#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 4.23 0.00 4.03 1.02 -1.26 -4.73 118.68 121.98 2rml s LEU 2 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2rml s LEU 2 Cb 0.00 -2.77 0.00 0.00 0.02 0.00 0.00 46.19 43.44 2rml s LEU 2 CO 0.00 -0.54 0.00 -0.24 0.02 0.00 0.00 176.35 175.59 2rml n SER 3 N 5.96 0.00 -3.67 2.29 2.88 -1.26 -5.16 113.62 114.66 2rml n SER 3 Ca -0.02 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.38 2rml n SER 3 Cb 0.49 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.02 0.73 0.11 -1.46 -1.05 -1.26 -5.18 118.70 110.57 2rml s GLU 4 Ca 0.00 0.40 0.02 0.00 -0.15 0.00 0.00 54.97 55.24 2rml s GLU 4 Cb 0.00 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2rml s GLU 4 CO 0.00 -0.16 0.19 -0.65 0.95 0.00 0.00 175.26 175.59 2rml s GLN 5 N -0.45 3.23 0.34 -4.83 -0.21 -1.26 -4.51 119.66 111.97 2rml s GLN 5 Ca -0.06 -0.62 0.05 0.00 0.02 0.00 0.00 55.36 54.75 2rml s GLN 5 Cb -0.03 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 2rml s GLN 5 CO 0.04 0.55 0.19 0.15 -2.12 0.00 0.00 175.29 174.10 2rml s LYS 6 N -2.82 1.75 0.11 2.91 -0.14 0.04 -4.93 119.74 116.66 2rml s LYS 6 Ca 0.33 -2.03 -0.21 0.00 -1.36 0.00 0.00 55.97 52.70 2rml s LYS 6 Cb -0.12 -0.11 0.06 0.00 -1.68 0.00 0.00 37.83 35.98 2rml s LYS 6 CO 0.26 -0.53 0.52 -1.83 -0.76 0.00 0.00 175.35 173.02 2rml s GLU 7 N -3.67 1.15 0.01 1.68 4.04 -1.26 -1.14 118.70 119.52 2rml s GLU 7 Ca 0.34 -0.46 0.00 0.00 0.04 0.00 0.00 54.97 54.89 2rml s GLU 7 Cb 0.03 0.52 -0.01 0.00 0.02 0.00 0.00 34.13 34.69 2rml s GLU 7 CO 0.20 -0.46 -0.03 0.42 -1.84 0.00 0.00 175.26 173.55 2rml s ILE 8 N -3.35 0.16 -0.34 1.83 1.01 -0.78 -5.00 121.20 114.74 2rml s ILE 8 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 2rml s ILE 8 Cb -0.00 -0.24 0.05 0.00 0.01 0.00 0.00 42.46 42.28 2rml s ILE 8 CO -0.09 -0.27 0.09 0.00 0.00 0.00 0.00 174.94 174.67 2rml s ALA 9 N -0.87 3.00 0.17 9.38 0.00 -1.26 -0.79 121.76 131.39 2rml s ALA 9 Ca -0.09 -1.82 0.10 0.00 0.00 0.00 0.00 51.96 50.16 2rml s ALA 9 Cb -0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 2rml s ALA 9 CO -0.00 -1.36 -0.19 1.41 0.00 0.00 0.00 175.76 175.62 2rml s MET 10 N 1.35 1.72 0.82 0.00 1.75 0.37 -3.00 119.30 122.31 2rml s MET 10 Ca -0.02 -1.36 -0.09 0.00 -1.25 0.00 0.00 55.69 52.97 2rml s MET 10 Cb -0.20 -2.00 0.15 0.00 2.84 0.00 0.00 34.83 35.62 2rml s MET 10 CO 0.01 0.43 1.14 -1.14 -0.65 0.00 0.00 175.02 174.82 2rml s GLN 11 N -2.54 1.33 0.00 4.11 -0.44 -1.26 -0.38 119.66 120.48 2rml s GLN 11 Ca 0.21 -0.63 0.00 0.00 -2.50 0.00 0.00 55.36 52.44 2rml s GLN 11 Cb -0.09 -2.08 0.00 0.00 -1.64 0.00 0.00 33.01 29.20 2rml s GLN 11 CO 0.11 -1.83 0.00 1.55 0.50 0.00 0.00 175.29 175.62 2rml n VAL 12 N -3.26 0.00 -3.99 1.34 3.14 -1.26 -4.71 118.33 109.59 2rml n VAL 12 Ca 0.14 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.28 2rml n VAL 12 Cb 0.60 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.35 2rml n VAL 12 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2rml s SER 13 N 0.00 6.16 0.00 6.55 1.04 0.51 -4.56 113.70 123.40 2rml s SER 13 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2rml s SER 13 Cb 0.00 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.34 2rml s SER 13 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2rml n GLY 14 N -0.99 0.84 0.64 7.32 0.00 -1.26 -1.50 105.19 110.23 2rml n GLY 14 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2rml n GLY 14 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2rml n MET 15 N -2.33 0.60 0.00 1.61 2.81 -1.26 -4.57 117.12 113.98 2rml n MET 15 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 2rml n MET 15 Cb 0.00 -1.27 0.35 0.00 -0.71 0.00 0.00 33.22 31.58 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 0.34 0.70 0.35 2.03 -2.24 -1.26 -1.61 114.28 112.58 2rml n THR 16 Ca 0.00 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 2rml n THR 16 Cb 0.19 -0.94 0.27 0.00 -2.10 0.00 0.00 70.33 67.75 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 1.20 0.00 0.21 0.00 0.00 -0.64 -4.46 120.51 116.83 2rml n ALA 18 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.72 2rml n ALA 18 Cb 0.52 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.40 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 1.22 -0.29 0.00 0.00 -1.26 -0.82 120.51 119.36 2rml n ALA 19 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2rml n ALA 19 Cb 0.00 -1.27 0.25 0.00 0.00 0.00 0.00 19.45 18.44 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 1.63 -0.03 -0.88 0.00 0.00 -1.25 -0.85 119.26 117.87 2rml h ALA 21 Ca 0.50 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.56 2rml h ALA 21 Cb 0.84 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.73 2rml h ALA 21 CO -0.45 -0.56 0.51 0.00 0.00 0.00 0.00 179.25 178.74 2rml h ALA 22 N 0.93 1.30 0.00 0.00 0.00 -1.57 -1.62 119.26 118.31 2rml h ALA 22 Ca 0.06 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2rml h ALA 22 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2rml h ALA 22 CO -0.15 0.07 -0.31 0.00 0.00 0.00 0.00 179.25 178.86 2rml h ARG 23 N 0.79 0.00 0.10 0.00 2.47 -0.28 0.56 114.38 118.03 2rml h ARG 23 Ca 0.45 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.16 2rml h ARG 23 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2rml h ARG 23 CO -0.29 0.31 -0.05 0.82 0.56 0.00 0.00 179.97 181.33 2rml h ILE 24 N 0.00 1.14 -0.21 2.04 1.08 -0.28 -2.51 117.51 118.76 2rml h ILE 24 Ca -0.00 -1.10 -0.02 0.00 -0.39 0.00 0.00 64.86 63.35 2rml h ILE 24 Cb 0.56 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 2rml h ILE 24 CO 0.04 0.26 0.06 -0.33 -0.69 0.00 0.00 178.15 177.49 2rml h GLU 25 N -0.66 0.33 0.00 2.37 5.08 -1.27 -1.73 114.58 118.70 2rml h GLU 25 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2rml h GLU 25 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2rml h GLU 25 CO 0.02 0.43 0.00 0.36 -1.00 0.00 0.00 179.01 178.82 2rml n LYS 26 N -4.78 0.11 -0.05 2.33 -0.00 0.18 -1.61 118.16 114.34 2rml n LYS 26 Ca -0.04 0.41 -0.01 0.00 -0.00 0.00 0.00 58.31 58.68 2rml n LYS 26 Cb 0.16 -1.75 -0.00 0.00 -0.00 0.00 0.00 35.03 33.44 2rml n LYS 26 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2rml h GLY 27 N 1.79 0.00 1.11 2.58 0.00 -0.96 -3.42 103.07 104.16 2rml h GLY 27 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2rml h GLY 27 CO 0.00 0.00 -0.48 1.41 0.00 0.00 0.00 176.54 177.47 2rml h LEU 28 N -1.00 0.95 -0.56 3.11 3.38 -1.28 -3.30 115.31 116.61 2rml h LEU 28 Ca -0.00 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2rml h LEU 28 Cb 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2rml h LEU 28 CO -0.00 1.28 0.00 1.17 0.09 0.00 0.00 178.44 180.98 2rml n LYS 29 N -4.06 0.49 -0.00 1.13 4.81 -0.63 -1.58 118.16 118.31 2rml n LYS 29 Ca -0.04 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.43 2rml n LYS 29 Cb 0.59 -1.14 -0.04 0.00 0.02 0.00 0.00 35.03 34.47 2rml n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2rml n ARG 30 N -0.07 4.10 -2.33 1.64 1.74 -1.24 -5.00 116.66 115.49 2rml n ARG 30 Ca 0.00 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 2rml n ARG 30 Cb 0.07 -0.85 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 2rml n ARG 30 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2rml s MET 31 N -1.73 4.50 0.40 5.56 -1.94 -0.62 -4.93 119.30 120.54 2rml s MET 31 Ca 0.01 1.95 0.08 0.00 -1.71 0.00 0.00 55.69 56.02 2rml s MET 31 Cb 0.04 -3.18 0.81 0.00 2.01 0.00 0.00 34.83 34.52 2rml s MET 31 CO 0.24 -0.03 1.99 -1.00 -0.01 0.00 0.00 175.02 176.21 2rml h PRO 32 N 4.40 0.43 -0.01 2.03 0.13 -1.91 -0.39 132.00 136.68 2rml h PRO 32 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2rml h PRO 32 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2rml h PRO 32 CO 0.70 0.38 -0.19 0.41 -0.23 0.00 0.00 178.00 179.08 2rml n GLY 33 N -1.21 -0.30 3.70 1.56 0.00 -1.26 -4.87 105.19 102.81 2rml n GLY 33 Ca 0.01 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2rml n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 34 N -2.33 5.06 -0.15 1.61 1.01 -0.16 -0.47 120.40 124.97 2rml s VAL 34 Ca 0.28 1.30 0.18 0.00 0.00 0.00 0.00 61.98 63.74 2rml s VAL 34 Cb 0.20 -3.98 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 2rml s VAL 34 CO 0.46 0.22 0.17 1.07 0.00 0.00 0.00 175.10 177.02 2rml n THR 35 N 4.03 0.99 -3.56 3.92 5.66 -0.12 -4.70 114.28 120.50 2rml n THR 35 Ca -0.02 -0.74 -0.09 0.00 -3.05 0.00 0.00 64.05 60.15 2rml n THR 35 Cb 0.51 -0.35 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 2rml n THR 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2rml s ASP 36 N -5.14 -0.42 -0.22 1.09 -1.08 -0.60 -5.02 116.67 105.28 2rml s ASP 36 Ca -0.09 -0.16 -0.11 0.00 -0.52 0.00 0.00 52.55 51.68 2rml s ASP 36 Cb 0.08 0.56 0.08 0.00 -1.46 0.00 0.00 42.92 42.17 2rml s ASP 36 CO 0.82 -0.94 0.52 0.00 0.52 0.00 0.00 175.17 176.08 2rml s ALA 37 N -3.57 -1.42 -0.18 3.66 0.00 -1.26 -0.93 121.76 118.06 2rml s ALA 37 Ca 0.05 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 2rml s ALA 37 Cb -0.02 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.89 2rml s ALA 37 CO -0.07 -0.49 -0.03 -0.80 0.00 0.00 0.00 175.76 174.37 2rml s ASN 38 N 1.93 2.93 -0.34 0.00 0.01 -0.22 -4.84 114.94 114.41 2rml s ASN 38 Ca -0.07 -0.75 -0.12 0.00 -0.71 0.00 0.00 52.86 51.20 2rml s ASN 38 Cb -0.09 -0.85 -0.01 0.00 0.41 0.00 0.00 41.25 40.71 2rml s ASN 38 CO -0.15 -0.22 0.23 0.54 -1.51 0.00 0.00 177.10 175.99 2rml s VAL 39 N 1.67 5.19 -0.97 1.60 0.11 -1.26 -1.04 120.40 125.71 2rml s VAL 39 Ca -0.00 -0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 58.55 2rml s VAL 39 Cb -0.16 -3.68 0.03 0.00 -1.53 0.00 0.00 36.38 31.04 2rml s VAL 39 CO -0.07 -0.01 1.55 0.21 -3.33 0.00 0.00 175.10 173.45 2rml s ASN 40 N 1.71 6.17 0.50 3.54 3.84 0.22 -4.83 114.94 126.08 2rml s ASN 40 Ca 0.06 -1.18 0.28 0.00 0.21 0.00 0.00 52.86 52.23 2rml s ASN 40 Cb -0.17 -2.57 1.17 0.00 -0.55 0.00 0.00 41.25 39.13 2rml s ASN 40 CO 0.10 -1.81 1.92 0.25 -2.79 0.00 0.00 177.10 174.77 2rml h LEU 41 N 13.95 0.00 -1.25 3.21 5.85 -1.96 0.15 115.31 135.27 2rml h LEU 41 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2rml h LEU 41 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2rml h LEU 41 CO 1.37 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 179.59 2rml n ALA 42 N -2.17 2.27 0.00 1.25 0.00 -1.26 -4.05 120.51 116.55 2rml n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rml n ALA 42 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.21 0.00 -0.03 0.00 -1.04 -1.12 -5.09 114.28 107.21 2rml n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2rml n THR 43 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 -2.15 0.00 -3.70 -2.82 2.13 0.50 -5.13 120.64 109.48 2rml n GLU 44 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.71 2rml n GLU 44 Cb 0.00 -0.03 -0.10 0.00 0.27 0.00 0.00 31.44 31.58 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 -2.02 -0.01 -0.22 6.31 2.01 -1.09 -4.65 115.64 115.97 2rml s THR 45 Ca 0.00 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.97 2rml s THR 45 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 2rml s THR 45 CO 0.00 0.01 0.04 -0.55 -0.69 0.00 0.00 174.62 173.43 2rml s SER 46 N 0.78 5.06 -0.35 3.53 0.15 0.49 -0.61 113.70 122.75 2rml s SER 46 Ca -0.04 -0.16 -0.08 0.00 0.70 0.00 0.00 55.95 56.37 2rml s SER 46 Cb -0.05 -1.88 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 2rml s SER 46 CO -0.06 0.04 0.13 0.20 1.20 0.00 0.00 173.24 174.75 2rml s ASN 47 N 1.15 5.42 -0.01 5.45 0.01 -0.20 -0.48 114.94 126.29 2rml s ASN 47 Ca 0.04 -1.06 0.06 0.00 -0.71 0.00 0.00 52.86 51.19 2rml s ASN 47 Cb -0.14 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 2rml s ASN 47 CO 0.02 -0.33 -0.19 0.68 -1.51 0.00 0.00 177.10 175.77 2rml s VAL 48 N 1.46 2.68 -0.03 1.60 -7.23 0.03 -1.06 120.40 117.85 2rml s VAL 48 Ca -0.00 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2rml s VAL 48 Cb -0.19 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.72 2rml s VAL 48 CO 0.04 0.49 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.68 2rml s ILE 49 N -0.78 0.22 0.11 -0.62 1.09 -0.10 -1.86 121.20 119.26 2rml s ILE 49 Ca 0.12 0.05 -0.25 0.00 -1.10 0.00 0.00 60.65 59.47 2rml s ILE 49 Cb -0.10 -0.31 0.07 0.00 -1.06 0.00 0.00 42.46 41.06 2rml s ILE 49 CO 0.02 0.15 0.78 -0.72 -0.10 0.00 0.00 174.94 175.07 2rml s TYR 50 N 0.98 -0.35 -0.01 3.97 1.13 -0.29 -0.95 117.35 121.83 2rml s TYR 50 Ca -0.10 0.12 -0.28 0.00 -1.41 0.00 0.00 57.07 55.39 2rml s TYR 50 Cb -0.14 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.28 2rml s TYR 50 CO -0.01 -0.79 0.91 0.34 -2.51 0.00 0.00 175.55 173.50 2rml s ASP 51 N -2.71 7.29 0.00 -0.18 2.15 0.38 -0.78 116.67 122.82 2rml s ASP 51 Ca 0.06 1.56 0.29 0.00 0.43 0.00 0.00 52.55 54.89 2rml s ASP 51 Cb -0.02 -2.53 1.69 0.00 -0.30 0.00 0.00 42.92 41.76 2rml s ASP 51 CO -0.06 -0.22 2.09 -0.81 -0.17 0.00 0.00 175.17 176.00 2rml n PRO 52 N 3.82 1.05 -0.11 4.34 -0.04 -1.26 -2.48 135.00 140.31 2rml n PRO 52 Ca 0.04 -0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.24 2rml n PRO 52 Cb 0.51 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.87 0.97 0.77 0.55 0.00 -1.26 -4.61 120.51 116.06 2rml n ALA 53 Ca 0.22 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 52.84 2rml n ALA 53 Cb 0.12 0.01 0.15 0.00 0.00 0.00 0.00 19.45 19.73 2rml n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rml n GLU 54 N -4.38 1.98 -3.41 0.00 -0.58 -1.25 -4.50 120.64 108.49 2rml n GLU 54 Ca -0.33 -1.24 -0.19 0.00 -0.42 0.00 0.00 57.16 54.98 2rml n GLU 54 Cb 0.67 -1.38 -0.10 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.60 -0.34 0.21 2.62 2.01 -1.04 -4.23 115.64 113.27 2rml s THR 55 Ca 0.23 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 2rml s THR 55 Cb 0.13 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 2rml s THR 55 CO 0.13 -0.53 0.96 -0.83 -0.69 0.00 0.00 174.62 173.66 2rml s GLY 56 N 2.13 3.08 0.34 4.40 0.00 -1.26 -4.56 107.32 111.45 2rml s GLY 56 Ca 0.11 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.54 2rml s GLY 56 CO -0.27 1.29 1.84 0.00 0.00 0.00 0.00 173.10 175.96 2rml h THR 57 N 3.40 0.80 0.00 0.90 1.03 -1.94 -1.63 112.91 115.47 2rml h THR 57 Ca -0.44 -0.25 -0.00 0.00 -0.01 0.00 0.00 66.41 65.70 2rml h THR 57 Cb 1.20 0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 68.30 2rml h THR 57 CO 0.69 0.13 -0.00 0.00 -0.01 0.00 0.00 175.52 176.33 2rml h ALA 58 N 1.60 1.37 0.00 0.00 0.00 -1.94 -1.61 119.26 118.68 2rml h ALA 58 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2rml h ALA 58 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2rml h ALA 58 CO -0.25 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.01 2rml h ALA 59 N 2.00 1.00 0.14 0.00 0.00 -1.69 -2.80 119.26 117.91 2rml h ALA 59 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2rml h ALA 59 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2rml h ALA 59 CO 0.00 0.00 -0.07 0.82 0.00 0.00 0.00 179.25 180.01 2rml h ILE 60 N 0.00 0.83 -0.28 0.00 2.04 -1.49 -2.27 117.51 116.34 2rml h ILE 60 Ca 0.00 -1.23 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 2rml h ILE 60 Cb 0.16 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2rml h ILE 60 CO 0.00 0.23 -0.08 0.06 0.00 0.00 0.00 178.15 178.36 2rml h GLN 61 N -0.90 0.46 -0.50 2.37 -0.00 -1.73 -1.12 115.11 113.68 2rml h GLN 61 Ca -0.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 2rml h GLN 61 Cb 0.52 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.91 2rml h GLN 61 CO 0.03 0.55 0.27 1.49 -0.00 0.00 0.00 178.83 181.17 2rml h GLU 62 N 0.43 0.68 0.00 0.06 4.22 -1.56 -0.06 114.58 118.36 2rml h GLU 62 Ca 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2rml h GLU 62 Cb 0.42 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2rml h GLU 62 CO 0.02 0.51 -0.55 -0.22 -2.18 0.00 0.00 179.01 176.59 2rml h LYS 63 N 0.69 0.00 0.03 1.92 1.63 -1.00 -3.24 116.57 116.60 2rml h LYS 63 Ca 0.18 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 2rml h LYS 63 Cb 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2rml h LYS 63 CO -0.03 0.00 -0.01 0.82 -3.45 0.00 0.00 179.45 176.78 2rml h ILE 64 N 0.00 0.67 0.00 2.00 2.04 -0.75 -3.37 117.51 118.11 2rml h ILE 64 Ca 0.00 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.41 2rml h ILE 64 Cb 0.99 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2rml h ILE 64 CO 0.00 0.22 0.00 -0.33 0.00 0.00 0.00 178.15 178.04 2rml h GLU 65 N -0.99 0.00 -1.00 2.37 4.39 -1.19 -0.83 114.58 117.33 2rml h GLU 65 Ca -0.00 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.99 2rml h GLU 65 Cb 0.39 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 2rml h GLU 65 CO 0.01 0.00 0.76 -0.22 -1.16 0.00 0.00 179.01 178.40 2rml h LYS 66 N 0.00 0.00 0.00 2.33 3.11 -1.71 -1.99 116.57 118.31 2rml h LYS 66 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2rml h LYS 66 Cb 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2rml h LYS 66 CO 0.00 0.00 -0.52 1.28 -2.81 0.00 0.00 179.45 177.40 2rml n LEU 67 N -4.10 0.64 0.00 5.20 7.99 -0.32 -4.97 117.00 121.44 2rml n LEU 67 Ca 0.21 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.44 2rml n LEU 67 Cb 1.10 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 44.19 2rml n LEU 67 CO 0.38 -0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 2rml n GLY 68 N 1.37 0.66 3.88 -0.72 0.00 -0.75 -5.07 105.19 104.56 2rml n GLY 68 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.28 3.48 -0.10 1.61 2.02 -1.26 -5.06 117.35 115.75 2rml s TYR 69 Ca 0.00 0.72 0.03 0.00 -0.37 0.00 0.00 57.07 57.45 2rml s TYR 69 Cb 0.00 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 2rml s TYR 69 CO 0.00 0.39 -0.20 -1.01 -1.57 0.00 0.00 175.55 173.17 2rml s HIS 70 N -1.66 2.22 0.00 2.71 3.76 -0.56 -4.20 115.29 117.56 2rml s HIS 70 Ca 0.42 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 2rml s HIS 70 Cb -0.12 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.04 2rml s HIS 70 CO 0.22 -0.42 1.01 0.28 -0.85 0.00 0.00 174.74 174.99 2rml n VAL 71 N 3.75 1.01 -4.32 -0.90 0.31 -1.26 -0.36 118.33 116.57 2rml n VAL 71 Ca -0.20 -0.20 -0.31 0.00 -0.01 0.00 0.00 64.34 63.62 2rml n VAL 71 Cb 0.52 -1.13 -0.10 0.00 -0.91 0.00 0.00 33.84 32.22 2rml n VAL 71 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2rml n VAL 72 N 1.33 -1.00 -2.40 2.52 3.14 -1.26 -4.32 118.33 116.33 2rml n VAL 72 Ca 0.00 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.45 2rml n VAL 72 Cb 0.31 -1.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.06 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2rml s THR 73 N -4.38 4.02 0.20 1.55 -4.23 -1.26 -4.28 115.64 107.26 2rml s THR 73 Ca 0.00 1.09 0.08 0.00 -1.18 0.00 0.00 61.69 61.69 2rml s THR 73 Cb -0.00 -4.22 -0.05 0.00 1.34 0.00 0.00 72.50 69.58 2rml s THR 73 CO 1.00 -0.66 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.56 2rml s GLU 74 N 4.58 1.34 0.03 3.99 2.12 -0.59 -5.00 118.70 125.17 2rml s GLU 74 Ca 0.58 -1.56 0.02 0.00 0.36 0.00 0.00 54.97 54.37 2rml s GLU 74 Cb -0.14 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 2rml s GLU 74 CO 0.29 0.21 0.04 -1.59 -0.54 0.00 0.00 175.26 173.67 2rml s LYS 75 N -3.43 2.85 0.19 4.30 -2.85 -1.26 -1.58 119.74 117.95 2rml s LYS 75 Ca 0.21 -0.63 0.10 0.00 -1.00 0.00 0.00 55.97 54.65 2rml s LYS 75 Cb -0.02 -2.72 -0.04 0.00 -2.06 0.00 0.00 37.83 32.99 2rml s LYS 75 CO 0.07 0.60 -0.18 0.00 0.10 0.00 0.00 175.35 175.94 2rml s ALA 76 N -1.23 2.70 -0.02 0.59 0.00 -0.48 -4.98 121.76 118.33 2rml s ALA 76 Ca 0.24 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.66 2rml s ALA 76 Cb -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2rml s ALA 76 CO 0.16 0.45 -0.08 -1.21 0.00 0.00 0.00 175.76 175.08 2rml s GLU 77 N -2.71 0.82 0.11 0.00 2.02 -1.26 -0.42 118.70 117.25 2rml s GLU 77 Ca 0.22 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.99 2rml s GLU 77 Cb -0.08 -0.78 -0.04 0.00 0.10 0.00 0.00 34.13 33.33 2rml s GLU 77 CO 0.12 0.10 -0.11 -0.06 0.02 0.00 0.00 175.26 175.33 2rml s PHE 78 N 0.18 1.12 -0.17 1.61 0.08 -0.52 -3.57 117.98 116.71 2rml s PHE 78 Ca -0.03 -0.66 -0.12 0.00 0.12 0.00 0.00 56.93 56.25 2rml s PHE 78 Cb -0.08 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.72 2rml s PHE 78 CO 0.00 0.02 0.22 0.34 -0.10 0.00 0.00 175.22 175.70 2rml s ASP 79 N -2.53 6.34 -1.03 1.36 -1.08 -0.38 -0.97 116.67 118.38 2rml s ASP 79 Ca 0.07 0.39 -0.04 0.00 -0.52 0.00 0.00 52.55 52.45 2rml s ASP 79 Cb -0.02 -2.14 0.29 0.00 -1.46 0.00 0.00 42.92 39.58 2rml s ASP 79 CO 0.00 0.15 1.23 -0.38 0.52 0.00 0.00 175.17 176.69 2rml n ILE 80 N 3.48 4.59 -1.35 4.11 2.08 -0.13 -1.68 119.36 130.47 2rml n ILE 80 Ca -0.14 -5.62 -0.40 0.00 0.56 0.00 0.00 62.75 57.15 2rml n ILE 80 Cb 0.52 -2.27 -0.03 0.00 -0.75 0.00 0.00 39.64 37.12 2rml n ILE 80 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2rml n GLU 81 N 1.79 2.38 0.00 0.38 2.13 -1.25 -2.98 120.64 123.09 2rml n GLU 81 Ca 0.25 -2.14 0.00 0.00 0.66 0.00 0.00 57.16 55.93 2rml n GLU 81 Cb 0.36 -2.99 0.00 0.00 0.27 0.00 0.00 31.44 29.08 2rml n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rml n GLY 82 N 4.15 0.36 3.02 8.31 0.00 -1.26 -4.32 105.19 115.44 2rml n GLY 82 Ca 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.39 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 0.59 0.00 1.61 0.23 -1.16 -4.92 119.30 115.65 2rml s MET 83 Ca 0.00 -0.41 0.22 0.00 -1.03 0.00 0.00 55.69 54.46 2rml s MET 83 Cb 0.00 -0.53 0.36 0.00 -1.53 0.00 0.00 34.83 33.13 2rml s MET 83 CO 0.00 0.14 1.14 0.25 -2.03 0.00 0.00 175.02 174.51 2rml n THR 84 N 2.48 0.00 -3.58 3.16 -2.24 -1.26 -4.89 114.28 107.96 2rml n THR 84 Ca -0.16 -0.84 -0.08 0.00 -2.27 0.00 0.00 64.05 60.70 2rml n THR 84 Cb 0.57 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 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 2.35 1.12 -0.45 0.00 0.00 -1.99 -0.03 119.26 120.25 2rml h ALA 86 Ca -0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2rml h ALA 86 Cb 1.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2rml h ALA 86 CO 0.29 0.11 0.26 0.00 0.00 0.00 0.00 179.25 179.91 2rml h ALA 87 N 1.43 1.61 -0.06 0.00 0.00 -1.97 -0.15 119.26 120.12 2rml h ALA 87 Ca 0.37 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2rml h ALA 87 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2rml h ALA 87 CO -0.23 0.34 -0.65 0.00 0.00 0.00 0.00 179.25 178.71 2rml h ALA 89 N 1.16 -0.36 -0.75 0.00 0.00 -0.86 -3.25 119.26 115.21 2rml h ALA 89 Ca -0.01 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 89 Cb 1.17 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2rml h ALA 89 CO 0.10 -0.61 0.49 -0.91 0.00 0.00 0.00 179.25 178.32 2rml h ASN 90 N -0.53 0.49 0.19 0.00 -0.26 -0.86 0.45 115.58 115.06 2rml h ASN 90 Ca -0.04 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 2rml h ASN 90 Cb 0.39 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 2rml h ASN 90 CO 0.06 0.28 -0.10 0.03 -1.06 0.00 0.00 177.43 176.64 2rml h ARG 91 N 0.54 0.00 0.00 0.81 3.08 -1.25 -2.11 114.38 115.45 2rml h ARG 91 Ca 0.36 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.11 2rml h ARG 91 Cb 0.65 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 2rml h ARG 91 CO -0.13 0.10 -2.03 0.44 -1.07 0.00 0.00 179.97 177.28 2rml n ILE 92 N -3.97 1.37 -0.11 2.04 -5.35 -0.55 -4.52 119.36 108.26 2rml n ILE 92 Ca -0.02 -0.80 -0.05 0.00 -0.27 0.00 0.00 62.75 61.60 2rml n ILE 92 Cb 0.19 -0.66 0.01 0.00 -1.74 0.00 0.00 39.64 37.44 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 0.00 0.01 0.00 6.28 4.81 -0.48 0.33 114.58 125.53 2rml h GLU 93 Ca -0.39 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2rml h GLU 93 Cb 2.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.41 2rml h GLU 93 CO 0.05 0.01 0.03 0.87 -0.73 0.00 0.00 179.01 179.23 2rml h LYS 94 N 0.01 0.00 0.00 1.92 1.57 -1.64 0.11 116.57 118.54 2rml h LYS 94 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2rml h LYS 94 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2rml h LYS 94 CO -0.38 0.00 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.28 2rml h ARG 95 N 0.00 0.00 -0.49 3.15 9.65 -1.32 -3.42 114.38 121.96 2rml h ARG 95 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2rml h ARG 95 Cb 0.06 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2rml h ARG 95 CO 0.00 0.37 0.13 -0.07 2.80 0.00 0.00 179.97 183.20 2rml h LEU 96 N -1.00 0.68 -1.20 3.80 -0.00 0.17 -3.34 115.31 114.42 2rml h LEU 96 Ca -0.02 -0.11 0.40 0.00 -0.00 0.00 0.00 57.88 58.15 2rml h LEU 96 Cb 0.44 -0.18 -0.15 0.00 -0.00 0.00 0.00 40.66 40.78 2rml h LEU 96 CO -0.01 0.66 0.70 0.78 -0.00 0.00 0.00 178.44 180.56 2rml h ASN 97 N 0.72 0.34 0.00 -0.43 -0.26 -1.09 -3.28 115.58 111.57 2rml h ASN 97 Ca 0.16 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 2rml h ASN 97 Cb 0.24 0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2rml h ASN 97 CO -0.01 -0.23 -0.04 2.29 -1.06 0.00 0.00 177.43 178.38 2rml n LYS 98 N -4.93 0.00 0.00 0.81 2.85 -1.26 -3.50 118.16 112.13 2rml n LYS 98 Ca 0.36 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 2rml n LYS 98 Cb 1.27 -0.04 0.00 0.00 -0.65 0.00 0.00 35.03 35.61 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2rml n ILE 99 N 0.00 0.00 -3.59 0.58 5.41 -1.24 -4.26 119.36 116.26 2rml n ILE 99 Ca 0.00 0.47 -0.13 0.00 1.00 0.00 0.00 62.75 64.09 2rml n ILE 99 Cb 0.52 -0.67 -0.12 0.00 -0.71 0.00 0.00 39.64 38.65 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 -1.62 0.20 0.00 0.38 0.41 -1.26 -4.99 118.70 111.83 2rml s GLU 100 Ca 0.00 0.65 0.00 0.00 -0.41 0.00 0.00 54.97 55.21 2rml s GLU 100 Cb 0.00 -0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.08 2rml s GLU 100 CO 0.00 -0.39 0.00 0.41 -0.49 0.00 0.00 175.26 174.79 2rml n GLY 101 N 5.35 2.64 3.63 -1.39 0.00 -1.16 -4.90 105.19 109.35 2rml n GLY 101 Ca -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 2rml n GLY 101 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rml n VAL 102 N -0.50 1.40 -0.07 1.61 0.24 -1.26 -4.41 118.33 115.34 2rml n VAL 102 Ca 0.00 -0.35 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 2rml n VAL 102 Cb 0.00 -1.18 -0.13 0.00 -1.47 0.00 0.00 33.84 31.07 2rml n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rml n ALA 103 N 1.07 1.69 -3.55 2.33 0.00 0.41 -4.51 120.51 117.96 2rml n ALA 103 Ca 0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 53.44 52.44 2rml n ALA 103 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2rml n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2rml s ASN 104 N -4.89 -0.47 -0.48 0.00 3.84 -0.58 -4.59 114.94 107.76 2rml s ASN 104 Ca -0.08 -0.19 0.05 0.00 0.21 0.00 0.00 52.86 52.85 2rml s ASN 104 Cb 0.05 0.64 0.21 0.00 -0.55 0.00 0.00 41.25 41.60 2rml s ASN 104 CO 0.66 -1.08 0.83 0.00 -2.79 0.00 0.00 177.10 174.72 2rml n ALA 105 N -0.40 -2.14 -1.95 1.71 0.00 -1.26 -0.78 120.51 115.69 2rml n ALA 105 Ca -0.13 -0.91 -0.33 0.00 0.00 0.00 0.00 53.44 52.06 2rml n ALA 105 Cb 0.63 -1.79 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 0.82 2.47 0.03 0.00 0.04 -1.05 -4.63 135.00 132.68 2rml s PRO 106 Ca 0.29 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2rml s PRO 106 Cb 0.07 -4.62 -0.06 0.00 0.04 0.00 0.00 34.50 29.92 2rml s PRO 106 CO -0.10 -3.09 1.46 0.08 0.04 0.00 0.00 177.00 175.39 2rml s VAL 107 N 10.15 3.50 -0.45 -0.36 1.01 -1.26 -2.47 120.40 130.52 2rml s VAL 107 Ca 0.74 0.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 2rml s VAL 107 Cb -0.12 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.71 2rml s VAL 107 CO 0.15 0.01 0.41 0.21 0.00 0.00 0.00 175.10 175.88 2rml s ASN 108 N 1.91 6.16 0.00 3.32 2.47 0.40 -4.91 114.94 124.28 2rml s ASN 108 Ca 0.66 -1.02 0.27 0.00 0.42 0.00 0.00 52.86 53.19 2rml s ASN 108 Cb -0.34 -2.20 1.44 0.00 -1.45 0.00 0.00 41.25 38.69 2rml s ASN 108 CO 0.28 -0.62 1.93 2.22 -3.72 0.00 0.00 177.10 177.19 2rml n PHE 109 N 5.42 0.00 0.00 0.43 1.16 -1.26 -2.39 117.46 120.82 2rml n PHE 109 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.48 2rml n PHE 109 Cb 0.46 -0.19 0.00 0.00 -1.61 0.00 0.00 39.48 38.13 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2rml n ALA 110 N -1.19 1.02 1.40 1.98 0.00 -1.26 -3.80 120.51 118.66 2rml n ALA 110 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2rml n ALA 110 Cb 0.17 0.02 0.53 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.78 0.85 -2.84 0.00 7.99 -1.07 -4.95 117.00 116.19 2rml n LEU 111 Ca 0.00 -0.19 -0.22 0.00 -0.01 0.00 0.00 56.01 55.58 2rml n LEU 111 Cb 0.04 -0.11 0.02 0.00 -0.11 0.00 0.00 43.42 43.26 2rml n LEU 111 CO 0.00 0.15 -0.08 -0.62 -1.51 0.00 0.00 177.39 175.34 2rml n GLU 112 N -0.61 -4.03 -4.24 3.23 1.02 -1.00 -4.94 120.64 110.06 2rml n GLU 112 Ca 0.15 0.95 -0.15 0.00 -0.02 0.00 0.00 57.16 58.09 2rml n GLU 112 Cb 0.31 -5.76 -0.09 0.00 -0.02 0.00 0.00 31.44 25.87 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 -3.15 0.03 0.00 2.62 -4.23 -1.25 -0.95 115.64 108.71 2rml s THR 113 Ca 0.22 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 2rml s THR 113 Cb -0.10 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2rml s THR 113 CO 0.27 0.00 0.02 0.54 -0.54 0.00 0.00 174.62 174.91 2rml s VAL 114 N -3.90 0.05 -0.12 2.29 0.11 -0.15 -0.46 120.40 118.23 2rml s VAL 114 Ca 0.39 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 2rml s VAL 114 Cb 0.05 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 2rml s VAL 114 CO 0.17 -0.23 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.77 2rml s THR 115 N -0.68 3.83 -0.04 5.04 2.01 -1.03 -1.43 115.64 123.33 2rml s THR 115 Ca -0.08 -0.40 0.07 0.00 0.31 0.00 0.00 61.69 61.59 2rml s THR 115 Cb -0.05 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 2rml s THR 115 CO -0.00 0.54 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.53 2rml s VAL 116 N -0.19 2.02 -0.22 3.82 1.01 0.44 -2.54 120.40 124.74 2rml s VAL 116 Ca 0.03 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 2rml s VAL 116 Cb -0.13 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2rml s VAL 116 CO 0.03 0.57 0.10 -0.70 0.00 0.00 0.00 175.10 175.10 2rml s GLU 117 N -0.37 3.92 0.34 2.72 2.12 0.03 -1.38 118.70 126.09 2rml s GLU 117 Ca 0.03 -0.35 -0.17 0.00 0.36 0.00 0.00 54.97 54.83 2rml s GLU 117 Cb -0.12 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.93 2rml s GLU 117 CO 0.01 0.06 0.74 1.52 -0.54 0.00 0.00 175.26 177.06 2rml s TYR 118 N 0.99 0.03 -0.18 5.30 1.13 -0.62 -0.44 117.35 123.56 2rml s TYR 118 Ca 0.05 -0.59 -0.11 0.00 -1.41 0.00 0.00 57.07 55.01 2rml s TYR 118 Cb -0.14 0.74 -0.05 0.00 -1.10 0.00 0.00 41.96 41.41 2rml s TYR 118 CO 0.03 -1.40 0.17 0.54 -2.51 0.00 0.00 175.55 172.38 2rml s ASN 119 N -3.01 6.28 -0.27 -0.18 2.20 -1.26 -1.55 114.94 117.15 2rml s ASN 119 Ca 0.14 0.32 -0.07 0.00 -0.94 0.00 0.00 52.86 52.32 2rml s ASN 119 Cb -0.05 -2.11 -0.23 0.00 -2.00 0.00 0.00 41.25 36.85 2rml s ASN 119 CO 0.10 0.18 3.51 -0.81 -2.94 0.00 0.00 177.10 177.14 2rml n PRO 120 N 3.39 2.28 0.09 3.55 -0.04 -1.26 -4.23 135.00 138.78 2rml n PRO 120 Ca -0.15 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 2rml n PRO 120 Cb 0.52 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2rml n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rml n LYS 121 N 2.64 0.00 0.00 0.54 4.76 -1.26 -4.99 118.16 119.85 2rml n LYS 121 Ca 0.49 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 56.07 2rml n LYS 121 Cb 0.80 -0.15 0.60 0.00 -1.84 0.00 0.00 35.03 34.44 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 -3.29 0.70 -3.90 1.97 -0.58 -1.26 -4.91 120.64 109.38 2rml n GLU 122 Ca 0.00 -0.25 -0.09 0.00 -0.42 0.00 0.00 57.16 56.40 2rml n GLU 122 Cb 0.00 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.33 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 -2.47 -0.48 0.23 0.62 0.00 -1.26 -5.09 121.76 113.31 2rml s ALA 123 Ca 0.29 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2rml s ALA 123 Cb 0.20 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 24.21 2rml s ALA 123 CO 0.47 -0.81 0.05 -1.54 0.00 0.00 0.00 175.76 173.93 2rml s SER 124 N -2.96 1.40 0.60 0.00 1.04 -1.26 -5.00 113.70 107.53 2rml s SER 124 Ca 0.16 -1.29 0.38 0.00 0.48 0.00 0.00 55.95 55.68 2rml s SER 124 Cb -0.00 0.10 1.79 0.00 0.10 0.00 0.00 66.02 68.01 2rml s SER 124 CO 0.03 -0.63 2.14 0.58 0.98 0.00 0.00 173.24 176.34 2rml h VAL 125 N 2.47 0.00 -0.49 5.02 2.07 -2.03 -1.40 116.25 121.90 2rml h VAL 125 Ca -0.38 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2rml h VAL 125 Cb 1.23 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2rml h VAL 125 CO 0.63 0.00 0.26 0.28 0.02 0.00 0.00 177.57 178.76 2rml h SER 126 N 0.00 0.40 -0.36 0.57 0.02 -1.99 -0.59 113.55 111.59 2rml h SER 126 Ca -0.00 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 2rml h SER 126 Cb 0.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2rml h SER 126 CO 0.00 0.28 -0.29 0.44 -1.14 0.00 0.00 176.83 176.12 2rml h ASP 127 N 0.52 0.88 -0.16 3.07 3.32 -1.68 -2.34 116.42 120.03 2rml h ASP 127 Ca 0.21 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 2rml h ASP 127 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2rml h ASP 127 CO -0.13 1.14 0.02 -0.07 -1.72 0.00 0.00 179.24 178.48 2rml h LEU 128 N 0.63 0.26 -0.34 1.55 3.38 -1.39 -1.04 115.31 118.37 2rml h LEU 128 Ca 0.07 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2rml h LEU 128 Cb 0.86 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2rml h LEU 128 CO 0.08 0.47 0.19 0.11 0.09 0.00 0.00 178.44 179.38 2rml h LYS 129 N 0.04 0.38 -0.50 1.13 1.57 -1.14 -1.79 116.57 116.26 2rml h LYS 129 Ca 0.05 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2rml h LYS 129 Cb 0.33 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2rml h LYS 129 CO 0.00 0.25 0.29 0.93 -0.57 0.00 0.00 179.45 180.35 2rml h GLU 130 N 0.39 0.67 0.00 3.15 5.08 -1.32 0.57 114.58 123.12 2rml h GLU 130 Ca 0.14 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 2rml h GLU 130 Cb 0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2rml h GLU 130 CO -0.07 0.48 -0.39 0.00 -1.00 0.00 0.00 179.01 178.03 2rml h ALA 131 N 1.64 1.11 0.00 3.43 0.00 -0.74 -3.28 119.26 121.42 2rml h ALA 131 Ca 0.18 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 2rml h ALA 131 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2rml h ALA 131 CO -0.03 0.49 -1.82 0.28 0.00 0.00 0.00 179.25 178.16 2rml n VAL 132 N -3.72 1.33 -0.28 0.00 0.31 -0.71 -4.20 118.33 111.05 2rml n VAL 132 Ca -0.01 -0.76 0.18 0.00 -0.01 0.00 0.00 64.34 63.73 2rml n VAL 132 Cb 0.47 -0.73 0.46 0.00 -0.91 0.00 0.00 33.84 33.13 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 0.52 0.19 4.52 3.58 -0.96 -0.41 116.42 123.85 2rml h ASP 133 Ca -0.30 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2rml h ASP 133 Cb 1.89 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.90 2rml h ASP 133 CO 0.05 0.20 -0.06 0.50 -2.88 0.00 0.00 179.24 177.05 2rml h LYS 134 N 0.51 0.00 -0.00 0.28 3.64 -1.73 -0.80 116.57 118.46 2rml h LYS 134 Ca 0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 2rml h LYS 134 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2rml h LYS 134 CO -0.24 0.06 -0.48 1.28 -2.27 0.00 0.00 179.45 177.81 2rml n LEU 135 N -3.73 0.85 0.00 5.20 7.99 -0.18 -5.00 117.00 122.14 2rml n LEU 135 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 56.01 55.77 2rml n LEU 135 Cb 0.16 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2rml n LEU 135 CO 0.29 0.18 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 2rml n GLY 136 N 1.44 3.20 2.76 -0.72 0.00 -0.31 -5.07 105.19 106.50 2rml n GLY 136 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.87 -3.81 -4.03 1.61 4.01 -1.24 -4.91 117.16 107.92 2rml n TYR 137 Ca 0.00 -0.81 -0.12 0.00 -0.16 0.00 0.00 57.90 56.82 2rml n TYR 137 Cb 0.00 -0.83 -0.11 0.00 -0.31 0.00 0.00 39.34 38.09 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -5.01 0.45 -0.18 -0.72 0.00 -1.26 -3.93 119.74 109.07 2rml s LYS 138 Ca 0.55 -0.70 -0.15 0.00 0.00 0.00 0.00 55.97 55.67 2rml s LYS 138 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.61 2rml s LYS 138 CO 0.41 0.01 0.35 -0.51 0.00 0.00 0.00 175.35 175.61 2rml s LEU 139 N -1.52 4.19 0.03 2.77 1.43 -1.26 -3.82 118.68 120.49 2rml s LEU 139 Ca -0.12 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2rml s LEU 139 Cb -0.10 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2rml s LEU 139 CO -0.00 0.01 0.01 -0.54 0.23 0.00 0.00 176.35 176.05 2rml s LYS 140 N 0.92 2.73 0.25 1.70 1.02 -0.67 -4.94 119.74 120.75 2rml s LYS 140 Ca 0.18 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 55.27 2rml s LYS 140 Cb -0.14 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 2rml s LYS 140 CO 0.06 0.60 0.80 -0.51 -0.92 0.00 0.00 175.35 175.38 2rml s LEU 141 N -1.80 4.36 -0.27 3.17 1.43 -1.26 -1.24 118.68 123.06 2rml s LEU 141 Ca 0.22 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 2rml s LEU 141 Cb -0.12 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2rml s LEU 141 CO 0.13 0.01 0.26 -0.75 0.23 0.00 0.00 176.35 176.23 2rml s LYS 142 N -1.95 3.99 0.00 1.70 2.47 -1.23 -0.95 119.74 123.76 2rml s LYS 142 Ca 0.45 -0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 2rml s LYS 142 Cb -0.18 -3.65 0.00 0.00 -1.46 0.00 0.00 37.83 32.55 2rml s LYS 142 CO 0.22 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 175.95 2rml n GLY 143 N 4.83 0.62 0.00 5.54 0.00 -1.26 -4.79 105.19 110.13 2rml n GLY 143 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.98 -0.33 0.01 1.61 1.02 -1.24 -4.80 120.64 114.93 2rml n GLU 144 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 2rml n GLU 144 Cb 0.01 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2rml n GLU 144 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2rml n GLN 145 N -0.02 0.00 0.18 3.49 7.27 -1.13 -4.89 117.38 122.27 2rml n GLN 145 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 2rml n GLN 145 Cb 0.14 0.00 0.11 0.00 2.41 0.00 0.00 30.24 32.91 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 0.00 0.00 1.69 1.82 -1.37 -3.48 116.42 115.09 2rml h ASP 146 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2rml h ASP 146 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2rml h ASP 146 CO 0.00 0.00 0.00 -1.20 -1.61 0.00 0.00 179.24 176.43