#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml s LEU 2 N 0.00 3.66 0.28 -0.89 1.02 -1.26 -5.02 118.68 116.47 2rml s LEU 2 Ca 0.00 1.07 -0.02 0.00 0.02 0.00 0.00 54.13 55.20 2rml s LEU 2 Cb 0.00 -4.01 0.38 0.00 0.02 0.00 0.00 46.19 42.58 2rml s LEU 2 CO 0.00 -0.54 1.87 0.28 0.02 0.00 0.00 176.35 177.98 2rml h SER 3 N 0.58 0.88 0.00 2.29 0.02 -2.06 -3.40 113.55 111.87 2rml h SER 3 Ca -0.47 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2rml h SER 3 Cb 1.20 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2rml h SER 3 CO 0.63 0.77 0.00 -1.84 -1.14 0.00 0.00 176.83 175.24 2rml n GLU 4 N -4.32 0.66 -2.14 3.45 0.28 -1.26 -5.11 120.64 112.20 2rml n GLU 4 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.65 2rml n GLU 4 Cb 0.15 -0.06 -0.02 0.00 1.43 0.00 0.00 31.44 32.94 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 0.00 4.37 0.02 3.44 -0.21 -1.26 -4.31 119.66 121.71 2rml s GLN 5 Ca 0.00 2.17 0.03 0.00 0.02 0.00 0.00 55.36 57.59 2rml s GLN 5 Cb 0.00 -3.11 -0.02 0.00 1.00 0.00 0.00 33.01 30.89 2rml s GLN 5 CO 0.00 -0.21 -0.11 0.15 -2.12 0.00 0.00 175.29 173.01 2rml s LYS 6 N -1.26 0.76 0.23 2.91 -0.14 -0.21 -4.40 119.74 117.63 2rml s LYS 6 Ca 0.52 -0.59 0.05 0.00 -1.36 0.00 0.00 55.97 54.59 2rml s LYS 6 Cb -0.39 -0.71 -0.03 0.00 -1.68 0.00 0.00 37.83 35.02 2rml s LYS 6 CO 0.48 0.18 0.29 -1.83 -0.76 0.00 0.00 175.35 173.71 2rml s GLU 7 N -0.88 3.26 -0.04 1.68 1.03 -1.26 -0.95 118.70 121.53 2rml s GLU 7 Ca -0.00 -0.83 -0.30 0.00 0.03 0.00 0.00 54.97 53.87 2rml s GLU 7 Cb -0.07 -2.79 0.08 0.00 -0.80 0.00 0.00 34.13 30.56 2rml s GLU 7 CO 0.01 0.44 0.73 -1.50 -1.33 0.00 0.00 175.26 173.60 2rml s ILE 8 N -1.98 0.00 0.00 1.83 2.07 -0.29 -4.98 121.20 117.85 2rml s ILE 8 Ca 0.34 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.57 2rml s ILE 8 Cb -0.09 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.49 2rml s ILE 8 CO 0.27 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.31 2rml s ALA 9 N -1.51 0.01 -0.13 1.50 0.00 -1.26 -0.32 121.76 120.04 2rml s ALA 9 Ca -0.08 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.41 2rml s ALA 9 Cb -0.00 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.24 2rml s ALA 9 CO 0.06 -0.07 0.74 1.41 0.00 0.00 0.00 175.76 177.90 2rml s MET 10 N -0.56 0.93 -0.05 0.00 0.00 -0.40 -3.39 119.30 115.84 2rml s MET 10 Ca -0.06 0.44 -0.28 0.00 0.00 0.00 0.00 55.69 55.79 2rml s MET 10 Cb -0.04 0.44 -0.03 0.00 0.00 0.00 0.00 34.83 35.20 2rml s MET 10 CO -0.00 -0.25 0.89 -1.14 0.00 0.00 0.00 175.02 174.52 2rml s GLN 11 N -0.74 4.49 -0.19 4.11 0.74 -1.26 -0.14 119.66 126.66 2rml s GLN 11 Ca -0.07 1.22 -0.01 0.00 0.05 0.00 0.00 55.36 56.55 2rml s GLN 11 Cb -0.01 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.62 2rml s GLN 11 CO 0.06 -0.07 -0.12 0.54 -0.55 0.00 0.00 175.29 175.16 2rml s VAL 12 N 1.15 2.79 -0.03 1.34 0.11 0.28 -0.74 120.40 125.30 2rml s VAL 12 Ca 0.46 -0.70 0.06 0.00 -2.93 0.00 0.00 61.98 58.87 2rml s VAL 12 Cb -0.19 -2.23 -0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2rml s VAL 12 CO 0.23 0.48 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.73 2rml s SER 13 N 1.28 3.56 0.00 3.54 0.15 0.53 -4.63 113.70 118.13 2rml s SER 13 Ca 0.03 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2rml s SER 13 Cb -0.14 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2rml s SER 13 CO -0.06 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2rml n GLY 14 N 2.29 1.77 0.72 9.45 0.00 -1.26 -1.36 105.19 116.79 2rml n GLY 14 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.55 1.71 0.00 1.61 2.81 -1.26 -4.57 117.12 116.87 2rml n MET 15 Ca 0.00 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.30 2rml n MET 15 Cb 0.00 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 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 0.10 0.00 0.38 2.03 -2.24 -1.26 -1.21 114.28 112.08 2rml n THR 16 Ca 0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 2rml n THR 16 Cb 0.40 -0.23 0.15 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.14 0.00 0.14 0.00 0.00 -0.35 -4.40 120.51 117.05 2rml n ALA 18 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.64 2rml n ALA 18 Cb 0.51 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.21 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 1.14 -0.28 0.00 0.00 -1.26 -1.20 120.51 118.91 2rml n ALA 19 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2rml n ALA 19 Cb 0.00 -1.15 0.23 0.00 0.00 0.00 0.00 19.45 18.53 2rml n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 21 N 1.75 -0.93 -0.08 0.00 0.00 -1.46 -0.70 119.26 117.84 2rml h ALA 21 Ca 0.49 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2rml h ALA 21 Cb 0.94 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2rml h ALA 21 CO -0.65 -1.06 0.11 0.00 0.00 0.00 0.00 179.25 177.65 2rml h ALA 22 N -0.53 1.54 0.12 0.00 0.00 -1.60 -1.60 119.26 117.19 2rml h ALA 22 Ca -0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 2rml h ALA 22 Cb 0.76 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2rml h ALA 22 CO -0.08 -0.15 -1.34 -0.09 0.00 0.00 0.00 179.25 177.59 2rml h ARG 23 N 0.00 0.26 0.21 0.00 9.65 -0.40 -3.21 114.38 120.89 2rml h ARG 23 Ca 0.04 -0.44 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 2rml h ARG 23 Cb 0.26 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2rml h ARG 23 CO -0.00 1.17 -0.10 0.82 2.80 0.00 0.00 179.97 184.66 2rml h ILE 24 N 0.07 0.88 -0.38 1.20 1.08 -0.15 -1.43 117.51 118.79 2rml h ILE 24 Ca -0.17 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 2rml h ILE 24 Cb 1.99 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.92 2rml h ILE 24 CO 0.19 0.12 0.23 -0.33 -0.69 0.00 0.00 178.15 177.67 2rml h GLU 25 N -0.56 0.45 0.00 2.37 5.08 -1.65 -1.11 114.58 119.16 2rml h GLU 25 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2rml h GLU 25 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2rml h GLU 25 CO 0.05 0.30 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.96 2rml h LYS 26 N 0.46 0.00 -0.24 2.33 3.11 -1.61 0.55 116.57 121.17 2rml h LYS 26 Ca 0.15 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.87 2rml h LYS 26 Cb -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2rml h LYS 26 CO -0.06 0.17 -0.28 0.78 -2.81 0.00 0.00 179.45 177.25 2rml h GLY 27 N 1.85 0.68 0.47 5.01 0.00 -0.56 -3.19 103.07 107.33 2rml h GLY 27 Ca -0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 2rml h GLY 27 CO 0.02 0.65 -0.07 1.41 0.00 0.00 0.00 176.54 178.55 2rml h LEU 28 N 0.33 -0.16 -0.01 3.11 3.38 -1.01 -3.32 115.31 117.64 2rml h LEU 28 Ca 0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2rml h LEU 28 Cb 0.85 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2rml h LEU 28 CO 0.07 0.34 0.03 1.17 0.09 0.00 0.00 178.44 180.15 2rml n LYS 29 N -4.94 0.00 0.27 1.13 4.81 0.17 -1.01 118.16 118.59 2rml n LYS 29 Ca -0.08 0.47 0.13 0.00 -0.87 0.00 0.00 58.31 57.95 2rml n LYS 29 Cb 0.27 -1.54 0.78 0.00 0.02 0.00 0.00 35.03 34.55 2rml n LYS 29 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2rml h ARG 30 N 0.00 0.00 -6.82 1.64 1.12 -1.65 -3.46 114.38 105.21 2rml h ARG 30 Ca 0.00 0.00 -0.49 0.00 -1.11 0.00 0.00 59.98 58.38 2rml h ARG 30 Cb 0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.03 2rml h ARG 30 CO 0.00 0.07 0.40 -1.64 -3.11 0.00 0.00 179.97 175.69 2rml s MET 31 N -4.49 4.64 0.28 0.20 -1.94 -0.18 -4.98 119.30 112.83 2rml s MET 31 Ca -0.04 1.58 0.00 0.00 -1.71 0.00 0.00 55.69 55.52 2rml s MET 31 Cb 0.15 -3.07 0.41 0.00 2.01 0.00 0.00 34.83 34.33 2rml s MET 31 CO 0.59 0.28 1.79 -1.00 -0.01 0.00 0.00 175.02 176.67 2rml h PRO 32 N 3.65 0.70 -1.00 2.03 0.13 -1.89 -3.22 132.00 132.39 2rml h PRO 32 Ca -0.46 -0.18 -0.52 0.00 -0.87 0.00 0.00 66.00 63.96 2rml h PRO 32 Cb 1.20 -0.09 -0.31 0.00 0.13 0.00 0.00 31.00 31.94 2rml h PRO 32 CO 0.66 0.72 0.66 0.41 -0.23 0.00 0.00 178.00 180.23 2rml n GLY 33 N -0.69 4.53 3.42 1.56 0.00 -1.26 -4.86 105.19 107.89 2rml n GLY 33 Ca 0.02 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 2rml n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rml s VAL 34 N -3.33 2.88 -0.07 1.61 0.11 -1.22 -0.65 120.40 119.74 2rml s VAL 34 Ca 0.57 -0.77 0.10 0.00 -2.93 0.00 0.00 61.98 58.95 2rml s VAL 34 Cb 0.48 -2.13 -0.15 0.00 -1.53 0.00 0.00 36.38 33.05 2rml s VAL 34 CO 0.10 0.58 0.13 1.07 -3.33 0.00 0.00 175.10 173.65 2rml n THR 35 N 2.62 0.41 -3.49 5.04 5.66 0.03 -4.92 114.28 119.64 2rml n THR 35 Ca -0.17 -0.37 -0.13 0.00 -3.05 0.00 0.00 64.05 60.33 2rml n THR 35 Cb 0.52 -0.31 -0.04 0.00 -1.55 0.00 0.00 70.33 68.96 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 -3.88 -0.54 -0.04 1.09 2.15 -0.64 -5.00 116.67 109.81 2rml s ASP 36 Ca -0.05 0.28 -0.01 0.00 0.43 0.00 0.00 52.55 53.20 2rml s ASP 36 Cb 0.05 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.21 2rml s ASP 36 CO 0.45 -0.72 0.08 0.00 -0.17 0.00 0.00 175.17 174.82 2rml s ALA 37 N -2.51 -0.09 -0.14 3.66 0.00 -1.26 -0.75 121.76 120.68 2rml s ALA 37 Ca -0.02 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 2rml s ALA 37 Cb -0.01 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.84 2rml s ALA 37 CO -0.03 -0.12 0.06 -0.80 0.00 0.00 0.00 175.76 174.87 2rml s ASN 38 N 1.01 2.11 -0.22 0.00 0.01 0.09 -4.87 114.94 113.07 2rml s ASN 38 Ca -0.08 -0.45 -0.05 0.00 -0.71 0.00 0.00 52.86 51.57 2rml s ASN 38 Cb -0.11 -0.30 -0.02 0.00 0.41 0.00 0.00 41.25 41.23 2rml s ASN 38 CO -0.04 -0.30 0.01 0.54 -1.51 0.00 0.00 177.10 175.80 2rml s VAL 39 N 2.08 3.90 -0.77 1.60 0.11 -1.26 -0.92 120.40 125.14 2rml s VAL 39 Ca 0.02 -0.32 -0.26 0.00 -2.93 0.00 0.00 61.98 58.49 2rml s VAL 39 Cb -0.15 -2.79 0.02 0.00 -1.53 0.00 0.00 36.38 31.94 2rml s VAL 39 CO -0.07 0.40 1.40 0.21 -3.33 0.00 0.00 175.10 173.71 2rml s ASN 40 N 1.33 6.06 0.23 3.54 2.47 0.43 -4.87 114.94 124.13 2rml s ASN 40 Ca 0.04 -0.50 0.26 0.00 0.42 0.00 0.00 52.86 53.07 2rml s ASN 40 Cb -0.15 -2.56 0.86 0.00 -1.45 0.00 0.00 41.25 37.95 2rml s ASN 40 CO 0.01 -1.89 1.76 -0.11 -3.72 0.00 0.00 177.10 173.15 2rml n LEU 41 N 9.90 0.79 0.00 3.21 7.94 -1.26 -1.49 117.00 136.09 2rml n LEU 41 Ca 0.11 0.60 0.04 0.00 -1.11 0.00 0.00 56.01 55.65 2rml n LEU 41 Cb 0.50 -0.39 0.25 0.00 0.53 0.00 0.00 43.42 44.31 2rml n LEU 41 CO 0.70 -0.29 0.62 0.00 -1.11 0.00 0.00 177.39 177.31 2rml n ALA 42 N -1.79 2.46 -2.00 1.96 0.00 -1.26 -4.66 120.51 115.22 2rml n ALA 42 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2rml n ALA 42 Cb 0.38 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.64 0.00 -2.36 0.00 -1.04 -1.03 -5.08 114.28 104.12 2rml n THR 43 Ca 0.06 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.03 2rml n THR 43 Cb 0.03 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.57 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 0.00 0.72 -3.86 -2.82 1.02 -0.55 -4.99 120.64 110.16 2rml n GLU 44 Ca 0.00 -1.17 -0.36 0.00 -0.02 0.00 0.00 57.16 55.61 2rml n GLU 44 Cb 0.00 0.42 -0.13 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.01 3.30 -0.33 2.62 2.01 -0.90 -0.56 115.64 121.77 2rml s THR 45 Ca 0.06 -1.12 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 2rml s THR 45 Cb 0.24 -2.80 0.00 0.00 0.01 0.00 0.00 72.50 69.95 2rml s THR 45 CO -0.07 -0.01 0.70 -0.55 -0.69 0.00 0.00 174.62 174.00 2rml s SER 46 N 1.34 6.53 -0.24 3.53 0.15 0.79 -0.43 113.70 125.39 2rml s SER 46 Ca -0.02 0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.95 2rml s SER 46 Cb -0.18 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2rml s SER 46 CO -0.00 -0.60 0.11 0.20 1.20 0.00 0.00 173.24 174.15 2rml s ASN 47 N 1.72 5.61 0.00 5.45 0.01 -0.10 -1.28 114.94 126.36 2rml s ASN 47 Ca 0.28 -0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.41 2rml s ASN 47 Cb -0.14 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 2rml s ASN 47 CO 0.14 0.03 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.00 2rml s VAL 48 N 1.25 0.56 -0.09 1.60 1.01 0.56 -0.73 120.40 124.55 2rml s VAL 48 Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2rml s VAL 48 Cb -0.14 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.76 2rml s VAL 48 CO 0.05 0.07 -0.10 -0.63 0.00 0.00 0.00 175.10 174.49 2rml s ILE 49 N -0.35 1.06 0.28 2.22 1.09 0.07 -1.13 121.20 124.45 2rml s ILE 49 Ca 0.01 -0.37 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 2rml s ILE 49 Cb -0.04 -1.03 -0.05 0.00 -1.06 0.00 0.00 42.46 40.28 2rml s ILE 49 CO -0.00 0.36 0.09 -0.72 -0.10 0.00 0.00 174.94 174.57 2rml s TYR 50 N 1.21 1.67 -0.31 3.97 1.13 -0.12 -0.79 117.35 124.10 2rml s TYR 50 Ca -0.04 -1.13 -0.12 0.00 -1.41 0.00 0.00 57.07 54.37 2rml s TYR 50 Cb -0.14 -1.01 -0.03 0.00 -1.10 0.00 0.00 41.96 39.68 2rml s TYR 50 CO -0.03 -0.25 0.21 0.34 -2.51 0.00 0.00 175.55 173.32 2rml s ASP 51 N -3.37 5.99 0.00 -0.18 -1.08 0.17 -1.04 116.67 117.15 2rml s ASP 51 Ca 0.37 -0.25 0.31 0.00 -0.52 0.00 0.00 52.55 52.46 2rml s ASP 51 Cb 0.08 -2.12 1.74 0.00 -1.46 0.00 0.00 42.92 41.16 2rml s ASP 51 CO 0.14 -0.15 2.14 -0.81 0.52 0.00 0.00 175.17 177.02 2rml n PRO 52 N 5.07 0.95 -0.09 4.34 -0.04 -1.26 -1.50 135.00 142.47 2rml n PRO 52 Ca -0.13 -0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.01 2rml n PRO 52 Cb 0.51 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.95 1.11 0.99 0.55 0.00 -1.26 -4.61 120.51 116.35 2rml n ALA 53 Ca 0.22 -0.85 0.12 0.00 0.00 0.00 0.00 53.44 52.92 2rml n ALA 53 Cb 0.16 -0.30 0.31 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.74 2.02 -3.64 0.00 -0.58 -1.20 -4.96 120.64 108.54 2rml n GLU 54 Ca -0.41 -1.52 -0.05 0.00 -0.42 0.00 0.00 57.16 54.75 2rml n GLU 54 Cb 0.93 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 30.34 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 -1.78 0.00 0.06 2.62 2.01 -0.57 -4.19 115.64 113.79 2rml s THR 55 Ca 0.34 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 2rml s THR 55 Cb 0.20 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2rml s THR 55 CO 0.30 0.00 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.37 2rml s GLY 56 N -2.73 0.51 0.21 4.40 0.00 -1.26 -4.06 107.32 104.39 2rml s GLY 56 Ca 0.10 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 2rml s GLY 56 CO -0.03 -1.33 1.65 0.00 0.00 0.00 0.00 173.10 173.39 2rml h THR 57 N 3.13 0.45 0.00 0.90 1.03 -1.95 -0.50 112.91 115.97 2rml h THR 57 Ca -0.34 -0.02 -0.08 0.00 -0.01 0.00 0.00 66.41 65.96 2rml h THR 57 Cb 1.14 0.38 -0.01 0.00 -1.07 0.00 0.00 68.15 68.59 2rml h THR 57 CO 0.66 0.01 -0.37 0.00 -0.01 0.00 0.00 175.52 175.81 2rml h ALA 58 N 1.58 1.35 -0.00 0.00 0.00 -1.98 -1.56 119.26 118.65 2rml h ALA 58 Ca 0.31 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2rml h ALA 58 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rml h ALA 58 CO -0.56 0.46 -0.71 0.00 0.00 0.00 0.00 179.25 178.43 2rml h ALA 59 N 1.63 0.82 0.17 0.00 0.00 -1.52 -1.37 119.26 118.98 2rml h ALA 59 Ca -0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 54.91 53.96 2rml h ALA 59 Cb 0.67 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.36 2rml h ALA 59 CO 0.05 0.89 -1.33 -0.84 0.00 0.00 0.00 179.25 178.02 2rml h ILE 60 N 0.01 1.42 -0.79 0.00 3.07 -1.21 -2.74 117.51 117.26 2rml h ILE 60 Ca -0.01 -2.95 -0.05 0.00 1.55 0.00 0.00 64.86 63.41 2rml h ILE 60 Cb 1.27 2.98 -0.03 0.00 -0.27 0.00 0.00 36.82 40.76 2rml h ILE 60 CO 0.09 0.87 0.31 0.06 -1.05 0.00 0.00 178.15 178.43 2rml h GLN 61 N 0.10 1.18 -0.96 0.16 3.07 -1.21 -1.65 115.11 115.79 2rml h GLN 61 Ca -0.18 -0.22 0.05 0.00 0.09 0.00 0.00 58.65 58.40 2rml h GLN 61 Cb 2.04 -0.19 -0.06 0.00 0.08 0.00 0.00 27.48 29.35 2rml h GLN 61 CO 0.23 0.96 0.63 1.49 0.09 0.00 0.00 178.83 182.22 2rml h GLU 62 N 1.15 1.14 0.00 0.06 4.81 -1.36 -1.57 114.58 118.81 2rml h GLU 62 Ca 0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2rml h GLU 62 Cb 0.22 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2rml h GLU 62 CO -0.02 0.75 0.00 1.63 -0.73 0.00 0.00 179.01 180.64 2rml n LYS 63 N -4.46 0.09 -0.07 1.92 4.01 -0.69 -1.65 118.16 117.31 2rml n LYS 63 Ca 0.14 0.15 -0.09 0.00 -0.51 0.00 0.00 58.31 57.99 2rml n LYS 63 Cb 0.14 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.09 2rml n LYS 63 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2rml h ILE 64 N 0.00 0.78 -0.93 -0.18 2.04 -0.61 -3.39 117.51 115.22 2rml h ILE 64 Ca 0.00 -1.67 0.18 0.00 1.00 0.00 0.00 64.86 64.37 2rml h ILE 64 Cb 0.28 1.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 2rml h ILE 64 CO 0.00 0.27 0.60 -0.33 0.00 0.00 0.00 178.15 178.68 2rml h GLU 65 N -1.00 0.57 0.00 2.37 4.39 -1.32 -2.03 114.58 117.55 2rml h GLU 65 Ca -0.06 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2rml h GLU 65 Cb 0.65 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2rml h GLU 65 CO -0.04 0.37 0.00 1.17 -1.16 0.00 0.00 179.01 179.36 2rml n LYS 66 N -4.59 0.08 0.04 2.33 0.00 -0.66 -1.66 118.16 113.71 2rml n LYS 66 Ca 0.20 0.57 0.12 0.00 0.00 0.00 0.00 58.31 59.20 2rml n LYS 66 Cb 0.60 -1.77 0.19 0.00 0.00 0.00 0.00 35.03 34.06 2rml n LYS 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2rml n LEU 67 N -1.94 0.62 0.00 3.14 7.99 -0.76 -4.99 117.00 121.05 2rml n LEU 67 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 2rml n LEU 67 Cb 0.03 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 2rml n LEU 67 CO 0.06 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 2rml n GLY 68 N 1.39 0.51 3.15 -0.72 0.00 -0.66 -5.07 105.19 103.79 2rml n GLY 68 Ca 0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 2.05 -0.07 1.61 2.02 -1.26 -5.03 117.35 114.67 2rml s TYR 69 Ca 0.00 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 55.98 2rml s TYR 69 Cb 0.00 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 2rml s TYR 69 CO 0.00 -0.30 -0.13 -1.01 -1.57 0.00 0.00 175.55 172.54 2rml s HIS 70 N 0.31 2.77 0.04 2.71 3.76 -0.46 -4.38 115.29 120.03 2rml s HIS 70 Ca -0.13 -0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 2rml s HIS 70 Cb -0.15 -1.70 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 2rml s HIS 70 CO 0.05 0.11 1.62 0.08 -0.85 0.00 0.00 174.74 175.76 2rml s VAL 71 N -0.47 3.22 -0.37 -0.90 1.01 -1.26 -0.35 120.40 121.29 2rml s VAL 71 Ca 0.06 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 2rml s VAL 71 Cb -0.12 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2rml s VAL 71 CO 0.02 -0.01 1.38 -0.69 0.00 0.00 0.00 175.10 175.80 2rml s VAL 72 N 2.85 3.98 -0.08 2.92 1.01 0.08 -4.93 120.40 126.23 2rml s VAL 72 Ca 0.73 1.04 -0.31 0.00 0.00 0.00 0.00 61.98 63.44 2rml s VAL 72 Cb -0.38 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 31.92 2rml s VAL 72 CO 0.31 -0.64 0.75 0.28 0.00 0.00 0.00 175.10 175.80 2rml s THR 73 N 5.06 0.00 0.27 3.92 -1.32 -1.26 -4.15 115.64 118.16 2rml s THR 73 Ca 0.60 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.98 2rml s THR 73 Cb -0.15 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.84 2rml s THR 73 CO 0.29 0.00 0.47 -1.83 -2.21 0.00 0.00 174.62 171.34 2rml s GLU 74 N -1.15 1.63 -0.37 7.08 -1.05 -0.63 -4.96 118.70 119.25 2rml s GLU 74 Ca -0.09 -1.39 -0.20 0.00 -0.15 0.00 0.00 54.97 53.14 2rml s GLU 74 Cb -0.00 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2rml s GLU 74 CO 0.08 -0.67 0.64 -1.59 0.95 0.00 0.00 175.26 174.66 2rml s LYS 75 N -3.75 3.63 0.27 -4.83 -2.85 -1.26 -1.55 119.74 109.40 2rml s LYS 75 Ca 0.25 0.00 -0.10 0.00 -1.00 0.00 0.00 55.97 55.12 2rml s LYS 75 Cb -0.00 -3.82 -0.07 0.00 -2.06 0.00 0.00 37.83 31.87 2rml s LYS 75 CO 0.12 -0.77 0.60 0.00 0.10 0.00 0.00 175.35 175.40 2rml s ALA 76 N 2.72 3.51 0.08 0.59 0.00 0.03 -4.93 121.76 123.76 2rml s ALA 76 Ca 0.24 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.02 2rml s ALA 76 Cb -0.14 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2rml s ALA 76 CO 0.15 0.39 -0.18 -1.21 0.00 0.00 0.00 175.76 174.92 2rml s GLU 77 N -3.05 0.99 0.02 0.00 2.02 -1.26 -0.33 118.70 117.08 2rml s GLU 77 Ca 0.48 -1.04 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 2rml s GLU 77 Cb -0.11 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.98 2rml s GLU 77 CO 0.23 0.26 -0.02 -0.06 0.02 0.00 0.00 175.26 175.69 2rml s PHE 78 N -1.19 0.27 -0.18 1.61 0.40 -0.47 -3.46 117.98 114.95 2rml s PHE 78 Ca 0.02 -0.55 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 2rml s PHE 78 Cb -0.10 -0.20 -0.03 0.00 0.51 0.00 0.00 43.02 43.20 2rml s PHE 78 CO 0.03 -0.22 0.03 0.34 0.70 0.00 0.00 175.22 176.10 2rml s ASP 79 N -1.59 5.23 0.03 1.36 -1.08 -0.25 -1.17 116.67 119.21 2rml s ASP 79 Ca -0.14 -0.05 -0.01 0.00 -0.52 0.00 0.00 52.55 51.83 2rml s ASP 79 Cb -0.08 -1.89 -0.04 0.00 -1.46 0.00 0.00 42.92 39.45 2rml s ASP 79 CO -0.02 0.14 0.20 -0.63 0.52 0.00 0.00 175.17 175.38 2rml s ILE 80 N 0.58 5.39 -0.32 4.11 1.09 0.81 -0.49 121.20 132.37 2rml s ILE 80 Ca 0.01 -0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.27 2rml s ILE 80 Cb -0.14 -3.58 0.10 0.00 -1.06 0.00 0.00 42.46 37.78 2rml s ILE 80 CO 0.02 0.22 0.07 -0.70 -0.10 0.00 0.00 174.94 174.45 2rml s GLU 81 N -2.27 1.07 0.00 2.79 2.12 -1.14 -4.68 118.70 116.58 2rml s GLU 81 Ca 0.32 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 54.23 2rml s GLU 81 Cb -0.13 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.73 2rml s GLU 81 CO 0.24 -0.96 0.00 0.41 -0.54 0.00 0.00 175.26 174.42 2rml n GLY 82 N 4.58 0.00 2.34 -1.50 0.00 -1.26 -3.96 105.19 105.40 2rml n GLY 82 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.96 0.00 1.61 0.00 -1.26 -4.82 117.12 113.60 2rml n MET 83 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 57.70 54.75 2rml n MET 83 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.73 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 0.42 0.00 -3.66 3.17 -2.24 -1.26 -4.50 114.28 106.21 2rml n THR 84 Ca 0.19 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.83 2rml n THR 84 Cb 0.66 -0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 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 4.10 2.19 -0.52 0.00 0.00 -1.90 -0.28 119.26 122.86 2rml h ALA 86 Ca -0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2rml h ALA 86 Cb 1.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2rml h ALA 86 CO 0.31 -0.26 0.02 0.00 0.00 0.00 0.00 179.25 179.32 2rml h ALA 87 N 1.86 1.05 -0.21 0.00 0.00 -1.96 -0.70 119.26 119.30 2rml h ALA 87 Ca 0.13 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2rml h ALA 87 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2rml h ALA 87 CO -0.01 0.60 -0.46 0.00 0.00 0.00 0.00 179.25 179.37 2rml h ALA 89 N 1.06 -0.98 -0.36 0.00 0.00 -1.21 -3.24 119.26 114.52 2rml h ALA 89 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2rml h ALA 89 Cb 0.98 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2rml h ALA 89 CO 0.09 -1.03 0.24 -0.97 0.00 0.00 0.00 179.25 177.58 2rml h ASN 90 N -1.03 0.31 -0.96 0.00 -0.73 -1.05 -0.18 115.58 111.94 2rml h ASN 90 Ca -0.10 -0.00 0.17 0.00 1.87 0.00 0.00 56.30 58.24 2rml h ASN 90 Cb 0.76 -0.07 -0.10 0.00 0.27 0.00 0.00 38.32 39.18 2rml h ASN 90 CO 0.16 0.21 0.56 0.03 -0.37 0.00 0.00 177.43 178.03 2rml h ARG 91 N 0.36 0.73 0.09 6.67 3.08 -1.25 -2.40 114.38 121.66 2rml h ARG 91 Ca 0.15 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.83 2rml h ARG 91 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2rml h ARG 91 CO -0.03 0.48 -1.75 -0.84 -1.07 0.00 0.00 179.97 176.76 2rml h ILE 92 N 0.75 0.88 -0.85 2.04 3.07 -1.13 -3.39 117.51 118.87 2rml h ILE 92 Ca 0.54 -2.60 0.19 0.00 1.55 0.00 0.00 64.86 64.54 2rml h ILE 92 Cb 0.79 2.58 -0.12 0.00 -0.27 0.00 0.00 36.82 39.80 2rml h ILE 92 CO -0.37 0.76 0.36 -0.08 -1.05 0.00 0.00 178.15 177.77 2rml h GLU 93 N 0.05 0.40 -0.41 0.16 4.81 -0.86 -0.48 114.58 118.27 2rml h GLU 93 Ca -0.32 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.00 2rml h GLU 93 Cb 2.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.30 2rml h GLU 93 CO 0.12 0.27 0.37 -0.22 -0.73 0.00 0.00 179.01 178.81 2rml h LYS 94 N 0.42 0.00 0.00 1.92 3.64 -1.64 -0.03 116.57 120.87 2rml h LYS 94 Ca 0.51 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.53 2rml h LYS 94 Cb 0.91 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 2rml h LYS 94 CO -0.49 0.00 -2.35 -2.13 -2.27 0.00 0.00 179.45 172.21 2rml n ARG 95 N -3.98 0.73 -0.20 1.90 0.63 -0.32 -4.56 116.66 110.86 2rml n ARG 95 Ca 0.07 0.08 -0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2rml n ARG 95 Cb 0.55 -1.49 0.11 0.00 0.45 0.00 0.00 32.46 32.08 2rml n ARG 95 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2rml h LEU 96 N 0.00 0.23 -0.83 6.15 -0.00 -0.64 -3.16 115.31 117.06 2rml h LEU 96 Ca -0.53 0.08 0.22 0.00 -0.00 0.00 0.00 57.88 57.65 2rml h LEU 96 Cb 1.98 0.06 -0.16 0.00 -0.00 0.00 0.00 40.66 42.54 2rml h LEU 96 CO -0.04 0.14 -0.02 -3.20 -0.00 0.00 0.00 178.44 175.32 2rml n ASN 97 N -4.99 -0.13 -3.34 -0.43 2.85 -0.07 -3.16 115.26 105.98 2rml n ASN 97 Ca 0.09 1.41 -0.20 0.00 -0.11 0.00 0.00 54.58 55.77 2rml n ASN 97 Cb 0.27 -0.50 -0.08 0.00 1.24 0.00 0.00 39.78 40.71 2rml n ASN 97 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2rml s LYS 98 N -5.82 0.70 0.00 1.20 1.02 -1.21 -3.80 119.74 111.83 2rml s LYS 98 Ca -0.11 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2rml s LYS 98 Cb 0.24 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 2rml s LYS 98 CO 0.65 -1.24 0.00 -0.89 -0.92 0.00 0.00 175.35 172.94 2rml n ILE 99 N 3.86 0.00 -4.24 2.17 5.41 -1.19 -4.98 119.36 120.39 2rml n ILE 99 Ca 0.15 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.62 2rml n ILE 99 Cb 0.45 -0.12 -0.17 0.00 -0.71 0.00 0.00 39.64 39.09 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 0.00 2.02 0.00 0.38 2.02 -1.26 -4.76 118.70 117.10 2rml s GLU 100 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2rml s GLU 100 Cb 0.00 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.41 2rml s GLU 100 CO 0.00 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2rml n GLY 101 N 4.46 2.93 3.69 -1.39 0.00 -1.22 -4.61 105.19 109.06 2rml n GLY 101 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N -1.76 2.93 -0.19 1.61 1.01 -1.26 -1.06 120.40 121.67 2rml s VAL 102 Ca 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2rml s VAL 102 Cb 0.00 -3.28 -0.21 0.00 0.00 0.00 0.00 36.38 32.89 2rml s VAL 102 CO 0.00 0.00 0.14 0.00 0.00 0.00 0.00 175.10 175.24 2rml n ALA 103 N 5.38 0.97 -3.56 5.51 0.00 0.27 -4.68 120.51 124.40 2rml n ALA 103 Ca 0.16 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 2rml n ALA 103 Cb 0.40 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.26 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 -6.97 -0.16 -0.31 0.00 0.01 -0.70 -4.68 114.94 102.13 2rml s ASN 104 Ca -0.28 0.36 -0.01 0.00 -0.71 0.00 0.00 52.86 52.21 2rml s ASN 104 Cb 0.08 0.28 0.13 0.00 0.41 0.00 0.00 41.25 42.14 2rml s ASN 104 CO 0.65 -0.13 0.23 0.00 -1.51 0.00 0.00 177.10 176.35 2rml s ALA 105 N 0.91 0.10 0.05 0.60 0.00 -1.25 -0.34 121.76 121.83 2rml s ALA 105 Ca -0.07 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2rml s ALA 105 Cb -0.09 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 2rml s ALA 105 CO -0.05 -1.79 0.57 -1.25 0.00 0.00 0.00 175.76 173.24 2rml s PRO 106 N 2.00 4.21 0.05 0.00 0.04 -1.20 -3.91 135.00 136.20 2rml s PRO 106 Ca 0.11 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 61.84 2rml s PRO 106 Cb -0.16 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2rml s PRO 106 CO -0.27 0.59 0.25 0.08 0.04 0.00 0.00 177.00 177.69 2rml s VAL 107 N -0.93 5.34 0.00 -0.36 1.01 -1.26 -2.31 120.40 121.88 2rml s VAL 107 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2rml s VAL 107 Cb -0.19 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2rml s VAL 107 CO 0.18 0.20 0.00 0.59 0.00 0.00 0.00 175.10 176.08 2rml n ASN 108 N 0.55 0.00 0.00 3.32 3.02 0.13 -4.98 115.26 117.30 2rml n ASN 108 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2rml n ASN 108 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2rml n ASN 108 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2rml n PHE 109 N 0.00 0.00 -0.19 3.10 7.35 -1.26 -4.78 117.46 121.68 2rml n PHE 109 Ca 0.00 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2rml n PHE 109 Cb 0.00 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.04 2rml n PHE 109 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rml h ALA 110 N 1.01 1.33 0.00 3.13 0.00 -1.95 0.11 119.26 122.89 2rml h ALA 110 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2rml h ALA 110 Cb 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2rml h ALA 110 CO 0.00 0.53 -0.03 -0.07 0.00 0.00 0.00 179.25 179.69 2rml h LEU 111 N 0.95 0.00 -3.48 0.00 -0.00 -1.97 -3.48 115.31 107.33 2rml h LEU 111 Ca 0.24 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.70 2rml h LEU 111 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2rml h LEU 111 CO -0.03 0.03 -0.88 -0.62 -0.00 0.00 0.00 178.44 176.93 2rml n GLU 112 N -3.85 -1.30 -4.23 1.13 1.02 0.37 -4.79 120.64 108.98 2rml n GLU 112 Ca -0.03 0.76 -0.13 0.00 -0.02 0.00 0.00 57.16 57.75 2rml n GLU 112 Cb 0.11 -3.11 -0.10 0.00 -0.02 0.00 0.00 31.44 28.32 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 -3.11 0.53 -0.01 2.62 -4.23 -1.26 -0.14 115.64 110.04 2rml s THR 113 Ca 0.11 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2rml s THR 113 Cb -0.05 -2.20 -0.00 0.00 1.34 0.00 0.00 72.50 71.59 2rml s THR 113 CO 0.88 -0.38 0.04 0.54 -0.54 0.00 0.00 174.62 175.16 2rml s VAL 114 N -3.76 0.04 -0.13 2.29 0.11 -0.31 -0.69 120.40 117.94 2rml s VAL 114 Ca 0.27 -0.32 -0.04 0.00 -2.93 0.00 0.00 61.98 58.95 2rml s VAL 114 Cb 0.07 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.71 2rml s VAL 114 CO 0.05 -0.18 0.02 -0.89 -3.33 0.00 0.00 175.10 170.78 2rml s THR 115 N -0.54 4.48 -0.24 5.04 2.01 -0.98 -1.37 115.64 124.05 2rml s THR 115 Ca -0.06 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 2rml s THR 115 Cb -0.04 -2.95 0.07 0.00 0.01 0.00 0.00 72.50 69.60 2rml s THR 115 CO -0.00 0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 2rml s VAL 116 N -0.23 0.68 -0.39 3.82 1.01 0.55 -3.24 120.40 122.59 2rml s VAL 116 Ca 0.06 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 2rml s VAL 116 Cb -0.12 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2rml s VAL 116 CO 0.02 -0.38 0.79 -0.70 0.00 0.00 0.00 175.10 174.83 2rml s GLU 117 N 1.76 3.66 0.18 2.72 2.12 0.53 -0.79 118.70 128.88 2rml s GLU 117 Ca 0.03 0.21 -0.17 0.00 0.36 0.00 0.00 54.97 55.40 2rml s GLU 117 Cb -0.17 -3.85 0.03 0.00 0.26 0.00 0.00 34.13 30.40 2rml s GLU 117 CO -0.15 -0.93 0.49 1.52 -0.54 0.00 0.00 175.26 175.65 2rml s TYR 118 N 3.19 -0.12 -0.18 5.30 1.13 -0.59 -0.56 117.35 125.51 2rml s TYR 118 Ca 0.31 -0.21 -0.12 0.00 -1.41 0.00 0.00 57.07 55.65 2rml s TYR 118 Cb -0.13 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 41.04 2rml s TYR 118 CO 0.19 -0.87 0.20 1.21 -2.51 0.00 0.00 175.55 173.77 2rml s ASN 119 N -2.86 6.31 0.25 -0.18 3.84 -0.23 -1.61 114.94 120.47 2rml s ASN 119 Ca 0.08 0.35 0.23 0.00 0.21 0.00 0.00 52.86 53.74 2rml s ASN 119 Cb -0.00 -2.13 0.23 0.00 -0.55 0.00 0.00 41.25 38.80 2rml s ASN 119 CO -0.05 0.15 1.32 1.55 -2.79 0.00 0.00 177.10 177.28 2rml h PRO 120 N 6.62 0.00 0.00 0.43 0.13 -1.87 -3.40 132.00 133.90 2rml h PRO 120 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2rml h PRO 120 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2rml h PRO 120 CO 0.75 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.39 2rml h LYS 121 N 0.00 0.00 -0.48 0.86 1.79 -1.96 -1.70 116.57 115.09 2rml h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2rml h LYS 121 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 2rml h LYS 121 CO 0.00 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.76 2rml n GLU 122 N -2.49 2.90 -3.54 3.15 -0.58 -1.26 -5.05 120.64 113.77 2rml n GLU 122 Ca 0.01 -2.33 -0.11 0.00 -0.42 0.00 0.00 57.16 54.31 2rml n GLU 122 Cb 0.24 -1.43 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 2rml n GLU 122 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rml n ALA 123 N 0.83 -0.57 -3.83 0.62 0.00 -0.64 -4.79 120.51 112.13 2rml n ALA 123 Ca 0.17 -1.30 -0.05 0.00 0.00 0.00 0.00 53.44 52.26 2rml n ALA 123 Cb 0.54 1.05 0.01 0.00 0.00 0.00 0.00 19.45 21.05 2rml n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2rml s SER 124 N -2.81 -0.06 0.51 0.00 1.04 -1.26 -4.94 113.70 106.17 2rml s SER 124 Ca 0.22 -0.76 0.34 0.00 0.48 0.00 0.00 55.95 56.23 2rml s SER 124 Cb -0.02 0.63 1.66 0.00 0.10 0.00 0.00 66.02 68.39 2rml s SER 124 CO 0.16 -1.23 2.03 0.58 0.98 0.00 0.00 173.24 175.75 2rml h VAL 125 N 2.00 0.00 0.17 5.02 2.07 -2.00 -2.55 116.25 120.96 2rml h VAL 125 Ca -0.27 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2rml h VAL 125 Cb 1.23 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2rml h VAL 125 CO 0.34 0.00 -0.08 -1.28 0.02 0.00 0.00 177.57 176.57 2rml h SER 126 N 0.00 -0.19 -0.54 0.57 0.87 -1.99 -1.99 113.55 110.28 2rml h SER 126 Ca 0.00 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2rml h SER 126 Cb 0.22 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2rml h SER 126 CO 0.00 -0.07 0.33 0.44 -0.53 0.00 0.00 176.83 177.00 2rml h ASP 127 N -0.29 0.66 -0.05 6.23 5.19 -1.85 0.26 116.42 126.56 2rml h ASP 127 Ca -0.02 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2rml h ASP 127 Cb 0.23 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 2rml h ASP 127 CO 0.04 0.51 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.54 2rml h LEU 128 N 0.76 0.15 -0.56 1.55 3.38 -1.56 -1.91 115.31 117.12 2rml h LEU 128 Ca 0.20 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2rml h LEU 128 Cb -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2rml h LEU 128 CO -0.04 0.62 0.33 0.11 0.09 0.00 0.00 178.44 179.55 2rml h LYS 129 N -0.32 0.77 0.00 1.13 1.57 -0.76 -1.87 116.57 117.09 2rml h LYS 129 Ca 0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2rml h LYS 129 Cb 0.58 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2rml h LYS 129 CO 0.02 0.57 0.00 0.39 -0.57 0.00 0.00 179.45 179.86 2rml n GLU 130 N -4.63 0.45 -0.04 3.15 1.02 0.87 -0.22 120.64 121.23 2rml n GLU 130 Ca 0.03 0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 2rml n GLU 130 Cb 0.07 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.86 2rml n GLU 130 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rml h ALA 131 N 2.95 0.16 0.06 0.62 0.00 -0.54 -3.43 119.26 119.09 2rml h ALA 131 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 54.91 53.67 2rml h ALA 131 Cb 0.03 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2rml h ALA 131 CO 0.00 0.62 -1.08 0.28 0.00 0.00 0.00 179.25 179.07 2rml h VAL 132 N -0.64 1.53 0.00 0.00 2.07 -0.64 -3.33 116.25 115.24 2rml h VAL 132 Ca -0.25 -2.96 -0.04 0.00 0.82 0.00 0.00 66.70 64.27 2rml h VAL 132 Cb 1.48 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 34.00 2rml h VAL 132 CO -0.03 0.86 -0.20 -0.78 0.02 0.00 0.00 177.57 177.44 2rml h ASP 133 N 0.09 0.00 0.20 0.57 3.58 -0.79 -1.41 116.42 118.66 2rml h ASP 133 Ca -0.08 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2rml h ASP 133 Cb 1.78 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.83 2rml h ASP 133 CO 0.17 0.20 -0.11 0.50 -2.88 0.00 0.00 179.24 177.12 2rml h LYS 134 N 0.00 0.00 0.00 0.28 1.63 -1.80 -2.82 116.57 113.85 2rml h LYS 134 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2rml h LYS 134 Cb 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 2rml h LYS 134 CO 0.03 0.11 -1.44 1.28 -3.45 0.00 0.00 179.45 175.98 2rml n LEU 135 N -3.99 0.50 0.00 5.20 7.99 -0.57 -5.02 117.00 121.10 2rml n LEU 135 Ca -0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 56.01 55.78 2rml n LEU 135 Cb 0.20 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2rml n LEU 135 CO 0.32 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 2rml n GLY 136 N 1.37 1.08 0.00 -0.72 0.00 -0.94 -5.12 105.19 100.85 2rml n GLY 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.57 -3.01 -4.06 1.61 4.01 -1.21 -4.99 117.16 107.94 2rml n TYR 137 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2rml n TYR 137 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -1.99 0.57 -0.14 -0.72 0.00 -1.25 -4.29 119.74 111.91 2rml s LYS 138 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 55.97 54.84 2rml s LYS 138 Cb 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 37.83 38.00 2rml s LYS 138 CO 0.00 -0.11 -0.04 -0.51 0.00 0.00 0.00 175.35 174.70 2rml s LEU 139 N -2.65 3.28 -0.08 2.77 1.43 -1.26 -2.90 118.68 119.27 2rml s LEU 139 Ca 0.03 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2rml s LEU 139 Cb 0.05 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 2rml s LEU 139 CO -0.08 0.20 -0.05 -0.54 0.23 0.00 0.00 176.35 176.11 2rml s LYS 140 N 0.16 2.88 0.51 1.70 1.02 0.36 -4.98 119.74 121.38 2rml s LYS 140 Ca -0.01 -0.51 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 2rml s LYS 140 Cb -0.14 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.44 2rml s LYS 140 CO 0.03 0.64 1.04 -0.51 -0.92 0.00 0.00 175.35 175.62 2rml s LEU 141 N -0.72 3.75 -0.66 3.17 1.43 -1.26 -1.09 118.68 123.30 2rml s LEU 141 Ca 0.11 1.87 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 2rml s LEU 141 Cb -0.11 -4.55 0.17 0.00 0.03 0.00 0.00 46.19 41.73 2rml s LEU 141 CO 0.02 -0.85 0.49 -0.75 0.23 0.00 0.00 176.35 175.48 2rml s LYS 142 N -3.49 2.71 0.00 1.70 2.47 -1.23 -2.48 119.74 119.44 2rml s LYS 142 Ca 0.66 -2.55 0.00 0.00 -1.56 0.00 0.00 55.97 52.52 2rml s LYS 142 Cb -0.16 -3.82 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 2rml s LYS 142 CO 0.24 -1.19 0.00 0.41 0.16 0.00 0.00 175.35 174.97 2rml n GLY 143 N 3.51 2.80 0.93 5.54 0.00 -1.26 -4.87 105.19 111.83 2rml n GLY 143 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.92 1.95 0.00 1.61 1.02 -1.26 -4.88 120.64 117.15 2rml n GLU 144 Ca 0.00 -3.44 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 2rml n GLU 144 Cb 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 -0.99 0.00 0.09 3.49 7.27 -1.15 -4.69 117.38 121.40 2rml n GLN 145 Ca 0.23 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.28 2rml n GLN 145 Cb 0.76 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.36 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 -1.82 -3.48 116.42 114.62 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 0.73 0.00 -0.24 -1.61 0.00 0.00 179.24 178.12