.09 -0.37 0.00 0.00 177.43 177.57 2rml h ARG 91 N 0.18 0.33 0.05 6.67 2.43 -1.45 -2.01 114.38 120.59 2rml h ARG 91 Ca 0.08 -0.02 -0.34 0.00 -0.81 0.00 0.00 59.98 58.89 2rml h ARG 91 Cb 0.10 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2rml h ARG 91 CO -0.01 0.22 -1.94 0.44 -1.51 0.00 0.00 179.97 177.16 2rml n ILE 92 N -5.09 1.66 -0.22 1.20 -5.35 -0.47 -4.52 119.36 106.57 2rml n ILE 92 Ca 0.25 -0.73 0.02 0.00 -0.27 0.00 0.00 62.75 62.02 2rml n ILE 92 Cb 0.75 -1.32 0.13 0.00 -1.74 0.00 0.00 39.64 37.46 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 0.03 0.36 -0.06 6.28 4.81 -0.64 0.37 114.58 125.74 2rml h GLU 93 Ca -0.39 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 2rml h GLU 93 Cb 2.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.33 2rml h GLU 93 CO 0.07 0.24 0.12 -0.22 -0.73 0.00 0.00 179.01 178.49 2rml h LYS 94 N 0.37 0.00 0.03 1.92 3.64 -1.62 -0.28 116.57 120.64 2rml h LYS 94 Ca 0.34 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.35 2rml h LYS 94 Cb 0.47 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2rml h LYS 94 CO -0.36 0.00 -2.11 -2.13 -2.27 0.00 0.00 179.45 172.58 2rml n ARG 95 N -3.47 0.63 -0.24 1.90 0.00 -0.31 -4.54 116.66 110.63 2rml n ARG 95 Ca -0.01 0.31 0.02 0.00 -0.00 0.00 0.00 57.85 58.17 2rml n ARG 95 Cb 0.21 -1.61 0.15 0.00 0.00 0.00 0.00 32.46 31.21 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 -0.53 0.39 -1.09 6.15 -0.00 -0.52 -3.22 115.31 116.49 2rml h LEU 96 Ca -0.53 0.08 0.35 0.00 -0.00 0.00 0.00 57.88 57.77 2rml h LEU 96 Cb 1.70 0.02 -0.15 0.00 -0.00 0.00 0.00 40.66 42.23 2rml h LEU 96 CO -0.18 0.21 0.62 -1.13 -0.00 0.00 0.00 178.44 177.95 2rml h ASN 97 N 0.54 0.45 -1.32 -0.43 -0.73 -1.23 -3.09 115.58 109.76 2rml h ASN 97 Ca 0.36 0.18 -0.42 0.00 1.87 0.00 0.00 56.30 58.30 2rml h ASN 97 Cb 0.44 0.14 -0.29 0.00 0.27 0.00 0.00 38.32 38.88 2rml h ASN 97 CO -0.31 -0.16 -0.84 0.29 -0.37 0.00 0.00 177.43 176.04 2rml n LYS 98 N -4.99 0.64 -0.18 6.67 5.02 -1.23 -3.99 118.16 120.11 2rml n LYS 98 Ca 0.33 -2.63 -0.04 0.00 -2.02 0.00 0.00 58.31 53.96 2rml n LYS 98 Cb 1.08 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.74 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rml n ILE 99 N 1.83 0.00 -2.41 -0.18 5.41 -1.17 -4.88 119.36 117.96 2rml n ILE 99 Ca 0.18 -0.09 -0.43 0.00 1.00 0.00 0.00 62.75 63.41 2rml n ILE 99 Cb 0.56 -1.51 -0.02 0.00 -0.71 0.00 0.00 39.64 37.96 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 -3.32 3.81 0.00 0.38 2.02 -1.26 -1.28 118.70 119.05 2rml s GLU 100 Ca 0.09 1.13 0.00 0.00 0.02 0.00 0.00 54.97 56.21 2rml s GLU 100 Cb -0.01 -3.92 0.00 0.00 0.10 0.00 0.00 34.13 30.30 2rml s GLU 100 CO 0.06 -1.26 0.00 0.41 0.02 0.00 0.00 175.26 174.49 2rml n GLY 101 N 4.56 0.89 3.61 -1.39 0.00 -1.19 -4.77 105.19 106.90 2rml n GLY 101 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.52 4.89 -0.14 1.61 1.01 -0.40 -1.62 120.40 122.23 2rml s VAL 102 Ca 0.00 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.05 2rml s VAL 102 Cb 0.00 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.10 2rml s VAL 102 CO 0.00 -0.15 0.30 0.00 0.00 0.00 0.00 175.10 175.24 2rml n ALA 103 N 5.97 1.26 -3.13 5.51 0.00 0.05 -4.42 120.51 125.75 2rml n ALA 103 Ca 0.01 -0.85 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 2rml n ALA 103 Cb 0.49 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 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 -6.42 -0.14 -0.48 0.00 0.01 -0.55 -4.52 114.94 102.83 2rml s ASN 104 Ca -0.18 -0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.00 2rml s ASN 104 Cb 0.07 0.32 0.19 0.00 0.41 0.00 0.00 41.25 42.24 2rml s ASN 104 CO 0.76 -0.50 0.70 0.00 -1.51 0.00 0.00 177.10 176.55 2rml s ALA 105 N -1.79 -2.21 -0.10 0.60 0.00 -1.26 -0.72 121.76 116.29 2rml s ALA 105 Ca -0.10 -0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 2rml s ALA 105 Cb -0.04 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 2rml s ALA 105 CO 0.01 -2.24 0.92 -1.25 0.00 0.00 0.00 175.76 173.21 2rml s PRO 106 N 1.17 4.42 0.14 0.00 0.04 -1.11 -4.23 135.00 135.44 2rml s PRO 106 Ca 0.26 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 2rml s PRO 106 Cb -0.01 -3.52 -0.06 0.00 0.04 0.00 0.00 34.50 30.94 2rml s PRO 106 CO -0.06 -0.22 0.46 0.08 0.04 0.00 0.00 177.00 177.30 2rml s VAL 107 N 1.71 5.02 0.00 -0.36 1.01 -1.26 -1.84 120.40 124.67 2rml s VAL 107 Ca 0.45 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2rml s VAL 107 Cb -0.18 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2rml s VAL 107 CO 0.18 0.14 0.00 -3.20 0.00 0.00 0.00 175.10 172.22 2rml n ASN 108 N 0.45 0.00 0.00 3.32 2.85 0.18 -4.97 115.26 117.09 2rml n ASN 108 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2rml n ASN 108 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2rml n ASN 108 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2rml n PHE 109 N 0.00 0.00 -0.03 1.20 -1.74 -1.26 -4.74 117.46 110.89 2rml n PHE 109 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.85 2rml n PHE 109 Cb 0.00 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 40.97 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2rml n ALA 110 N -0.16 1.88 1.02 1.98 0.00 -1.26 -2.65 120.51 121.32 2rml n ALA 110 Ca 0.00 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.33 2rml n ALA 110 Cb 0.00 0.36 0.62 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.65 0.00 -0.17 0.00 7.99 -1.26 -4.95 117.00 115.97 2rml n LEU 111 Ca -0.10 0.47 -0.02 0.00 -0.01 0.00 0.00 56.01 56.35 2rml n LEU 111 Cb 0.61 -0.47 -0.01 0.00 -0.11 0.00 0.00 43.42 43.44 2rml n LEU 111 CO 0.06 -0.02 -0.02 -0.62 -1.51 0.00 0.00 177.39 175.28 2rml n GLU 112 N -1.47 -0.61 -2.95 3.23 1.02 -1.26 -4.96 120.64 113.63 2rml n GLU 112 Ca 0.08 0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 57.38 2rml n GLU 112 Cb 0.32 -3.94 0.03 0.00 -0.02 0.00 0.00 31.44 27.83 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 -1.85 2.69 -0.03 2.62 -4.23 -1.26 -0.34 115.64 113.24 2rml s THR 113 Ca 0.00 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 2rml s THR 113 Cb 0.00 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.10 2rml s THR 113 CO 0.00 0.00 0.08 0.54 -0.54 0.00 0.00 174.62 174.70 2rml s VAL 114 N -2.52 0.01 -0.22 2.29 0.11 0.05 -0.65 120.40 119.47 2rml s VAL 114 Ca 0.58 -0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.45 2rml s VAL 114 Cb -0.09 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2rml s VAL 114 CO 0.36 -0.04 0.16 -0.89 -3.33 0.00 0.00 175.10 171.36 2rml s THR 115 N -0.08 5.37 -0.04 5.04 2.01 -0.77 -1.26 115.64 125.92 2rml s THR 115 Ca -0.01 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.28 2rml s THR 115 Cb -0.01 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2rml s THR 115 CO 0.00 0.38 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.38 2rml s VAL 116 N 0.74 2.17 -0.18 3.82 1.01 0.39 -2.74 120.40 125.61 2rml s VAL 116 Ca 0.09 -1.05 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 2rml s VAL 116 Cb -0.12 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2rml s VAL 116 CO 0.02 0.58 0.09 -1.61 0.00 0.00 0.00 175.10 174.18 2rml s GLU 117 N -0.44 0.09 0.27 2.72 2.02 0.10 -0.69 118.70 122.77 2rml s GLU 117 Ca 0.05 -0.13 -0.21 0.00 0.02 0.00 0.00 54.97 54.70 2rml s GLU 117 Cb -0.12 -1.77 0.04 0.00 0.10 0.00 0.00 34.13 32.38 2rml s GLU 117 CO 0.01 -0.70 0.79 1.52 0.02 0.00 0.00 175.26 176.90 2rml s TYR 118 N 2.13 -0.11 -0.51 1.61 1.13 -0.57 -0.77 117.35 120.27 2rml s TYR 118 Ca 0.03 -0.36 -0.21 0.00 -1.41 0.00 0.00 57.07 55.11 2rml s TYR 118 Cb -0.16 0.72 0.05 0.00 -1.10 0.00 0.00 41.96 41.47 2rml s TYR 118 CO -0.12 -1.21 0.73 -0.80 -2.51 0.00 0.00 175.55 171.64 2rml s ASN 119 N -2.98 6.28 0.49 -0.18 -0.87 -0.64 -0.98 114.94 116.06 2rml s ASN 119 Ca 0.13 -0.62 0.33 0.00 -1.57 0.00 0.00 52.86 51.13 2rml s ASN 119 Cb -0.05 -2.34 1.56 0.00 -0.02 0.00 0.00 41.25 40.40 2rml s ASN 119 CO 0.07 -0.97 1.99 1.55 -2.57 0.00 0.00 177.10 177.17 2rml h PRO 120 N 9.07 0.00 -1.09 -0.60 0.13 -1.84 -3.09 132.00 134.58 2rml h PRO 120 Ca -0.27 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.18 2rml h PRO 120 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2rml h PRO 120 CO 0.99 0.00 0.91 -0.22 -0.23 0.00 0.00 178.00 179.45 2rml h LYS 121 N 0.00 0.00 0.00 0.86 3.11 -1.92 -3.00 116.57 115.63 2rml h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2rml h LYS 121 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2rml h LYS 121 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.03 2rml n GLU 122 N -3.85 -0.03 -3.46 1.90 -0.58 -1.17 -5.10 120.64 108.35 2rml n GLU 122 Ca 0.23 -0.44 -0.13 0.00 -0.42 0.00 0.00 57.16 56.40 2rml n GLU 122 Cb 1.27 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 31.34 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml s ALA 123 N -0.12 -1.58 0.00 0.62 0.00 -1.13 -5.02 121.76 114.52 2rml s ALA 123 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2rml s ALA 123 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2rml s ALA 123 CO 0.00 -0.67 0.00 0.45 0.00 0.00 0.00 175.76 175.54 2rml n SER 124 N -0.06 0.00 0.24 0.00 2.88 -1.26 -4.53 113.62 110.89 2rml n SER 124 Ca -0.17 -0.84 0.06 0.00 -1.33 0.00 0.00 58.87 56.59 2rml n SER 124 Cb 0.63 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.64 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 0.84 1.06 -0.22 2.46 2.07 -2.00 -1.14 116.25 119.32 2rml h VAL 125 Ca 0.00 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2rml h VAL 125 Cb 0.00 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2rml h VAL 125 CO 0.00 0.13 0.03 -1.28 0.02 0.00 0.00 177.57 176.47 2rml h SER 126 N 0.00 -0.01 -0.49 0.57 0.87 -1.99 -0.79 113.55 111.72 2rml h SER 126 Ca -0.00 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 2rml h SER 126 Cb 0.24 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2rml h SER 126 CO 0.02 0.02 0.01 0.44 -0.53 0.00 0.00 176.83 176.79 2rml h ASP 127 N 0.11 0.88 -0.08 6.23 3.32 -1.62 0.15 116.42 125.41 2rml h ASP 127 Ca 0.10 -0.22 -0.17 0.00 0.02 0.00 0.00 57.03 56.76 2rml h ASP 127 Cb 0.11 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2rml h ASP 127 CO -0.14 0.93 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.69 2rml h LEU 128 N 0.84 0.74 0.89 1.55 3.38 -1.35 0.85 115.31 122.21 2rml h LEU 128 Ca 0.16 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2rml h LEU 128 Cb 0.48 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2rml h LEU 128 CO 0.02 1.13 -0.43 0.11 0.09 0.00 0.00 178.44 179.37 2rml h LYS 129 N 0.51 -1.15 -0.87 1.13 1.57 -0.92 -3.11 116.57 113.73 2rml h LYS 129 Ca 0.01 0.08 0.15 0.00 -1.87 0.00 0.00 60.65 59.02 2rml h LYS 129 Cb 1.11 0.26 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 2rml h LYS 129 CO 0.11 -0.76 0.56 0.93 -0.57 0.00 0.00 179.45 179.72 2rml h GLU 130 N -1.24 0.62 0.00 3.15 5.08 -0.57 0.73 114.58 122.36 2rml h GLU 130 Ca -0.12 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2rml h GLU 130 Cb 0.92 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2rml h GLU 130 CO 0.20 0.41 -0.11 0.00 -1.00 0.00 0.00 179.01 178.52 2rml h ALA 131 N 1.61 0.96 0.00 3.43 0.00 -0.92 -3.26 119.26 121.08 2rml h ALA 131 Ca 0.44 -0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.91 2rml h ALA 131 Cb 0.75 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2rml h ALA 131 CO -0.19 0.13 -2.18 0.28 0.00 0.00 0.00 179.25 177.29 2rml n VAL 132 N -3.16 1.44 -0.32 0.00 0.31 -0.16 -4.16 118.33 112.28 2rml n VAL 132 Ca 0.02 -0.84 0.08 0.00 -0.01 0.00 0.00 64.34 63.59 2rml n VAL 132 Cb 0.48 -0.63 0.28 0.00 -0.91 0.00 0.00 33.84 33.06 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 0.84 -0.00 4.52 1.82 -1.03 -0.93 116.42 121.64 2rml h ASP 133 Ca -0.46 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2rml h ASP 133 Cb 2.17 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 42.04 2rml h ASP 133 CO 0.04 0.47 0.00 0.50 -1.61 0.00 0.00 179.24 178.65 2rml h LYS 134 N 0.92 0.00 0.00 0.28 3.11 -1.72 -0.78 116.57 118.38 2rml h LYS 134 Ca 0.45 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.29 2rml h LYS 134 Cb 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2rml h LYS 134 CO -0.21 0.00 -1.62 1.28 -2.81 0.00 0.00 179.45 176.08 2rml n LEU 135 N -3.47 0.33 0.00 5.20 7.99 -0.46 -5.04 117.00 121.55 2rml n LEU 135 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 2rml n LEU 135 Cb 0.08 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 2rml n LEU 135 CO 0.24 -0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.66 2rml n GLY 136 N 1.24 1.25 0.00 -0.72 0.00 -0.30 -5.05 105.19 101.60 2rml n GLY 136 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.19 0.00 -3.93 1.61 4.01 -1.16 -4.98 117.16 111.52 2rml n TYR 137 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.65 2rml n TYR 137 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 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 3.09 1.78 -0.25 -0.72 0.00 -1.21 -4.15 119.74 118.27 2rml s LYS 138 Ca 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 55.97 54.75 2rml s LYS 138 Cb 0.00 0.54 0.06 0.00 0.00 0.00 0.00 37.83 38.43 2rml s LYS 138 CO 0.00 -0.78 -0.11 -0.51 0.00 0.00 0.00 175.35 173.95 2rml s LEU 139 N -3.01 3.14 0.25 2.77 1.43 -1.26 -3.75 118.68 118.24 2rml s LEU 139 Ca 0.18 -1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 51.71 2rml s LEU 139 Cb -0.03 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 2rml s LEU 139 CO 0.10 -0.18 1.02 -0.54 0.23 0.00 0.00 176.35 176.98 2rml s LYS 140 N 1.17 4.74 0.50 1.70 -0.14 -0.24 -4.92 119.74 122.55 2rml s LYS 140 Ca -0.07 1.64 -0.09 0.00 -1.36 0.00 0.00 55.97 56.09 2rml s LYS 140 Cb -0.19 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 32.66 2rml s LYS 140 CO -0.06 0.34 0.86 -0.51 -0.76 0.00 0.00 175.35 175.22 2rml s LEU 141 N -1.17 3.59 -0.22 3.17 1.43 -1.26 -0.41 118.68 123.81 2rml s LEU 141 Ca 0.43 1.18 -0.18 0.00 -1.03 0.00 0.00 54.13 54.53 2rml s LEU 141 Cb -0.29 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 2rml s LEU 141 CO 0.36 -0.60 0.49 -0.75 0.23 0.00 0.00 176.35 176.08 2rml s LYS 142 N -4.52 4.14 0.00 1.70 2.20 -1.17 -0.81 119.74 121.29 2rml s LYS 142 Ca 0.52 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 2rml s LYS 142 Cb -0.10 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2rml s LYS 142 CO 0.42 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.62 2rml n GLY 143 N 4.08 1.99 0.65 5.54 0.00 0.22 -4.69 105.19 112.97 2rml n GLY 143 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.00 0.04 1.61 -0.58 -1.26 -2.86 120.64 118.59 2rml n GLU 144 Ca 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2rml n GLU 144 Cb 0.00 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.15 0.00 0.07 3.49 7.27 -1.07 -4.56 117.38 122.72 2rml n GLN 145 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2rml n GLN 145 Cb 0.32 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.87 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 0.02 0.00 1.69 3.58 -1.19 -3.46 116.42 117.06 2rml h ASP 146 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2rml h ASP 146 Cb 0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2rml h ASP 146 CO 0.00 1.00 0.00 -1.20 -2.88 0.00 0.00 179.24 176.16