#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml n LEU 2 N 0.00 0.00 -0.06 3.17 -0.00 -1.26 -5.08 117.00 113.77 2rml n LEU 2 Ca 0.00 -1.36 -0.04 0.00 -0.00 0.00 0.00 56.01 54.61 2rml n LEU 2 Cb 0.00 2.41 -0.11 0.00 -0.00 0.00 0.00 43.42 45.72 2rml n LEU 2 CO 0.00 -0.45 -0.90 -0.24 -0.00 0.00 0.00 177.39 175.80 2rml n SER 3 N -1.21 1.60 -3.54 1.45 2.88 -1.26 -5.08 113.62 108.47 2rml n SER 3 Ca -0.03 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 2rml n SER 3 Cb 0.46 1.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.90 2rml n SER 3 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2rml s GLU 4 N -2.47 0.64 0.28 -1.46 -1.05 -1.26 -5.18 118.70 108.21 2rml s GLU 4 Ca -0.07 -0.20 0.12 0.00 -0.15 0.00 0.00 54.97 54.67 2rml s GLU 4 Cb 0.05 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 2rml s GLU 4 CO 0.57 -0.27 -0.19 -0.65 0.95 0.00 0.00 175.26 175.67 2rml s GLN 5 N -2.71 1.67 0.05 -4.83 -0.21 -1.26 -4.49 119.66 107.88 2rml s GLN 5 Ca 0.06 -1.77 0.08 0.00 0.02 0.00 0.00 55.36 53.75 2rml s GLN 5 Cb -0.01 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 2rml s GLN 5 CO -0.07 0.31 -0.22 0.15 -2.12 0.00 0.00 175.29 173.34 2rml s LYS 6 N -3.52 1.45 -0.03 2.91 -0.14 -0.56 -4.96 119.74 114.88 2rml s LYS 6 Ca 0.30 -1.00 0.07 0.00 -1.36 0.00 0.00 55.97 53.98 2rml s LYS 6 Cb -0.04 -1.60 -0.02 0.00 -1.68 0.00 0.00 37.83 34.49 2rml s LYS 6 CO 0.15 0.41 -0.25 -1.83 -0.76 0.00 0.00 175.35 173.06 2rml s GLU 7 N -1.26 2.26 0.13 1.68 -1.05 -1.26 -1.06 118.70 118.14 2rml s GLU 7 Ca 0.08 -0.91 -0.06 0.00 -0.15 0.00 0.00 54.97 53.93 2rml s GLU 7 Cb -0.09 -2.07 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 2rml s GLU 7 CO 0.02 0.49 0.18 0.96 0.95 0.00 0.00 175.26 177.85 2rml s ILE 8 N -0.43 0.11 0.06 1.83 -4.36 -0.20 -4.87 121.20 113.35 2rml s ILE 8 Ca 0.05 -1.49 -0.12 0.00 -0.26 0.00 0.00 60.65 58.82 2rml s ILE 8 Cb -0.11 -1.72 0.01 0.00 1.25 0.00 0.00 42.46 41.89 2rml s ILE 8 CO 0.01 -0.50 0.27 0.00 0.24 0.00 0.00 174.94 174.96 2rml s ALA 9 N -3.95 -0.56 0.08 2.27 0.00 -1.26 -0.26 121.76 118.08 2rml s ALA 9 Ca 0.14 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2rml s ALA 9 Cb 0.05 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.62 2rml s ALA 9 CO -0.03 -0.46 0.47 -1.64 0.00 0.00 0.00 175.76 174.10 2rml s MET 10 N -3.05 1.05 0.37 0.00 -1.94 -0.49 -3.61 119.30 111.64 2rml s MET 10 Ca -0.01 -0.43 -0.22 0.00 -1.71 0.00 0.00 55.69 53.31 2rml s MET 10 Cb 0.01 0.48 -0.10 0.00 2.01 0.00 0.00 34.83 37.22 2rml s MET 10 CO -0.06 -0.40 0.91 -1.14 -0.01 0.00 0.00 175.02 174.32 2rml s GLN 11 N -3.03 4.32 -0.00 2.03 -0.44 -1.26 -0.38 119.66 120.90 2rml s GLN 11 Ca -0.02 1.12 -0.03 0.00 -2.50 0.00 0.00 55.36 53.93 2rml s GLN 11 Cb 0.00 -2.45 -0.00 0.00 -1.64 0.00 0.00 33.01 28.92 2rml s GLN 11 CO -0.06 0.12 0.05 0.54 0.50 0.00 0.00 175.29 176.44 2rml s VAL 12 N -1.94 0.06 -0.13 1.34 0.11 -0.43 -4.33 120.40 115.08 2rml s VAL 12 Ca 0.56 -0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 2rml s VAL 12 Cb -0.13 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2rml s VAL 12 CO 0.17 -0.28 0.08 -0.55 -3.33 0.00 0.00 175.10 171.19 2rml s SER 13 N -0.89 5.87 0.00 3.54 0.15 0.32 -4.63 113.70 118.06 2rml s SER 13 Ca -0.10 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2rml s SER 13 Cb -0.06 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2rml s SER 13 CO 0.00 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2rml n GLY 14 N 2.53 0.82 0.33 9.45 0.00 -1.26 -1.61 105.19 115.45 2rml n GLY 14 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.47 0.79 0.00 1.61 2.81 -1.26 -4.51 117.12 115.09 2rml n MET 15 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 2rml n MET 15 Cb 0.00 -1.26 0.33 0.00 -0.71 0.00 0.00 33.22 31.58 2rml n MET 15 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2rml n THR 16 N -0.10 0.00 -1.26 2.03 -1.04 -1.26 -2.93 114.28 109.72 2rml n THR 16 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2rml n THR 16 Cb 0.13 -0.65 0.19 0.00 -1.82 0.00 0.00 70.33 68.19 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 -1.12 0.00 0.20 0.00 0.00 -1.15 -4.21 120.51 114.24 2rml n ALA 18 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.71 2rml n ALA 18 Cb 0.78 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.53 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 1.23 -0.34 0.00 0.00 -1.26 -1.87 120.51 118.27 2rml n ALA 19 Ca 0.00 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2rml n ALA 19 Cb 0.00 -1.19 0.31 0.00 0.00 0.00 0.00 19.45 18.57 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 1.64 -0.53 -0.15 0.00 0.00 -1.66 -2.53 119.26 116.03 2rml h ALA 21 Ca 0.57 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.45 2rml h ALA 21 Cb 0.88 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2rml h ALA 21 CO -0.39 -0.83 -0.19 0.00 0.00 0.00 0.00 179.25 177.84 2rml h ALA 22 N 0.10 -0.12 -0.85 0.00 0.00 -1.47 -0.83 119.26 116.09 2rml h ALA 22 Ca -0.00 0.05 0.22 0.00 0.00 0.00 0.00 54.91 55.18 2rml h ALA 22 Cb 0.51 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 2rml h ALA 22 CO -0.07 -0.64 0.11 0.00 0.00 0.00 0.00 179.25 178.65 2rml h ARG 23 N -0.24 0.13 -0.04 0.00 2.47 -1.01 0.80 114.38 116.49 2rml h ARG 23 Ca 0.10 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.74 2rml h ARG 23 Cb 0.39 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2rml h ARG 23 CO -0.28 0.08 -0.28 0.82 0.56 0.00 0.00 179.97 180.87 2rml h ILE 24 N 0.13 1.46 -0.20 2.04 5.03 -0.91 -0.41 117.51 124.67 2rml h ILE 24 Ca 0.51 -1.78 0.03 0.00 -0.12 0.00 0.00 64.86 63.50 2rml h ILE 24 Cb 0.98 2.48 -0.03 0.00 -3.03 0.00 0.00 36.82 37.22 2rml h ILE 24 CO -0.71 0.50 0.03 -0.33 -0.68 0.00 0.00 178.15 176.96 2rml h GLU 25 N -0.29 0.10 0.14 2.37 5.08 -0.77 -1.55 114.58 119.65 2rml h GLU 25 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2rml h GLU 25 Cb 0.96 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2rml h GLU 25 CO 0.06 0.06 -0.07 0.87 -1.00 0.00 0.00 179.01 178.94 2rml h LYS 26 N 0.10 -0.18 -0.73 2.33 1.57 -0.95 0.17 116.57 118.88 2rml h LYS 26 Ca 0.09 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2rml h LYS 26 Cb 0.09 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 2rml h LYS 26 CO -0.13 -0.10 0.48 0.78 -0.57 0.00 0.00 179.45 179.91 2rml h GLY 27 N -0.21 0.87 0.06 3.86 0.00 -0.79 -0.46 103.07 106.39 2rml h GLY 27 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 2rml h GLY 27 CO 0.03 0.14 -0.01 1.41 0.00 0.00 0.00 176.54 178.11 2rml h LEU 28 N 0.60 -0.01 -2.63 3.11 3.38 -1.23 -3.36 115.31 115.16 2rml h LEU 28 Ca 0.34 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2rml h LEU 28 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2rml h LEU 28 CO -0.12 0.83 0.09 0.50 0.09 0.00 0.00 178.44 179.83 2rml h LYS 29 N -0.96 0.00 0.00 1.13 3.64 -0.62 -0.51 116.57 119.25 2rml h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rml h LYS 29 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2rml h LYS 29 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2rml h ARG 30 N 0.00 0.00 -6.80 1.90 2.47 -1.24 -3.45 114.38 107.26 2rml h ARG 30 Ca 0.01 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.25 2rml h ARG 30 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.49 2rml h ARG 30 CO -0.00 0.00 0.29 -1.64 0.56 0.00 0.00 179.97 179.18 2rml s MET 31 N -3.86 4.52 -0.01 0.04 -1.94 -0.20 -5.02 119.30 112.83 2rml s MET 31 Ca -0.01 1.23 -0.24 0.00 -1.71 0.00 0.00 55.69 54.95 2rml s MET 31 Cb 0.11 -2.85 -0.17 0.00 2.01 0.00 0.00 34.83 33.93 2rml s MET 31 CO 0.48 0.32 1.15 -1.00 -0.01 0.00 0.00 175.02 175.96 2rml h PRO 32 N 3.29 -0.31 -1.41 2.03 0.13 -1.88 -3.30 132.00 130.56 2rml h PRO 32 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rml h PRO 32 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2rml h PRO 32 CO 0.65 0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 2rml n GLY 33 N -0.04 1.76 2.90 1.56 0.00 -1.26 -4.64 105.19 105.47 2rml n GLY 33 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.24 0.55 -0.05 1.61 1.01 -1.24 -1.29 120.40 121.23 2rml s VAL 34 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2rml s VAL 34 Cb 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2rml s VAL 34 CO 0.00 0.23 0.18 0.74 0.00 0.00 0.00 175.10 176.25 2rml h THR 35 N 6.13 0.00 -2.23 3.92 2.02 -0.73 -3.47 112.91 118.55 2rml h THR 35 Ca -0.38 -0.57 0.17 0.00 0.77 0.00 0.00 66.41 66.40 2rml h THR 35 Cb 1.15 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.46 2rml h THR 35 CO 0.48 0.00 0.52 1.51 0.37 0.00 0.00 175.52 178.40 2rml s ASP 36 N -4.48 -0.22 -0.01 4.18 1.47 -0.66 -4.96 116.67 111.97 2rml s ASP 36 Ca -0.02 -0.25 -0.04 0.00 1.18 0.00 0.00 52.55 53.43 2rml s ASP 36 Cb 0.00 0.42 -0.00 0.00 -0.34 0.00 0.00 42.92 43.00 2rml s ASP 36 CO 0.05 -0.75 0.07 0.00 0.68 0.00 0.00 175.17 175.23 2rml s ALA 37 N -3.14 -0.17 -0.15 2.11 0.00 -1.26 -0.80 121.76 118.34 2rml s ALA 37 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 2rml s ALA 37 Cb -0.01 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.18 2rml s ALA 37 CO -0.02 -0.12 0.26 -0.80 0.00 0.00 0.00 175.76 175.08 2rml s ASN 38 N -0.73 0.57 -0.32 0.00 0.01 -0.03 -4.85 114.94 109.59 2rml s ASN 38 Ca -0.08 0.40 -0.09 0.00 -0.71 0.00 0.00 52.86 52.38 2rml s ASN 38 Cb -0.05 0.65 0.01 0.00 0.41 0.00 0.00 41.25 42.27 2rml s ASN 38 CO 0.00 -0.26 0.14 -0.69 -1.51 0.00 0.00 177.10 174.79 2rml s VAL 39 N 2.40 4.37 -1.28 1.60 1.01 -1.26 -1.13 120.40 126.12 2rml s VAL 39 Ca 0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2rml s VAL 39 Cb -0.13 -3.31 0.13 0.00 0.00 0.00 0.00 36.38 33.07 2rml s VAL 39 CO -0.10 -0.02 1.70 -3.20 0.00 0.00 0.00 175.10 173.48 2rml n ASN 40 N 4.94 4.96 -0.24 3.32 5.15 0.53 -4.83 115.26 129.10 2rml n ASN 40 Ca -0.13 -2.97 0.12 0.00 -0.60 0.00 0.00 54.58 50.99 2rml n ASN 40 Cb 0.48 -1.61 0.39 0.00 -0.53 0.00 0.00 39.78 38.51 2rml n ASN 40 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2rml h LEU 41 N 10.11 0.61 0.00 1.20 6.46 -1.93 -1.26 115.31 130.51 2rml h LEU 41 Ca 0.40 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 2rml h LEU 41 Cb 0.79 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2rml h LEU 41 CO 1.46 0.33 0.00 0.00 -0.62 0.00 0.00 178.44 179.61 2rml n ALA 42 N -2.45 1.71 -0.02 1.25 0.00 -1.26 -1.24 120.51 118.50 2rml n ALA 42 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2rml n ALA 42 Cb 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.17 0.00 -0.83 0.00 -1.04 -0.67 -5.03 114.28 105.53 2rml n THR 43 Ca 0.06 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2rml n THR 43 Cb 0.06 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.71 0.00 -4.48 -2.82 2.13 -0.37 -5.02 120.64 109.36 2rml n GLU 44 Ca 0.00 0.38 -0.34 0.00 0.66 0.00 0.00 57.16 57.86 2rml n GLU 44 Cb 0.00 -3.26 -0.13 0.00 0.27 0.00 0.00 31.44 28.33 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 -2.00 3.70 -0.12 6.31 2.01 -0.64 -1.31 115.64 123.59 2rml s THR 45 Ca 0.00 -0.43 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 2rml s THR 45 Cb 0.00 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2rml s THR 45 CO 0.00 0.50 0.10 -0.55 -0.69 0.00 0.00 174.62 173.98 2rml s SER 46 N 0.37 6.09 -0.05 3.53 0.15 0.49 -0.34 113.70 123.94 2rml s SER 46 Ca -0.06 0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.98 2rml s SER 46 Cb -0.15 -1.93 0.01 0.00 -1.71 0.00 0.00 66.02 62.25 2rml s SER 46 CO 0.04 0.38 -0.09 0.20 1.20 0.00 0.00 173.24 174.97 2rml s ASN 47 N -0.87 1.36 -0.01 5.45 0.01 -0.28 -1.39 114.94 119.21 2rml s ASN 47 Ca 0.14 -0.22 -0.00 0.00 -0.71 0.00 0.00 52.86 52.07 2rml s ASN 47 Cb -0.12 -0.56 0.00 0.00 0.41 0.00 0.00 41.25 40.99 2rml s ASN 47 CO 0.03 0.02 0.02 -0.69 -1.51 0.00 0.00 177.10 174.97 2rml s VAL 48 N 0.58 -0.00 -0.07 1.60 1.01 0.64 -0.85 120.40 123.31 2rml s VAL 48 Ca -0.10 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2rml s VAL 48 Cb -0.13 -0.03 0.01 0.00 0.00 0.00 0.00 36.38 36.23 2rml s VAL 48 CO 0.02 0.00 -0.13 -0.63 0.00 0.00 0.00 175.10 174.36 2rml s ILE 49 N 0.04 1.23 0.20 2.22 1.09 0.02 -1.03 121.20 124.97 2rml s ILE 49 Ca -0.00 -0.53 -0.06 0.00 -1.10 0.00 0.00 60.65 58.96 2rml s ILE 49 Cb -0.00 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.25 2rml s ILE 49 CO -0.00 0.38 0.26 -0.72 -0.10 0.00 0.00 174.94 174.76 2rml s TYR 50 N 0.68 0.73 -0.42 3.97 1.13 -0.22 -0.06 117.35 123.17 2rml s TYR 50 Ca -0.14 -1.04 -0.18 0.00 -1.41 0.00 0.00 57.07 54.29 2rml s TYR 50 Cb -0.16 -0.22 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 2rml s TYR 50 CO 0.04 -0.75 0.51 0.34 -2.51 0.00 0.00 175.55 173.18 2rml s ASP 51 N -3.07 6.25 -0.18 -0.18 -1.08 -0.41 -1.49 116.67 116.51 2rml s ASP 51 Ca 0.28 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.84 2rml s ASP 51 Cb 0.04 -2.26 0.26 0.00 -1.46 0.00 0.00 42.92 39.50 2rml s ASP 51 CO 0.08 -0.63 1.41 -0.81 0.52 0.00 0.00 175.17 175.73 2rml n PRO 52 N 5.84 1.51 0.00 4.34 -0.04 -1.26 -1.30 135.00 144.08 2rml n PRO 52 Ca -0.05 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 2rml n PRO 52 Cb 0.48 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.12 1.64 -0.06 0.55 0.00 -1.26 -4.82 120.51 116.45 2rml n ALA 53 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 2rml n ALA 53 Cb 0.95 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 20.37 2rml n ALA 53 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rml n GLU 54 N -1.42 0.68 -5.09 0.00 2.13 -1.20 -4.98 120.64 110.75 2rml n GLU 54 Ca 0.00 0.17 -0.32 0.00 0.66 0.00 0.00 57.16 57.67 2rml n GLU 54 Cb 0.23 -1.65 -0.15 0.00 0.27 0.00 0.00 31.44 30.14 2rml n GLU 54 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2rml s THR 55 N -2.54 2.48 0.21 6.31 2.01 -0.42 -4.93 115.64 118.75 2rml s THR 55 Ca -0.15 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 60.98 2rml s THR 55 Cb 0.07 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2rml s THR 55 CO 0.78 0.57 0.34 -0.83 -0.69 0.00 0.00 174.62 174.79 2rml s GLY 56 N -0.24 1.44 0.22 4.40 0.00 -1.26 -4.27 107.32 107.61 2rml s GLY 56 Ca -0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 2rml s GLY 56 CO 0.03 -1.12 1.64 0.00 0.00 0.00 0.00 173.10 173.65 2rml h THR 57 N 1.36 0.40 0.00 0.90 1.03 -1.99 -1.72 112.91 112.90 2rml h THR 57 Ca -0.50 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 2rml h THR 57 Cb 1.21 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.64 2rml h THR 57 CO 0.64 0.01 0.00 0.00 -0.01 0.00 0.00 175.52 176.16 2rml h ALA 58 N 1.62 1.00 -0.36 0.00 0.00 -1.97 -2.28 119.26 117.27 2rml h ALA 58 Ca 0.33 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2rml h ALA 58 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2rml h ALA 58 CO -0.61 0.00 0.25 0.00 0.00 0.00 0.00 179.25 178.89 2rml h ALA 59 N 2.01 2.06 -0.01 0.00 0.00 -1.72 -0.39 119.26 121.20 2rml h ALA 59 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2rml h ALA 59 Cb 0.19 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2rml h ALA 59 CO 0.00 -0.14 -0.45 0.82 0.00 0.00 0.00 179.25 179.49 2rml h ILE 60 N 0.22 1.47 -0.39 0.00 2.04 -1.59 -1.38 117.51 117.87 2rml h ILE 60 Ca 0.16 -1.99 -0.14 0.00 1.00 0.00 0.00 64.86 63.90 2rml h ILE 60 Cb 0.37 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 2rml h ILE 60 CO -0.03 0.57 -0.30 0.06 0.00 0.00 0.00 178.15 178.45 2rml h GLN 61 N -0.24 0.85 -0.92 2.37 3.07 -1.66 -2.88 115.11 115.70 2rml h GLN 61 Ca -0.05 -0.39 0.07 0.00 0.09 0.00 0.00 58.65 58.36 2rml h GLN 61 Cb 1.16 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 28.65 2rml h GLN 61 CO 0.09 1.03 0.58 1.49 0.09 0.00 0.00 178.83 182.11 2rml h GLU 62 N 0.72 1.01 0.00 0.06 4.81 -1.12 -2.50 114.58 117.56 2rml h GLU 62 Ca 0.08 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2rml h GLU 62 Cb 0.85 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2rml h GLU 62 CO 0.07 0.67 -0.27 0.87 -0.73 0.00 0.00 179.01 179.63 2rml h LYS 63 N 1.04 0.00 0.24 1.92 6.56 -1.04 -1.12 116.57 124.18 2rml h LYS 63 Ca 0.40 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.98 2rml h LYS 63 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2rml h LYS 63 CO -0.18 0.27 -0.11 0.82 -2.06 0.00 0.00 179.45 178.18 2rml h ILE 64 N 0.00 0.71 -0.35 1.86 2.04 -1.32 -3.29 117.51 117.16 2rml h ILE 64 Ca -0.00 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 64.99 2rml h ILE 64 Cb 0.63 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 2rml h ILE 64 CO 0.03 0.16 0.23 -0.33 0.00 0.00 0.00 178.15 178.25 2rml h GLU 65 N -0.86 0.35 0.00 2.37 4.39 -1.42 -1.74 114.58 117.67 2rml h GLU 65 Ca -0.03 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2rml h GLU 65 Cb 0.51 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2rml h GLU 65 CO 0.05 0.23 -0.02 0.87 -1.16 0.00 0.00 179.01 178.98 2rml h LYS 66 N 0.36 0.00 0.00 2.33 1.79 -1.27 -2.83 116.57 116.95 2rml h LYS 66 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2rml h LYS 66 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2rml h LYS 66 CO -0.03 0.02 -0.89 1.28 -1.08 0.00 0.00 179.45 178.75 2rml n LEU 67 N -3.72 0.66 0.00 2.94 7.99 -0.65 -4.98 117.00 119.24 2rml n LEU 67 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 2rml n LEU 67 Cb 0.11 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 2rml n LEU 67 CO 0.27 -0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 2rml n GLY 68 N 1.33 0.66 3.92 -0.72 0.00 -1.07 -5.09 105.19 104.21 2rml n GLY 68 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.36 3.06 0.07 1.61 2.02 -1.25 -5.06 117.35 115.45 2rml s TYR 69 Ca 0.00 0.62 0.08 0.00 -0.37 0.00 0.00 57.07 57.40 2rml s TYR 69 Cb 0.00 -3.10 -0.03 0.00 -0.40 0.00 0.00 41.96 38.43 2rml s TYR 69 CO 0.00 -1.27 -0.22 -1.01 -1.57 0.00 0.00 175.55 171.48 2rml s HIS 70 N -3.24 1.91 0.58 2.71 3.76 -0.63 -3.81 115.29 116.56 2rml s HIS 70 Ca 0.58 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.94 2rml s HIS 70 Cb -0.11 -1.09 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 2rml s HIS 70 CO 0.46 0.16 1.04 0.14 -0.85 0.00 0.00 174.74 175.70 2rml s VAL 71 N -0.95 3.97 -0.14 -0.90 -7.23 -1.26 -0.52 120.40 113.37 2rml s VAL 71 Ca 0.08 0.93 0.02 0.00 -1.81 0.00 0.00 61.98 61.21 2rml s VAL 71 Cb -0.09 -3.46 0.01 0.00 0.56 0.00 0.00 36.38 33.40 2rml s VAL 71 CO 0.03 -0.55 -0.20 0.54 -0.31 0.00 0.00 175.10 174.61 2rml s VAL 72 N -2.50 1.92 -0.05 1.32 0.11 -1.26 -4.82 120.40 115.11 2rml s VAL 72 Ca 0.62 -0.89 -0.13 0.00 -2.93 0.00 0.00 61.98 58.66 2rml s VAL 72 Cb -0.15 -1.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 2rml s VAL 72 CO 0.36 0.52 0.30 0.42 -3.33 0.00 0.00 175.10 173.37 2rml s THR 73 N 0.92 0.04 0.19 5.04 -4.23 -1.26 -4.43 115.64 111.90 2rml s THR 73 Ca -0.05 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2rml s THR 73 Cb -0.15 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 2rml s THR 73 CO -0.03 -0.17 0.00 -0.70 -0.54 0.00 0.00 174.62 173.18 2rml s GLU 74 N -0.77 2.40 -0.08 3.99 2.12 -0.09 -4.93 118.70 121.33 2rml s GLU 74 Ca -0.09 -1.14 -0.01 0.00 0.36 0.00 0.00 54.97 54.09 2rml s GLU 74 Cb -0.04 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 2rml s GLU 74 CO 0.03 0.44 -0.02 -1.59 -0.54 0.00 0.00 175.26 173.58 2rml s LYS 75 N -3.05 2.95 0.02 4.30 -2.85 -1.26 -1.62 119.74 118.22 2rml s LYS 75 Ca 0.28 -0.45 -0.00 0.00 -1.00 0.00 0.00 55.97 54.80 2rml s LYS 75 Cb -0.09 -2.74 -0.02 0.00 -2.06 0.00 0.00 37.83 32.92 2rml s LYS 75 CO 0.19 0.67 -0.02 0.00 0.10 0.00 0.00 175.35 176.28 2rml s ALA 76 N -0.80 0.10 -0.35 0.59 0.00 -0.11 -4.99 121.76 116.20 2rml s ALA 76 Ca 0.12 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 2rml s ALA 76 Cb -0.11 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.18 2rml s ALA 76 CO 0.02 -0.16 0.15 -1.21 0.00 0.00 0.00 175.76 174.56 2rml s GLU 77 N -1.42 2.77 0.16 0.00 2.02 -1.26 -0.45 118.70 120.52 2rml s GLU 77 Ca -0.16 -1.09 -0.12 0.00 0.02 0.00 0.00 54.97 53.62 2rml s GLU 77 Cb -0.10 -3.58 -0.07 0.00 0.10 0.00 0.00 34.13 30.49 2rml s GLU 77 CO -0.01 -0.66 0.51 -0.06 0.02 0.00 0.00 175.26 175.07 2rml s PHE 78 N 1.48 3.54 -0.25 1.61 0.40 -0.26 -3.23 117.98 121.28 2rml s PHE 78 Ca 0.00 0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 57.20 2rml s PHE 78 Cb -0.19 -2.28 -0.02 0.00 0.51 0.00 0.00 43.02 41.04 2rml s PHE 78 CO 0.05 0.40 0.03 0.34 0.70 0.00 0.00 175.22 176.74 2rml s ASP 79 N -1.95 4.86 -0.57 1.36 2.15 -0.54 -1.16 116.67 120.82 2rml s ASP 79 Ca 0.40 -0.34 0.06 0.00 0.43 0.00 0.00 52.55 53.10 2rml s ASP 79 Cb -0.13 -1.86 0.33 0.00 -0.30 0.00 0.00 42.92 40.96 2rml s ASP 79 CO 0.20 -0.05 0.91 -0.38 -0.17 0.00 0.00 175.17 175.68 2rml n ILE 80 N 4.88 2.78 -1.56 4.11 2.08 0.74 -0.66 119.36 131.73 2rml n ILE 80 Ca -0.17 -5.48 -0.26 0.00 0.56 0.00 0.00 62.75 57.40 2rml n ILE 80 Cb 0.51 -1.40 -0.05 0.00 -0.75 0.00 0.00 39.64 37.95 2rml n ILE 80 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2rml s GLU 81 N -3.30 1.87 0.00 0.38 0.41 -1.26 -3.45 118.70 113.35 2rml s GLU 81 Ca 0.47 1.03 0.00 0.00 -0.41 0.00 0.00 54.97 56.07 2rml s GLU 81 Cb 0.27 -4.67 0.00 0.00 -1.78 0.00 0.00 34.13 27.95 2rml s GLU 81 CO -0.12 -3.79 0.00 0.41 -0.49 0.00 0.00 175.26 171.26 2rml n GLY 82 N 6.35 -0.26 2.48 -1.39 0.00 -1.26 -4.38 105.19 106.72 2rml n GLY 82 Ca 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 2rml n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2rml n MET 83 N 0.00 0.89 0.00 1.61 0.00 -1.22 -4.97 117.12 113.42 2rml n MET 83 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 57.70 55.16 2rml n MET 83 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 31.87 2rml n MET 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2rml n THR 84 N 0.85 0.00 -3.70 3.17 -2.24 -1.26 -4.15 114.28 106.96 2rml n THR 84 Ca 0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.80 2rml n THR 84 Cb 0.64 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.57 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 5.40 0.75 -0.06 0.00 0.00 -1.78 -2.14 119.26 121.43 2rml h ALA 86 Ca -0.28 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2rml h ALA 86 Cb 1.18 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2rml h ALA 86 CO 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.10 2rml h ALA 87 N 1.46 1.77 -0.08 0.00 0.00 -1.97 0.15 119.26 120.59 2rml h ALA 87 Ca 0.32 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2rml h ALA 87 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2rml h ALA 87 CO -0.37 0.17 -0.25 0.00 0.00 0.00 0.00 179.25 178.81 2rml h ALA 89 N 0.47 0.23 -0.98 0.00 0.00 -1.06 -2.68 119.26 115.25 2rml h ALA 89 Ca -0.01 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.10 2rml h ALA 89 Cb 0.87 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 2rml h ALA 89 CO 0.05 -0.36 0.58 -0.91 0.00 0.00 0.00 179.25 178.61 2rml h ASN 90 N 0.15 0.77 1.04 0.00 -0.26 -0.78 0.55 115.58 117.05 2rml h ASN 90 Ca 0.09 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 2rml h ASN 90 Cb 0.07 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2rml h ASN 90 CO -0.11 0.31 -0.07 0.03 -1.06 0.00 0.00 177.43 176.53 2rml h ARG 91 N 0.78 0.00 0.17 0.81 3.08 -1.22 -2.73 114.38 115.27 2rml h ARG 91 Ca 0.54 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.25 2rml h ARG 91 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2rml h ARG 91 CO -0.36 0.07 -1.72 -0.84 -1.07 0.00 0.00 179.97 176.05 2rml h ILE 92 N 0.00 0.97 -0.37 2.04 3.07 -1.09 -3.42 117.51 118.71 2rml h ILE 92 Ca -0.00 -2.56 0.07 0.00 1.55 0.00 0.00 64.86 63.92 2rml h ILE 92 Cb 0.61 2.75 -0.09 0.00 -0.27 0.00 0.00 36.82 39.82 2rml h ILE 92 CO 0.01 0.85 -0.34 -0.08 -1.05 0.00 0.00 178.15 177.53 2rml h GLU 93 N 0.10 -0.27 -0.45 0.16 4.22 -0.63 0.65 114.58 118.36 2rml h GLU 93 Ca -0.33 0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.26 2rml h GLU 93 Cb 2.08 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.38 2rml h GLU 93 CO 0.17 -0.18 0.40 -0.22 -2.18 0.00 0.00 179.01 177.00 2rml h LYS 94 N -0.28 0.00 0.06 1.92 3.64 -1.78 0.34 116.57 120.47 2rml h LYS 94 Ca 0.16 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.17 2rml h LYS 94 Cb 0.55 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 2rml h LYS 94 CO -0.52 0.00 -2.14 -2.13 -2.27 0.00 0.00 179.45 172.39 2rml n ARG 95 N -3.96 0.69 -0.30 1.90 0.00 -0.63 -4.48 116.66 109.88 2rml n ARG 95 Ca 0.08 0.25 0.07 0.00 -0.00 0.00 0.00 57.85 58.25 2rml n ARG 95 Cb 0.60 -1.63 0.28 0.00 0.00 0.00 0.00 32.46 31.71 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 -0.12 0.84 -0.57 6.15 -0.00 0.42 -1.77 115.31 120.26 2rml h LEU 96 Ca -0.49 0.03 0.11 0.00 -0.00 0.00 0.00 57.88 57.52 2rml h LEU 96 Cb 1.90 -0.15 -0.11 0.00 -0.00 0.00 0.00 40.66 42.30 2rml h LEU 96 CO -0.03 0.49 -0.25 -1.13 -0.00 0.00 0.00 178.44 177.52 2rml h ASN 97 N 0.92 -0.87 -2.21 -0.43 -0.73 -1.21 -3.36 115.58 107.69 2rml h ASN 97 Ca 0.43 0.20 -0.55 0.00 1.87 0.00 0.00 56.30 58.25 2rml h ASN 97 Cb 0.41 0.47 -0.36 0.00 0.27 0.00 0.00 38.32 39.11 2rml h ASN 97 CO -0.19 -0.26 -0.94 0.29 -0.37 0.00 0.00 177.43 175.96 2rml n LYS 98 N -5.43 0.24 0.06 6.67 4.01 -0.97 -4.32 118.16 118.43 2rml n LYS 98 Ca 0.05 -3.06 -0.12 0.00 -0.51 0.00 0.00 58.31 54.67 2rml n LYS 98 Cb 0.34 -1.63 -0.09 0.00 -0.51 0.00 0.00 35.03 33.14 2rml n LYS 98 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2rml h ILE 99 N 4.54 0.99 0.00 -0.18 2.04 -1.49 -3.46 117.51 119.95 2rml h ILE 99 Ca 0.24 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2rml h ILE 99 Cb 0.93 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2rml h ILE 99 CO 0.34 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 178.08 2rml n GLU 100 N -4.97 0.00 0.00 2.37 1.02 -1.26 -5.02 120.64 112.78 2rml n GLU 100 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2rml n GLU 100 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rml n GLY 101 N 0.00 1.28 3.56 0.62 0.00 -1.24 -4.96 105.19 104.46 2rml n GLY 101 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.11 -0.09 1.61 -7.23 -1.26 -2.05 120.40 112.48 2rml s VAL 102 Ca 0.00 -1.81 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2rml s VAL 102 Cb 0.00 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2rml s VAL 102 CO 0.00 -0.19 -0.11 0.00 -0.31 0.00 0.00 175.10 174.49 2rml n ALA 103 N -0.18 2.25 -2.92 1.32 0.00 -0.07 -4.75 120.51 116.16 2rml n ALA 103 Ca -0.10 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 2rml n ALA 103 Cb 0.57 0.36 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.57 0.51 -0.49 0.00 0.01 -0.69 -4.75 114.94 103.96 2rml s ASN 104 Ca -0.12 -0.50 0.06 0.00 -0.71 0.00 0.00 52.86 51.58 2rml s ASN 104 Cb 0.04 0.07 0.24 0.00 0.41 0.00 0.00 41.25 42.01 2rml s ASN 104 CO 0.17 -0.25 0.87 0.00 -1.51 0.00 0.00 177.10 176.38 2rml n ALA 105 N 1.59 -1.26 -2.00 0.60 0.00 -1.26 -0.69 120.51 117.49 2rml n ALA 105 Ca -0.23 -1.48 -0.42 0.00 0.00 0.00 0.00 53.44 51.31 2rml n ALA 105 Cb 0.55 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 0.62 3.12 0.29 0.00 0.04 -1.09 -4.65 135.00 133.34 2rml s PRO 106 Ca 0.32 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 2rml s PRO 106 Cb 0.22 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.41 2rml s PRO 106 CO -0.24 -2.12 0.98 0.08 0.04 0.00 0.00 177.00 175.73 2rml s VAL 107 N 7.60 3.99 -0.53 -0.36 1.01 -1.26 -2.49 120.40 128.36 2rml s VAL 107 Ca 0.77 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 64.39 2rml s VAL 107 Cb -0.19 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.19 2rml s VAL 107 CO 0.30 0.30 0.57 0.20 0.00 0.00 0.00 175.10 176.47 2rml s ASN 108 N -1.33 6.19 0.00 3.32 -0.87 0.06 -4.98 114.94 117.33 2rml s ASN 108 Ca 0.47 -1.38 0.00 0.00 -1.57 0.00 0.00 52.86 50.38 2rml s ASN 108 Cb -0.24 -2.25 0.03 0.00 -0.02 0.00 0.00 41.25 38.77 2rml s ASN 108 CO 0.30 -0.90 0.53 0.49 -2.57 0.00 0.00 177.10 174.94 2rml n PHE 109 N 5.79 0.00 0.00 2.20 3.01 -1.26 -2.32 117.46 124.88 2rml n PHE 109 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2rml n PHE 109 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rml n ALA 110 N -0.52 0.00 0.30 4.37 0.00 -1.26 -2.42 120.51 120.99 2rml n ALA 110 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2rml n ALA 110 Cb 0.00 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.96 0.00 -0.00 -1.86 -3.42 115.31 109.08 2rml h LEU 111 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 2rml h LEU 111 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 40.66 40.76 2rml h LEU 111 CO 0.00 0.00 -0.47 -0.62 -0.00 0.00 0.00 178.44 177.35 2rml n GLU 112 N -3.07 -5.37 -4.37 1.13 1.02 -0.98 -4.96 120.64 104.03 2rml n GLU 112 Ca -0.01 0.56 -0.27 0.00 -0.02 0.00 0.00 57.16 57.42 2rml n GLU 112 Cb 0.21 -4.80 -0.08 0.00 -0.02 0.00 0.00 31.44 26.74 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 -3.22 1.99 -0.02 2.62 -4.23 -1.26 -0.19 115.64 111.33 2rml s THR 113 Ca 0.37 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2rml s THR 113 Cb -0.16 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 70.89 2rml s THR 113 CO 0.50 0.00 0.01 0.54 -0.54 0.00 0.00 174.62 175.13 2rml s VAL 114 N -2.69 0.07 -0.21 2.29 0.11 -0.31 -0.76 120.40 118.91 2rml s VAL 114 Ca 0.33 0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 59.33 2rml s VAL 114 Cb 0.05 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 2rml s VAL 114 CO 0.18 0.11 0.52 -0.89 -3.33 0.00 0.00 175.10 171.69 2rml s THR 115 N 0.97 5.10 0.01 5.04 2.01 -1.04 -1.10 115.64 126.64 2rml s THR 115 Ca -0.09 0.95 0.08 0.00 0.31 0.00 0.00 61.69 62.93 2rml s THR 115 Cb -0.13 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.52 2rml s THR 115 CO -0.02 0.16 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.14 2rml s VAL 116 N 1.75 1.89 -0.15 3.82 1.01 0.41 -2.65 120.40 126.47 2rml s VAL 116 Ca 0.24 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2rml s VAL 116 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2rml s VAL 116 CO 0.09 0.41 -0.21 -0.70 0.00 0.00 0.00 175.10 174.69 2rml s GLU 117 N -0.89 3.02 0.19 2.72 2.12 0.13 -0.94 118.70 125.05 2rml s GLU 117 Ca 0.09 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.39 2rml s GLU 117 Cb -0.09 -2.49 0.04 0.00 0.26 0.00 0.00 34.13 31.85 2rml s GLU 117 CO 0.01 -0.08 0.55 1.52 -0.54 0.00 0.00 175.26 176.72 2rml s TYR 118 N 0.97 -0.22 -0.36 5.30 1.13 -0.64 -0.89 117.35 122.64 2rml s TYR 118 Ca -0.03 -0.10 -0.14 0.00 -1.41 0.00 0.00 57.07 55.39 2rml s TYR 118 Cb -0.15 0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 41.15 2rml s TYR 118 CO -0.05 -0.91 0.27 1.21 -2.51 0.00 0.00 175.55 173.55 2rml s ASN 119 N -2.84 6.09 0.44 -0.18 3.84 -0.87 -0.92 114.94 120.50 2rml s ASN 119 Ca 0.07 -0.51 0.30 0.00 0.21 0.00 0.00 52.86 52.93 2rml s ASN 119 Cb -0.01 -2.15 1.13 0.00 -0.55 0.00 0.00 41.25 39.66 2rml s ASN 119 CO -0.05 -0.30 1.86 1.55 -2.79 0.00 0.00 177.10 177.38 2rml h PRO 120 N 8.52 0.00 0.00 0.43 0.13 -1.86 -3.32 132.00 135.90 2rml h PRO 120 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2rml h PRO 120 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2rml h PRO 120 CO 0.66 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.06 2rml n LYS 121 N -2.82 0.04 -0.01 0.86 4.76 -1.26 -2.66 118.16 117.06 2rml n LYS 121 Ca 0.02 0.41 0.01 0.00 -2.87 0.00 0.00 58.31 55.88 2rml n LYS 121 Cb 0.32 -1.60 0.02 0.00 -1.84 0.00 0.00 35.03 31.92 2rml n LYS 121 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2rml n GLU 122 N -1.69 0.75 -4.02 1.97 -0.58 -1.25 -5.03 120.64 110.79 2rml n GLU 122 Ca 0.01 -1.02 -0.12 0.00 -0.42 0.00 0.00 57.16 55.61 2rml n GLU 122 Cb 0.10 -1.05 -0.04 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.51 0.25 0.16 0.62 0.00 -1.09 -5.03 121.76 116.16 2rml s ALA 123 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2rml s ALA 123 Cb 0.02 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 2rml s ALA 123 CO 0.03 -0.84 0.04 -1.54 0.00 0.00 0.00 175.76 173.46 2rml s SER 124 N -3.14 0.72 0.22 0.00 1.04 -1.26 -4.91 113.70 106.36 2rml s SER 124 Ca 0.26 -1.22 0.22 0.00 0.48 0.00 0.00 55.95 55.70 2rml s SER 124 Cb -0.01 0.22 0.93 0.00 0.10 0.00 0.00 66.02 67.26 2rml s SER 124 CO 0.15 -0.67 1.68 0.52 0.98 0.00 0.00 173.24 175.90 2rml n VAL 125 N -0.19 0.84 -0.06 5.02 0.31 -1.26 -2.35 118.33 120.64 2rml n VAL 125 Ca -0.05 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.38 2rml n VAL 125 Cb 0.64 -1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 32.38 2rml n VAL 125 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2rml h SER 126 N 0.00 0.36 -0.88 4.52 0.02 -1.99 -0.83 113.55 114.75 2rml h SER 126 Ca 0.00 -0.38 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 2rml h SER 126 Cb 0.36 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2rml h SER 126 CO 0.00 0.66 0.56 0.44 -1.14 0.00 0.00 176.83 177.35 2rml h ASP 127 N 0.06 0.91 -0.21 3.07 3.32 -1.88 -0.22 116.42 121.48 2rml h ASP 127 Ca 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2rml h ASP 127 Cb 0.50 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2rml h ASP 127 CO 0.02 0.61 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.01 2rml h LEU 128 N 1.06 0.41 -0.33 1.55 3.38 -1.49 -1.18 115.31 118.72 2rml h LEU 128 Ca 0.37 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2rml h LEU 128 Cb 0.08 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2rml h LEU 128 CO -0.14 0.70 0.17 0.11 0.09 0.00 0.00 178.44 179.37 2rml h LYS 129 N 0.12 0.35 -0.25 1.13 1.57 -0.85 -0.14 116.57 118.49 2rml h LYS 129 Ca 0.05 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2rml h LYS 129 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2rml h LYS 129 CO 0.02 0.23 0.04 0.93 -0.57 0.00 0.00 179.45 180.10 2rml h GLU 130 N 0.36 0.37 0.02 3.15 5.08 -0.99 -0.58 114.58 121.99 2rml h GLU 130 Ca 0.13 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2rml h GLU 130 Cb 0.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2rml h GLU 130 CO -0.08 0.36 -0.01 0.00 -1.00 0.00 0.00 179.01 178.29 2rml h ALA 131 N 1.69 -0.02 0.00 3.43 0.00 -0.93 -3.35 119.26 120.07 2rml h ALA 131 Ca 0.09 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2rml h ALA 131 Cb 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rml h ALA 131 CO -0.00 -0.19 -0.22 0.28 0.00 0.00 0.00 179.25 179.12 2rml h VAL 132 N -0.66 0.54 -0.66 0.00 2.07 -0.83 -2.77 116.25 113.94 2rml h VAL 132 Ca -0.00 -1.08 0.14 0.00 0.82 0.00 0.00 66.70 66.58 2rml h VAL 132 Cb 0.63 1.74 -0.11 0.00 -1.52 0.00 0.00 31.29 32.03 2rml h VAL 132 CO 0.00 0.21 0.05 -0.78 0.02 0.00 0.00 177.57 177.07 2rml h ASP 133 N 0.00 -0.21 0.43 0.57 3.58 -1.24 -2.13 116.42 117.42 2rml h ASP 133 Ca -0.00 0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2rml h ASP 133 Cb 0.73 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2rml h ASP 133 CO 0.03 -0.10 -0.29 0.50 -2.88 0.00 0.00 179.24 176.50 2rml h LYS 134 N 0.15 0.00 0.00 0.28 1.63 -1.63 -2.07 116.57 114.94 2rml h LYS 134 Ca 0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 2rml h LYS 134 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2rml h LYS 134 CO -0.54 0.29 0.00 -0.07 -3.45 0.00 0.00 179.45 175.68 2rml h LEU 135 N 0.00 0.00 0.00 5.20 -0.00 -1.48 -3.48 115.31 115.55 2rml h LEU 135 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2rml h LEU 135 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2rml h LEU 135 CO 0.04 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.09 2rml n GLY 136 N 1.20 1.72 0.00 0.83 0.00 -0.78 -4.93 105.19 103.24 2rml n GLY 136 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2rml n GLY 136 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rml n TYR 137 N -0.46 0.00 -3.89 1.61 4.01 -1.19 -5.04 117.16 112.20 2rml n TYR 137 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2rml n TYR 137 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N 0.60 0.31 -0.44 -0.72 0.00 -1.26 -4.37 119.74 113.85 2rml s LYS 138 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 55.97 55.56 2rml s LYS 138 Cb 0.00 0.13 0.05 0.00 0.00 0.00 0.00 37.83 38.00 2rml s LYS 138 CO 0.00 -0.06 0.35 -0.51 0.00 0.00 0.00 175.35 175.13 2rml s LEU 139 N -0.88 5.37 0.00 2.77 1.43 -1.26 -4.08 118.68 122.03 2rml s LEU 139 Ca -0.10 -1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 51.80 2rml s LEU 139 Cb -0.06 -2.18 0.19 0.00 0.03 0.00 0.00 46.19 44.17 2rml s LEU 139 CO 0.00 -0.56 1.16 0.29 0.23 0.00 0.00 176.35 177.48 2rml n LYS 140 N 5.20 -0.74 -3.86 1.70 5.02 0.17 -4.94 118.16 120.70 2rml n LYS 140 Ca -0.12 -2.33 -0.10 0.00 -2.02 0.00 0.00 58.31 53.74 2rml n LYS 140 Cb 0.45 -1.03 -0.08 0.00 -0.02 0.00 0.00 35.03 34.35 2rml n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rml s LEU 141 N 0.00 1.43 -0.25 -0.35 1.43 -1.26 -1.47 118.68 118.22 2rml s LEU 141 Ca 0.70 -0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 2rml s LEU 141 Cb -0.03 0.96 -0.03 0.00 0.03 0.00 0.00 46.19 47.13 2rml s LEU 141 CO 0.48 -0.63 0.51 -0.75 0.23 0.00 0.00 176.35 176.19 2rml s LYS 142 N -3.18 4.10 0.00 1.70 2.20 -1.20 -0.35 119.74 123.01 2rml s LYS 142 Ca -0.00 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2rml s LYS 142 Cb 0.02 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2rml s LYS 142 CO -0.07 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2rml n GLY 143 N 4.28 1.89 0.28 5.54 0.00 -1.26 -4.75 105.19 111.16 2rml n GLY 143 Ca -0.04 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.17 2rml n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rml h GLU 144 N 0.00 0.00 0.00 1.61 4.39 -1.97 -3.07 114.58 115.54 2rml h GLU 144 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rml h GLU 144 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2rml h GLU 144 CO 0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 2rml n GLN 145 N -3.00 2.92 0.00 2.33 6.02 -0.83 -4.87 117.38 119.96 2rml n GLN 145 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2rml n GLN 145 Cb 0.25 -0.31 0.00 0.00 1.02 0.00 0.00 30.24 31.20 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 -0.11 0.99 0.00 1.08 2.03 0.53 -4.74 116.55 116.32 2rml n ASP 146 Ca 0.00 -1.44 0.00 0.00 0.52 0.00 0.00 54.79 53.87 2rml n ASP 146 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2rml n ASP 146 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74