#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rml h LEU 2 N 0.00 -1.16 0.00 -0.89 6.46 -2.11 -3.50 115.31 114.11 2rml h LEU 2 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2rml h LEU 2 Cb 0.00 0.33 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2rml h LEU 2 CO 0.00 -0.74 0.00 -1.20 -0.62 0.00 0.00 178.44 175.88 2rml n SER 3 N -5.45 0.00 -0.58 1.25 7.64 -1.26 -4.97 113.62 110.25 2rml n SER 3 Ca -0.15 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.73 2rml n SER 3 Cb 0.49 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2rml n SER 3 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2rml n GLU 4 N 0.00 0.00 -3.98 1.43 1.02 -1.26 -5.13 120.64 112.72 2rml n GLU 4 Ca 0.00 -0.70 -0.09 0.00 -0.02 0.00 0.00 57.16 56.35 2rml n GLU 4 Cb 0.00 -0.25 -0.11 0.00 -0.02 0.00 0.00 31.44 31.06 2rml n GLU 4 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2rml s GLN 5 N 0.00 0.31 0.05 3.49 -0.21 -1.26 -4.00 119.66 118.05 2rml s GLN 5 Ca 0.02 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.78 2rml s GLN 5 Cb 0.02 0.11 -0.04 0.00 1.00 0.00 0.00 33.01 34.11 2rml s GLN 5 CO -0.01 -0.05 -0.02 0.21 -2.12 0.00 0.00 175.29 173.30 2rml s LYS 6 N -1.46 0.62 0.03 2.91 2.20 -0.41 -4.98 119.74 118.66 2rml s LYS 6 Ca -0.16 -1.20 0.02 0.00 -0.36 0.00 0.00 55.97 54.26 2rml s LYS 6 Cb -0.10 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 2rml s LYS 6 CO -0.01 -0.12 0.06 -1.83 -0.36 0.00 0.00 175.35 173.09 2rml s GLU 7 N -3.90 2.91 0.05 4.03 -1.05 -1.26 -1.59 118.70 117.89 2rml s GLU 7 Ca 0.07 -0.61 -0.02 0.00 -0.15 0.00 0.00 54.97 54.26 2rml s GLU 7 Cb 0.08 -2.75 -0.04 0.00 -0.44 0.00 0.00 34.13 30.98 2rml s GLU 7 CO -0.10 0.60 -0.01 0.96 0.95 0.00 0.00 175.26 177.67 2rml s ILE 8 N -1.26 0.21 -0.09 1.83 -5.25 -0.69 -4.52 121.20 111.44 2rml s ILE 8 Ca 0.25 -1.75 -0.03 0.00 -0.99 0.00 0.00 60.65 58.13 2rml s ILE 8 Cb -0.12 -1.50 0.05 0.00 2.95 0.00 0.00 42.46 43.83 2rml s ILE 8 CO 0.17 -0.96 0.17 0.00 -1.79 0.00 0.00 174.94 172.52 2rml s ALA 9 N -3.91 -0.20 -0.05 2.27 0.00 -0.03 -0.75 121.76 119.09 2rml s ALA 9 Ca 0.07 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2rml s ALA 9 Cb 0.08 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2rml s ALA 9 CO -0.10 -0.52 -0.11 -1.64 0.00 0.00 0.00 175.76 173.39 2rml s MET 10 N 2.16 1.46 0.18 0.00 -1.94 0.42 -3.46 119.30 118.12 2rml s MET 10 Ca 0.01 -0.39 -0.30 0.00 -1.71 0.00 0.00 55.69 53.30 2rml s MET 10 Cb -0.12 -1.25 -0.09 0.00 2.01 0.00 0.00 34.83 35.38 2rml s MET 10 CO -0.06 0.07 1.36 -1.14 -0.01 0.00 0.00 175.02 175.24 2rml s GLN 11 N 0.49 4.34 -0.10 2.03 0.74 -1.26 -0.85 119.66 125.05 2rml s GLN 11 Ca -0.10 2.10 -0.03 0.00 0.05 0.00 0.00 55.36 57.38 2rml s GLN 11 Cb -0.13 -3.20 0.05 0.00 1.10 0.00 0.00 33.01 30.82 2rml s GLN 11 CO 0.02 -0.35 0.09 0.54 -0.55 0.00 0.00 175.29 175.05 2rml s VAL 12 N 0.47 -0.13 -0.19 1.34 0.11 0.27 -4.05 120.40 118.22 2rml s VAL 12 Ca 0.60 0.18 -0.10 0.00 -2.93 0.00 0.00 61.98 59.73 2rml s VAL 12 Cb -0.38 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 2rml s VAL 12 CO 0.36 -0.01 0.15 -0.55 -3.33 0.00 0.00 175.10 171.72 2rml s SER 13 N 2.18 6.25 0.00 3.54 0.15 0.18 -4.43 113.70 121.58 2rml s SER 13 Ca 0.04 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2rml s SER 13 Cb -0.14 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2rml s SER 13 CO -0.06 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2rml n GLY 14 N 3.41 1.27 0.44 9.45 0.00 -1.26 -1.40 105.19 117.11 2rml n GLY 14 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 1.10 -1.59 1.61 2.81 -1.26 -4.73 117.12 115.06 2rml n MET 15 Ca 0.00 -0.89 -0.42 0.00 -1.81 0.00 0.00 57.70 54.58 2rml n MET 15 Cb 0.00 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.17 2.83 -1.92 2.03 -1.04 -1.26 -3.68 114.28 111.07 2rml n THR 16 Ca 0.09 -2.53 -0.05 0.00 -2.04 0.00 0.00 64.05 59.52 2rml n THR 16 Cb 0.45 -2.47 -0.04 0.00 -1.82 0.00 0.00 70.33 66.45 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 -0.08 0.00 0.30 0.00 0.00 -1.24 -3.96 120.51 115.54 2rml n ALA 18 Ca -0.20 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.38 2rml n ALA 18 Cb 0.59 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.67 2rml n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rml h ALA 19 N -0.09 1.00 -0.97 0.00 0.00 -1.99 -2.68 119.26 114.53 2rml h ALA 19 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2rml h ALA 19 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 2rml h ALA 19 CO 0.00 0.00 0.59 0.00 0.00 0.00 0.00 179.25 179.84 2rml h ALA 21 N 1.57 -1.03 -0.51 0.00 0.00 -1.74 -2.33 119.26 115.22 2rml h ALA 21 Ca 0.51 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.32 2rml h ALA 21 Cb 0.62 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2rml h ALA 21 CO -0.31 -1.10 0.34 0.00 0.00 0.00 0.00 179.25 178.18 2rml h ALA 22 N -0.72 2.07 -0.27 0.00 0.00 -1.54 -0.65 119.26 118.15 2rml h ALA 22 Ca -0.07 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2rml h ALA 22 Cb 0.82 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2rml h ALA 22 CO 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 179.25 179.03 2rml h ARG 23 N 0.31 0.51 -0.16 0.00 2.47 -0.64 -1.15 114.38 115.71 2rml h ARG 23 Ca 0.23 -0.20 -0.09 0.00 -1.26 0.00 0.00 59.98 58.66 2rml h ARG 23 Cb 0.51 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2rml h ARG 23 CO -0.05 0.72 -0.27 0.82 0.56 0.00 0.00 179.97 181.75 2rml h ILE 24 N 0.27 1.35 0.37 2.04 1.08 -0.84 -2.61 117.51 119.17 2rml h ILE 24 Ca 0.07 -1.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.02 2rml h ILE 24 Cb 0.53 1.93 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 2rml h ILE 24 CO 0.03 0.45 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.42 2rml h GLU 25 N 0.10 -0.49 0.00 2.37 5.08 -1.20 -0.23 114.58 120.21 2rml h GLU 25 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2rml h GLU 25 Cb 0.85 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2rml h GLU 25 CO 0.06 -0.33 0.00 1.57 -1.00 0.00 0.00 179.01 179.31 2rml h LYS 26 N -0.51 0.00 0.19 2.33 2.10 -1.31 -0.50 116.57 118.86 2rml h LYS 26 Ca -0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2rml h LYS 26 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2rml h LYS 26 CO 0.08 0.00 -0.09 0.78 -2.00 0.00 0.00 179.45 178.22 2rml h GLY 27 N 1.25 -0.26 1.29 0.07 0.00 -1.04 -3.33 103.07 101.04 2rml h GLY 27 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.26 2rml h GLY 27 CO 0.00 -0.10 -0.48 1.41 0.00 0.00 0.00 176.54 177.37 2rml h LEU 28 N -1.06 0.83 -0.98 3.11 3.38 -0.88 -2.88 115.31 116.83 2rml h LEU 28 Ca -0.03 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2rml h LEU 28 Cb 0.19 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2rml h LEU 28 CO 0.04 1.17 0.00 1.17 0.09 0.00 0.00 178.44 180.92 2rml n LYS 29 N -4.01 0.15 -3.67 1.13 4.81 -0.21 -3.97 118.16 112.39 2rml n LYS 29 Ca -0.03 0.52 -0.38 0.00 -0.87 0.00 0.00 58.31 57.56 2rml n LYS 29 Cb 0.58 -1.88 -0.08 0.00 0.02 0.00 0.00 35.03 33.67 2rml n LYS 29 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2rml s ARG 30 N -3.40 2.75 0.19 1.64 0.52 -1.09 -4.92 118.95 114.64 2rml s ARG 30 Ca 0.01 -2.60 -0.23 0.00 -0.52 0.00 0.00 55.73 52.39 2rml s ARG 30 Cb 0.07 -3.83 0.05 0.00 0.52 0.00 0.00 34.95 31.77 2rml s ARG 30 CO 0.27 -1.20 0.70 -1.64 0.02 0.00 0.00 175.30 173.46 2rml s MET 31 N -0.17 1.42 -0.08 3.54 -1.94 -1.25 -4.91 119.30 115.91 2rml s MET 31 Ca 0.18 -0.66 -0.23 0.00 -1.71 0.00 0.00 55.69 53.27 2rml s MET 31 Cb -0.18 0.56 -0.19 0.00 2.01 0.00 0.00 34.83 37.03 2rml s MET 31 CO -0.05 -0.64 0.85 -1.00 -0.01 0.00 0.00 175.02 174.18 2rml h PRO 32 N 2.00 -0.07 0.00 2.03 0.13 -1.93 -3.42 132.00 130.75 2rml h PRO 32 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2rml h PRO 32 Cb 1.28 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2rml h PRO 32 CO 0.31 0.55 -0.72 0.41 -0.23 0.00 0.00 178.00 178.32 2rml n GLY 33 N 0.99 -0.36 3.67 1.56 0.00 -1.21 -4.90 105.19 104.93 2rml n GLY 33 Ca -0.08 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.38 4.49 -0.04 1.61 1.01 -1.26 -0.49 120.40 123.34 2rml s VAL 34 Ca 0.05 1.80 0.08 0.00 0.00 0.00 0.00 61.98 63.90 2rml s VAL 34 Cb 0.11 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 2rml s VAL 34 CO 0.59 -0.11 0.66 0.00 0.00 0.00 0.00 175.10 176.24 2rml h THR 35 N 5.35 0.88 -2.30 3.92 1.03 -1.27 -3.43 112.91 117.09 2rml h THR 35 Ca -0.25 -2.69 0.16 0.00 -0.01 0.00 0.00 66.41 63.61 2rml h THR 35 Cb 1.10 2.49 -0.11 0.00 -1.07 0.00 0.00 68.15 70.56 2rml h THR 35 CO 0.95 0.61 0.49 -0.62 -0.01 0.00 0.00 175.52 176.94 2rml s ASP 36 N -6.36 -0.24 -0.18 0.00 -1.08 -0.69 -5.00 116.67 103.11 2rml s ASP 36 Ca -0.08 -0.25 -0.20 0.00 -0.52 0.00 0.00 52.55 51.50 2rml s ASP 36 Cb 0.08 0.44 0.05 0.00 -1.46 0.00 0.00 42.92 42.03 2rml s ASP 36 CO 0.82 -0.79 0.55 0.00 0.52 0.00 0.00 175.17 176.27 2rml s ALA 37 N -3.21 -1.36 0.33 3.66 0.00 -1.26 -0.77 121.76 119.16 2rml s ALA 37 Ca 0.10 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.62 2rml s ALA 37 Cb -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2rml s ALA 37 CO -0.02 -0.27 -0.10 -0.80 0.00 0.00 0.00 175.76 174.57 2rml s ASN 38 N 0.10 3.61 -0.15 0.00 0.01 -0.01 -4.77 114.94 113.74 2rml s ASN 38 Ca -0.02 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 50.95 2rml s ASN 38 Cb -0.04 -0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.32 2rml s ASN 38 CO 0.02 -0.20 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.59 2rml s VAL 39 N -2.65 1.44 -0.92 1.60 1.01 -1.26 -1.40 120.40 118.22 2rml s VAL 39 Ca 0.32 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2rml s VAL 39 Cb 0.02 -1.40 0.07 0.00 0.00 0.00 0.00 36.38 35.08 2rml s VAL 39 CO 0.16 0.40 1.29 0.21 0.00 0.00 0.00 175.10 177.16 2rml s ASN 40 N 1.53 6.46 0.27 3.32 2.47 0.12 -4.89 114.94 124.22 2rml s ASN 40 Ca 0.04 -1.44 -0.01 0.00 0.42 0.00 0.00 52.86 51.88 2rml s ASN 40 Cb -0.13 -2.51 0.37 0.00 -1.45 0.00 0.00 41.25 37.53 2rml s ASN 40 CO -0.10 -1.43 1.78 0.25 -3.72 0.00 0.00 177.10 173.88 2rml h LEU 41 N 12.03 0.73 0.00 3.21 6.46 -1.94 -0.56 115.31 135.24 2rml h LEU 41 Ca 0.08 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2rml h LEU 41 Cb 1.03 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.76 2rml h LEU 41 CO 1.30 0.79 0.00 0.00 -0.62 0.00 0.00 178.44 179.91 2rml n ALA 42 N -2.47 1.84 -2.20 1.25 0.00 -1.26 -1.53 120.51 116.14 2rml n ALA 42 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2rml n ALA 42 Cb 0.29 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.03 0.00 -3.90 0.00 -1.04 -1.04 -5.05 114.28 102.21 2rml n THR 43 Ca 0.07 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.05 61.38 2rml n THR 43 Cb 0.04 0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 69.14 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 0.20 -2.38 -4.03 -2.82 2.13 -0.34 -4.91 120.64 108.49 2rml n GLU 44 Ca -0.03 0.27 -0.31 0.00 0.66 0.00 0.00 57.16 57.75 2rml n GLU 44 Cb 0.85 -4.92 -0.16 0.00 0.27 0.00 0.00 31.44 27.48 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 -3.02 1.66 0.24 6.31 2.01 -0.47 -0.56 115.64 121.82 2rml s THR 45 Ca 0.60 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 2rml s THR 45 Cb -0.34 -1.59 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 2rml s THR 45 CO 0.74 0.40 0.68 -0.55 -0.69 0.00 0.00 174.62 175.20 2rml s SER 46 N 1.44 6.88 -0.08 3.53 0.15 -0.03 -0.70 113.70 124.88 2rml s SER 46 Ca 0.04 1.26 -0.04 0.00 0.70 0.00 0.00 55.95 57.91 2rml s SER 46 Cb -0.14 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2rml s SER 46 CO -0.10 -0.04 0.19 0.54 1.20 0.00 0.00 173.24 175.02 2rml s ASN 47 N -1.93 -0.08 -0.02 5.45 2.20 -0.49 -0.44 114.94 119.63 2rml s ASN 47 Ca 0.46 0.39 0.02 0.00 -0.94 0.00 0.00 52.86 52.79 2rml s ASN 47 Cb -0.14 0.29 0.00 0.00 -2.00 0.00 0.00 41.25 39.40 2rml s ASN 47 CO 0.19 -0.17 -0.07 -0.69 -2.94 0.00 0.00 177.10 173.43 2rml s VAL 48 N 1.33 0.62 -0.14 3.54 1.01 0.08 -0.83 120.40 126.01 2rml s VAL 48 Ca -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2rml s VAL 48 Cb -0.11 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.73 2rml s VAL 48 CO -0.07 0.20 -0.17 -0.63 0.00 0.00 0.00 175.10 174.43 2rml s ILE 49 N 0.12 1.71 0.10 2.22 1.09 0.05 -1.70 121.20 124.80 2rml s ILE 49 Ca -0.01 -0.74 -0.07 0.00 -1.10 0.00 0.00 60.65 58.72 2rml s ILE 49 Cb -0.07 -1.57 -0.01 0.00 -1.06 0.00 0.00 42.46 39.76 2rml s ILE 49 CO -0.00 0.48 0.18 -0.72 -0.10 0.00 0.00 174.94 174.78 2rml s TYR 50 N 1.24 0.29 -0.19 3.97 1.13 -0.62 -0.74 117.35 122.42 2rml s TYR 50 Ca 0.00 -0.71 -0.12 0.00 -1.41 0.00 0.00 57.07 54.83 2rml s TYR 50 Cb -0.14 -0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.55 2rml s TYR 50 CO -0.08 -0.56 0.22 0.34 -2.51 0.00 0.00 175.55 172.96 2rml s ASP 51 N -2.90 6.29 0.00 -0.18 -1.08 0.36 -1.28 116.67 117.88 2rml s ASP 51 Ca 0.09 0.33 0.30 0.00 -0.52 0.00 0.00 52.55 52.75 2rml s ASP 51 Cb 0.05 -2.14 1.71 0.00 -1.46 0.00 0.00 42.92 41.08 2rml s ASP 51 CO -0.08 0.11 2.11 -0.81 0.52 0.00 0.00 175.17 177.02 2rml n PRO 52 N 3.75 0.79 0.03 4.34 -0.04 -1.26 -3.33 135.00 139.28 2rml n PRO 52 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 2rml n PRO 52 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2rml n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rml h ALA 53 N 3.74 -0.20 -0.50 0.55 0.00 -1.95 -3.41 119.26 117.50 2rml h ALA 53 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rml h ALA 53 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rml h ALA 53 CO 0.00 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.45 2rml n GLU 54 N -4.10 3.57 -3.62 0.00 -0.58 -1.24 -4.79 120.64 109.87 2rml n GLU 54 Ca -0.02 -2.39 -0.04 0.00 -0.42 0.00 0.00 57.16 54.29 2rml n GLU 54 Cb 0.06 -1.91 -0.06 0.00 -0.57 0.00 0.00 31.44 28.96 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 -2.03 -0.85 0.21 2.62 2.01 -1.21 -3.30 115.64 113.09 2rml s THR 55 Ca 0.42 0.07 -0.14 0.00 0.31 0.00 0.00 61.69 62.35 2rml s THR 55 Cb 0.29 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.87 2rml s THR 55 CO 0.17 0.02 0.60 -0.83 -0.69 0.00 0.00 174.62 173.90 2rml s GLY 56 N 2.77 2.41 0.27 4.40 0.00 -1.26 -4.47 107.32 111.44 2rml s GLY 56 Ca -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.59 2rml s GLY 56 CO -0.17 0.13 1.76 0.00 0.00 0.00 0.00 173.10 174.82 2rml h THR 57 N 2.42 0.69 0.00 0.90 1.03 -1.97 -0.82 112.91 115.16 2rml h THR 57 Ca -0.48 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.71 2rml h THR 57 Cb 1.18 0.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.28 2rml h THR 57 CO 0.67 0.11 0.00 0.00 -0.01 0.00 0.00 175.52 176.29 2rml h ALA 58 N 1.59 1.00 -0.02 0.00 0.00 -1.95 -1.56 119.26 118.32 2rml h ALA 58 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2rml h ALA 58 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2rml h ALA 58 CO -0.39 0.00 0.03 0.00 0.00 0.00 0.00 179.25 178.89 2rml h ALA 59 N 2.01 1.39 0.24 0.00 0.00 -1.55 -0.91 119.26 120.44 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2rml h ALA 59 CO 0.00 -0.03 -0.12 0.82 0.00 0.00 0.00 179.25 179.92 2rml h ILE 60 N 0.00 0.78 -0.45 0.00 2.04 -1.47 -2.38 117.51 116.03 2rml h ILE 60 Ca 0.01 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 64.97 2rml h ILE 60 Cb 0.06 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2rml h ILE 60 CO -0.00 0.15 -0.20 0.06 0.00 0.00 0.00 178.15 178.16 2rml h GLN 61 N -0.76 0.89 0.00 2.37 3.07 -1.65 0.87 115.11 119.90 2rml h GLN 61 Ca -0.03 -0.36 0.00 0.00 0.09 0.00 0.00 58.65 58.34 2rml h GLN 61 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.02 2rml h GLN 61 CO 0.05 1.01 0.00 1.49 0.09 0.00 0.00 178.83 181.48 2rml h GLU 62 N 0.78 0.00 0.00 0.06 4.57 -1.26 -1.24 114.58 117.49 2rml h GLU 62 Ca 0.11 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.01 2rml h GLU 62 Cb 0.75 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 2rml h GLU 62 CO 0.06 0.00 -2.06 1.17 -1.18 0.00 0.00 179.01 177.00 2rml n LYS 63 N -2.34 1.26 0.14 1.92 4.81 -0.90 -4.53 118.16 118.52 2rml n LYS 63 Ca 0.01 0.02 -0.10 0.00 -0.87 0.00 0.00 58.31 57.37 2rml n LYS 63 Cb 0.19 -1.39 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2rml n LYS 63 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2rml h ILE 64 N 0.00 0.42 0.00 3.15 2.04 -0.65 -3.33 117.51 119.15 2rml h ILE 64 Ca -0.42 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 2rml h ILE 64 Cb 1.87 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2rml h ILE 64 CO 0.00 0.10 -0.01 -0.33 0.00 0.00 0.00 178.15 177.92 2rml h GLU 65 N -0.99 0.00 -0.08 2.37 4.39 -1.40 -1.13 114.58 117.74 2rml h GLU 65 Ca -0.04 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.68 2rml h GLU 65 Cb 0.48 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2rml h GLU 65 CO 0.07 0.01 0.19 0.87 -1.16 0.00 0.00 179.01 178.98 2rml h LYS 66 N 0.00 0.00 0.00 2.33 1.79 -1.75 -2.79 116.57 116.15 2rml h LYS 66 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2rml h LYS 66 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2rml h LYS 66 CO 0.00 0.00 -0.74 -0.07 -1.08 0.00 0.00 179.45 177.56 2rml h LEU 67 N 0.00 0.00 0.00 2.94 -0.00 -1.38 -3.48 115.31 113.39 2rml h LEU 67 Ca 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2rml h LEU 67 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2rml h LEU 67 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 2rml n GLY 68 N 1.17 0.82 3.65 0.83 0.00 -1.05 -5.08 105.19 105.52 2rml n GLY 68 Ca 0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2rml n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rml s TYR 69 N -2.00 3.26 -0.08 1.61 2.02 -1.26 -4.90 117.35 116.01 2rml s TYR 69 Ca 0.00 0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 2rml s TYR 69 Cb 0.00 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2rml s TYR 69 CO 0.00 0.18 -0.22 -1.01 -1.57 0.00 0.00 175.55 172.93 2rml s HIS 70 N 0.29 2.54 0.00 2.71 3.76 -0.50 -4.21 115.29 119.89 2rml s HIS 70 Ca 0.04 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2rml s HIS 70 Cb -0.12 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2rml s HIS 70 CO 0.00 -0.23 1.11 0.28 -0.85 0.00 0.00 174.74 175.06 2rml n VAL 71 N 3.10 1.11 -3.65 -0.90 0.31 -1.26 -0.65 118.33 116.39 2rml n VAL 71 Ca -0.18 -0.07 -0.20 0.00 -0.01 0.00 0.00 64.34 63.89 2rml n VAL 71 Cb 0.52 -1.06 0.01 0.00 -0.91 0.00 0.00 33.84 32.40 2rml n VAL 71 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2rml n VAL 72 N 0.64 -1.41 -3.33 2.52 0.24 -1.26 -4.41 118.33 111.33 2rml n VAL 72 Ca 0.00 -0.19 -0.37 0.00 -2.04 0.00 0.00 64.34 61.74 2rml n VAL 72 Cb 0.49 -1.22 -0.06 0.00 -1.47 0.00 0.00 33.84 31.58 2rml n VAL 72 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2rml s THR 73 N -3.64 4.81 -0.01 3.34 -4.23 -1.26 -4.19 115.64 110.46 2rml s THR 73 Ca 0.16 0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 61.61 2rml s THR 73 Cb -0.09 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2rml s THR 73 CO 0.48 0.38 0.11 -0.70 -0.54 0.00 0.00 174.62 174.34 2rml s GLU 74 N -1.59 0.36 -0.87 3.99 2.12 -0.48 -5.00 118.70 117.24 2rml s GLU 74 Ca 0.34 -0.27 -0.12 0.00 0.36 0.00 0.00 54.97 55.27 2rml s GLU 74 Cb -0.17 0.15 0.23 0.00 0.26 0.00 0.00 34.13 34.60 2rml s GLU 74 CO 0.19 -0.08 0.81 -1.59 -0.54 0.00 0.00 175.26 174.05 2rml s LYS 75 N -0.99 3.65 0.08 4.30 -2.85 -1.26 -1.64 119.74 121.04 2rml s LYS 75 Ca -0.11 -2.61 -0.26 0.00 -1.00 0.00 0.00 55.97 52.00 2rml s LYS 75 Cb -0.06 -4.41 -0.06 0.00 -2.06 0.00 0.00 37.83 31.24 2rml s LYS 75 CO 0.01 -1.28 0.79 0.00 0.10 0.00 0.00 175.35 174.97 2rml s ALA 76 N -0.12 3.37 -0.20 0.59 0.00 0.05 -4.74 121.76 120.71 2rml s ALA 76 Ca 0.20 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 2rml s ALA 76 Cb -0.11 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2rml s ALA 76 CO -0.09 0.11 0.04 -1.21 0.00 0.00 0.00 175.76 174.62 2rml s GLU 77 N -0.32 3.81 0.07 0.00 2.02 -1.26 -0.40 118.70 122.62 2rml s GLU 77 Ca 0.39 -0.42 0.09 0.00 0.02 0.00 0.00 54.97 55.04 2rml s GLU 77 Cb -0.21 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 2rml s GLU 77 CO 0.25 0.12 -0.22 -0.06 0.02 0.00 0.00 175.26 175.37 2rml s PHE 78 N 0.75 2.45 -0.23 1.61 0.40 -0.61 -2.83 117.98 119.52 2rml s PHE 78 Ca 0.02 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 2rml s PHE 78 Cb -0.14 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 2rml s PHE 78 CO 0.02 0.25 0.20 0.34 0.70 0.00 0.00 175.22 176.74 2rml s ASP 79 N -1.60 6.17 -1.34 1.36 -1.08 0.39 -0.53 116.67 120.04 2rml s ASP 79 Ca 0.14 0.18 -0.07 0.00 -0.52 0.00 0.00 52.55 52.29 2rml s ASP 79 Cb -0.10 -2.13 0.04 0.00 -1.46 0.00 0.00 42.92 39.27 2rml s ASP 79 CO 0.05 0.04 2.62 -0.38 0.52 0.00 0.00 175.17 178.02 2rml n ILE 80 N 4.31 4.81 -1.99 4.11 2.08 0.19 -1.55 119.36 131.33 2rml n ILE 80 Ca -0.14 -3.65 -0.28 0.00 0.56 0.00 0.00 62.75 59.25 2rml n ILE 80 Cb 0.52 -2.22 -0.05 0.00 -0.75 0.00 0.00 39.64 37.14 2rml n ILE 80 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2rml s GLU 81 N -0.10 2.47 0.00 0.38 2.12 -1.13 -1.11 118.70 121.33 2rml s GLU 81 Ca 0.60 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.92 2rml s GLU 81 Cb 0.20 -4.90 0.00 0.00 0.26 0.00 0.00 34.13 29.69 2rml s GLU 81 CO -0.09 -3.35 0.00 0.41 -0.54 0.00 0.00 175.26 171.69 2rml n GLY 82 N 6.61 0.60 3.80 -1.50 0.00 -1.26 -4.18 105.19 109.25 2rml n GLY 82 Ca 0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 2.64 0.00 1.61 0.23 -0.27 -5.01 119.30 118.50 2rml s MET 83 Ca 0.00 1.05 0.00 0.00 -1.03 0.00 0.00 55.69 55.71 2rml s MET 83 Cb 0.00 -1.95 0.00 0.00 -1.53 0.00 0.00 34.83 31.35 2rml s MET 83 CO 0.00 -1.34 0.00 0.25 -2.03 0.00 0.00 175.02 171.90 2rml n THR 84 N -3.30 0.00 -3.46 3.16 -2.24 -1.26 -5.00 114.28 102.19 2rml n THR 84 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 2rml n THR 84 Cb 0.53 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 2.00 2.36 -0.85 0.00 0.00 -1.94 0.72 119.26 121.55 2rml h ALA 86 Ca -0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2rml h ALA 86 Cb 1.29 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2rml h ALA 86 CO 0.36 -0.59 0.43 0.00 0.00 0.00 0.00 179.25 179.44 2rml h ALA 87 N 1.64 1.14 -0.26 0.00 0.00 -1.97 0.36 119.26 120.18 2rml h ALA 87 Ca 0.38 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2rml h ALA 87 Cb 1.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2rml h ALA 87 CO -0.09 0.66 -0.53 0.00 0.00 0.00 0.00 179.25 179.30 2rml h ALA 89 N 0.83 -1.19 -0.07 0.00 0.00 -1.36 -3.23 119.26 114.24 2rml h ALA 89 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2rml h ALA 89 Cb 1.10 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2rml h ALA 89 CO 0.11 -1.11 -0.07 -0.97 0.00 0.00 0.00 179.25 177.21 2rml h ASN 90 N -1.30 0.10 -0.37 0.00 -0.73 -0.95 0.37 115.58 112.69 2rml h ASN 90 Ca -0.12 -0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.11 2rml h ASN 90 Cb 0.91 -0.02 -0.06 0.00 0.27 0.00 0.00 38.32 39.42 2rml h ASN 90 CO 0.20 0.18 -0.02 0.03 -0.37 0.00 0.00 177.43 177.45 2rml h ARG 91 N 0.10 0.08 0.05 6.67 3.08 -1.43 -1.77 114.38 121.17 2rml h ARG 91 Ca 0.02 -0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.84 2rml h ARG 91 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2rml h ARG 91 CO 0.01 0.05 -1.08 -0.84 -1.07 0.00 0.00 179.97 177.04 2rml h ILE 92 N 0.08 1.61 -0.67 2.04 3.07 -1.30 -3.32 117.51 119.02 2rml h ILE 92 Ca 0.18 -3.21 0.10 0.00 1.55 0.00 0.00 64.86 63.48 2rml h ILE 92 Cb 0.26 2.85 -0.07 0.00 -0.27 0.00 0.00 36.82 39.59 2rml h ILE 92 CO -0.32 0.93 0.30 -0.08 -1.05 0.00 0.00 178.15 177.93 2rml h GLU 93 N 0.04 0.49 0.00 0.16 4.81 -0.75 0.05 114.58 119.38 2rml h GLU 93 Ca -0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2rml h GLU 93 Cb 1.82 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.09 2rml h GLU 93 CO 0.16 0.32 0.26 0.87 -0.73 0.00 0.00 179.01 179.89 2rml h LYS 94 N 0.50 0.00 0.00 1.92 1.57 -1.42 0.11 116.57 119.26 2rml h LYS 94 Ca 0.34 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.08 2rml h LYS 94 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2rml h LYS 94 CO -0.30 0.00 -0.86 -2.13 -0.57 0.00 0.00 179.45 175.59 2rml n ARG 95 N -2.84 0.50 -0.30 3.15 0.63 -0.47 -4.73 116.66 112.60 2rml n ARG 95 Ca -0.02 0.40 0.13 0.00 -0.92 0.00 0.00 57.85 57.43 2rml n ARG 95 Cb 0.30 -1.59 0.30 0.00 0.45 0.00 0.00 32.46 31.92 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 -1.00 0.28 -1.00 6.15 -0.00 -0.26 -3.04 115.31 116.44 2rml h LEU 96 Ca -0.06 0.16 0.37 0.00 -0.00 0.00 0.00 57.88 58.35 2rml h LEU 96 Cb 0.81 0.15 -0.17 0.00 -0.00 0.00 0.00 40.66 41.45 2rml h LEU 96 CO -0.04 -0.02 0.51 -1.13 -0.00 0.00 0.00 178.44 177.77 2rml h ASN 97 N 0.37 0.34 -0.58 -0.43 -0.73 -0.93 -3.12 115.58 110.50 2rml h ASN 97 Ca 0.55 0.24 -0.30 0.00 1.87 0.00 0.00 56.30 58.65 2rml h ASN 97 Cb 1.04 0.24 -0.26 0.00 0.27 0.00 0.00 38.32 39.60 2rml h ASN 97 CO -0.54 -0.33 -0.75 0.29 -0.37 0.00 0.00 177.43 175.74 2rml n LYS 98 N -5.20 1.12 -1.69 6.67 5.02 -1.16 -2.79 118.16 120.13 2rml n LYS 98 Ca 0.35 -2.50 -0.22 0.00 -2.02 0.00 0.00 58.31 53.92 2rml n LYS 98 Cb 1.15 -0.80 -0.10 0.00 -0.02 0.00 0.00 35.03 35.26 2rml n LYS 98 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2rml n ILE 99 N -0.16 0.78 -1.24 -0.18 5.41 -1.18 -4.58 119.36 118.22 2rml n ILE 99 Ca 0.06 -0.80 -0.08 0.00 1.00 0.00 0.00 62.75 62.92 2rml n ILE 99 Cb 0.79 -2.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.61 2rml n ILE 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2rml n GLU 100 N 8.14 -0.78 0.00 0.38 4.71 -1.26 -0.28 120.64 131.55 2rml n GLU 100 Ca 0.43 0.73 0.00 0.00 -0.01 0.00 0.00 57.16 58.31 2rml n GLU 100 Cb 0.46 -4.63 0.00 0.00 -1.01 0.00 0.00 31.44 26.26 2rml n GLU 100 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rml n GLY 101 N -1.55 0.75 3.71 0.62 0.00 -1.22 -0.85 105.19 106.64 2rml n GLY 101 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2rml n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rml s VAL 102 N 0.00 2.80 -0.19 1.61 1.01 0.62 -3.96 120.40 122.29 2rml s VAL 102 Ca 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 2rml s VAL 102 Cb 0.00 -3.30 -0.21 0.00 0.00 0.00 0.00 36.38 32.87 2rml s VAL 102 CO 0.00 0.02 0.34 0.00 0.00 0.00 0.00 175.10 175.46 2rml h ALA 103 N 7.42 0.21 -3.20 5.51 0.00 -1.49 -3.39 119.26 124.32 2rml h ALA 103 Ca -0.43 -1.07 -0.18 0.00 0.00 0.00 0.00 54.91 53.24 2rml h ALA 103 Cb 1.20 0.59 -0.25 0.00 0.00 0.00 0.00 17.79 19.33 2rml h ALA 103 CO 0.92 0.57 -0.56 -0.80 0.00 0.00 0.00 179.25 179.38 2rml s ASN 104 N -6.73 -0.05 -0.29 0.00 0.01 -0.66 -4.72 114.94 102.50 2rml s ASN 104 Ca -0.27 0.06 -0.01 0.00 -0.71 0.00 0.00 52.86 51.94 2rml s ASN 104 Cb 0.04 0.23 0.18 0.00 0.41 0.00 0.00 41.25 42.11 2rml s ASN 104 CO 0.62 -0.16 0.56 0.00 -1.51 0.00 0.00 177.10 176.61 2rml s ALA 105 N -0.48 -2.04 -0.01 0.60 0.00 -1.12 -0.58 121.76 118.13 2rml s ALA 105 Ca -0.06 1.59 -0.18 0.00 0.00 0.00 0.00 51.96 53.31 2rml s ALA 105 Cb -0.04 -2.11 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 2rml s ALA 105 CO 0.00 -1.36 0.52 -1.25 0.00 0.00 0.00 175.76 173.67 2rml s PRO 106 N 2.79 4.20 -0.22 0.00 0.04 -1.25 -3.96 135.00 136.61 2rml s PRO 106 Ca 0.18 0.59 -0.10 0.00 0.04 0.00 0.00 61.00 61.72 2rml s PRO 106 Cb -0.15 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2rml s PRO 106 CO -0.21 0.45 0.13 0.08 0.04 0.00 0.00 177.00 177.50 2rml s VAL 107 N -0.41 5.19 0.27 -0.36 1.01 -1.26 -3.05 120.40 121.78 2rml s VAL 107 Ca 0.28 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 2rml s VAL 107 Cb -0.17 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 2rml s VAL 107 CO 0.15 0.38 1.23 0.21 0.00 0.00 0.00 175.10 177.07 2rml s ASN 108 N 0.85 7.00 0.20 3.32 3.84 0.64 -4.82 114.94 125.97 2rml s ASN 108 Ca 0.07 2.43 0.23 0.00 0.21 0.00 0.00 52.86 55.79 2rml s ASN 108 Cb -0.13 -2.63 0.03 0.00 -0.55 0.00 0.00 41.25 37.97 2rml s ASN 108 CO 0.03 -0.39 1.07 2.19 -2.79 0.00 0.00 177.10 177.21 2rml h PHE 109 N 4.22 0.00 0.00 0.43 -5.15 -1.94 -3.31 116.94 111.20 2rml h PHE 109 Ca -0.47 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.29 2rml h PHE 109 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.39 2rml h PHE 109 CO 0.59 0.00 -1.04 0.00 -2.00 0.00 0.00 178.31 175.86 2rml n ALA 110 N -2.15 2.17 0.22 12.09 0.00 -1.26 -4.28 120.51 127.31 2rml n ALA 110 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2rml n ALA 110 Cb 0.54 0.49 0.44 0.00 0.00 0.00 0.00 19.45 20.91 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 -1.74 0.00 -0.00 -2.01 -3.48 115.31 108.07 2rml h LEU 111 Ca -0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.61 2rml h LEU 111 Cb 1.02 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.81 2rml h LEU 111 CO -0.00 0.19 -0.60 -0.62 -0.00 0.00 0.00 178.44 177.41 2rml n GLU 112 N -3.30 -5.07 -4.47 1.13 1.02 -1.25 -4.91 120.64 103.79 2rml n GLU 112 Ca 0.01 0.66 -0.23 0.00 -0.02 0.00 0.00 57.16 57.58 2rml n GLU 112 Cb 0.44 -5.11 -0.09 0.00 -0.02 0.00 0.00 31.44 26.66 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 -3.28 0.88 -0.01 2.62 -4.23 -1.26 -0.64 115.64 109.72 2rml s THR 113 Ca 0.01 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2rml s THR 113 Cb -0.00 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.27 2rml s THR 113 CO 0.57 0.00 0.04 0.54 -0.54 0.00 0.00 174.62 175.22 2rml s VAL 114 N -3.30 -0.01 -0.47 2.29 0.11 0.31 -0.26 120.40 119.08 2rml s VAL 114 Ca 0.31 0.03 -0.16 0.00 -2.93 0.00 0.00 61.98 59.23 2rml s VAL 114 Cb 0.06 -0.06 0.07 0.00 -1.53 0.00 0.00 36.38 34.91 2rml s VAL 114 CO 0.15 0.01 0.41 -0.89 -3.33 0.00 0.00 175.10 171.45 2rml s THR 115 N 0.18 5.20 -0.42 5.04 2.01 -1.17 -1.57 115.64 124.91 2rml s THR 115 Ca -0.01 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.91 2rml s THR 115 Cb -0.02 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.42 2rml s THR 115 CO -0.01 -0.57 0.28 -0.69 -0.69 0.00 0.00 174.62 172.95 2rml s VAL 116 N 1.75 4.79 -0.40 3.82 1.01 0.46 -3.92 120.40 127.90 2rml s VAL 116 Ca 0.05 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 2rml s VAL 116 Cb -0.23 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2rml s VAL 116 CO 0.08 -0.40 0.44 -0.70 0.00 0.00 0.00 175.10 174.52 2rml s GLU 117 N 1.57 3.22 0.17 2.72 2.12 0.25 -0.77 118.70 127.97 2rml s GLU 117 Ca 0.03 -0.64 -0.09 0.00 0.36 0.00 0.00 54.97 54.63 2rml s GLU 117 Cb -0.21 -3.93 0.04 0.00 0.26 0.00 0.00 34.13 30.28 2rml s GLU 117 CO 0.06 -0.80 0.48 2.48 -0.54 0.00 0.00 175.26 176.95 2rml n TYR 118 N 5.62 -1.46 -3.34 5.30 4.11 -0.65 -1.39 117.16 125.35 2rml n TYR 118 Ca -0.07 -0.89 -0.44 0.00 -0.00 0.00 0.00 57.90 56.50 2rml n TYR 118 Cb 0.48 0.44 -0.07 0.00 -0.00 0.00 0.00 39.34 40.19 2rml n TYR 118 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2rml s ASN 119 N -2.20 6.16 0.00 9.48 2.20 -1.25 -1.38 114.94 127.95 2rml s ASN 119 Ca 0.10 -1.31 0.18 0.00 -0.94 0.00 0.00 52.86 50.90 2rml s ASN 119 Cb -0.02 -2.21 0.91 0.00 -2.00 0.00 0.00 41.25 37.94 2rml s ASN 119 CO 0.05 -0.72 1.54 -0.81 -2.94 0.00 0.00 177.10 174.23 2rml n PRO 120 N 5.39 0.26 0.05 3.55 -0.04 -1.26 -3.62 135.00 139.33 2rml n PRO 120 Ca -0.12 0.11 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2rml n PRO 120 Cb 0.44 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.81 2rml n PRO 120 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2rml h LYS 121 N 0.00 0.42 0.02 0.54 3.11 -1.94 -3.29 116.57 115.44 2rml h LYS 121 Ca 0.00 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2rml h LYS 121 Cb 0.16 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2rml h LYS 121 CO 0.00 0.36 -0.01 1.49 -2.81 0.00 0.00 179.45 178.48 2rml h GLU 122 N 0.42 -0.03 -4.23 1.90 4.22 -1.99 -3.49 114.58 111.37 2rml h GLU 122 Ca 0.11 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.29 2rml h GLU 122 Cb 0.10 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 29.12 2rml h GLU 122 CO -0.01 0.47 -0.73 0.00 -2.18 0.00 0.00 179.01 176.57 2rml s ALA 123 N -2.57 0.34 0.00 2.92 0.00 -1.24 -5.11 121.76 116.11 2rml s ALA 123 Ca -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2rml s ALA 123 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2rml s ALA 123 CO 0.37 -0.02 0.00 0.45 0.00 0.00 0.00 175.76 176.57 2rml n SER 124 N 2.13 0.00 0.26 0.00 2.88 -1.26 -4.77 113.62 112.86 2rml n SER 124 Ca -0.19 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.44 2rml n SER 124 Cb 0.56 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.68 2rml n SER 124 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2rml h VAL 125 N 0.00 0.95 0.88 2.46 2.07 -1.97 -0.88 116.25 119.77 2rml h VAL 125 Ca 0.00 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2rml h VAL 125 Cb 0.00 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2rml h VAL 125 CO 0.00 0.02 -0.42 0.28 0.02 0.00 0.00 177.57 177.47 2rml h SER 126 N 0.00 -1.00 -0.36 0.57 0.02 -1.97 -1.83 113.55 108.98 2rml h SER 126 Ca -0.00 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2rml h SER 126 Cb 0.05 0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 2rml h SER 126 CO 0.00 -0.68 0.03 0.44 -1.14 0.00 0.00 176.83 175.49 2rml h ASP 127 N -1.26 -0.07 -0.08 3.07 5.19 -1.80 -1.30 116.42 120.17 2rml h ASP 127 Ca -0.12 0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 56.19 2rml h ASP 127 Cb 0.91 0.12 0.01 0.00 0.18 0.00 0.00 39.33 40.54 2rml h ASP 127 CO 0.20 -0.00 -0.61 -0.07 -3.12 0.00 0.00 179.24 175.64 2rml h LEU 128 N 0.14 0.67 -0.27 1.55 3.38 -1.29 -1.19 115.31 118.30 2rml h LEU 128 Ca 0.17 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.48 2rml h LEU 128 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2rml h LEU 128 CO -0.26 1.24 0.16 0.11 0.09 0.00 0.00 178.44 179.78 2rml h LYS 129 N 0.15 0.33 0.00 1.13 1.57 -1.26 -0.98 116.57 117.50 2rml h LYS 129 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2rml h LYS 129 Cb 1.27 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2rml h LYS 129 CO 0.12 0.22 -0.05 0.93 -0.57 0.00 0.00 179.45 180.10 2rml h GLU 130 N 0.34 0.00 -0.08 3.15 5.08 -1.18 0.12 114.58 122.01 2rml h GLU 130 Ca 0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2rml h GLU 130 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 2rml h GLU 130 CO -0.04 0.05 -0.44 0.00 -1.00 0.00 0.00 179.01 177.57 2rml h ALA 131 N 1.95 0.16 0.00 3.43 0.00 -1.00 -3.38 119.26 120.42 2rml h ALA 131 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2rml h ALA 131 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2rml h ALA 131 CO 0.01 0.30 -0.33 0.28 0.00 0.00 0.00 179.25 179.50 2rml h VAL 132 N -0.01 0.35 -0.24 0.00 2.07 -0.41 -3.26 116.25 114.73 2rml h VAL 132 Ca -0.03 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 2rml h VAL 132 Cb 1.09 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2rml h VAL 132 CO 0.09 0.20 0.05 -0.78 0.02 0.00 0.00 177.57 177.15 2rml h ASP 133 N 0.00 0.31 0.54 0.57 3.58 -0.75 -0.98 116.42 119.69 2rml h ASP 133 Ca -0.01 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 2rml h ASP 133 Cb 1.17 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 2rml h ASP 133 CO 0.03 0.33 -0.24 0.50 -2.88 0.00 0.00 179.24 176.97 2rml h LYS 134 N 0.34 0.00 -0.00 0.28 1.63 -1.73 -2.18 116.57 114.91 2rml h LYS 134 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2rml h LYS 134 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2rml h LYS 134 CO -0.00 0.24 -0.32 1.28 -3.45 0.00 0.00 179.45 177.20 2rml n LEU 135 N -3.71 0.71 0.00 5.20 7.99 -0.46 -4.99 117.00 121.74 2rml n LEU 135 Ca -0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 2rml n LEU 135 Cb 0.36 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 2rml n LEU 135 CO 0.34 0.14 0.00 0.61 -1.51 0.00 0.00 177.39 176.97 2rml n GLY 136 N 1.40 0.70 0.00 -0.72 0.00 -0.67 -5.08 105.19 100.82 2rml n GLY 136 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.02 0.00 -4.07 1.61 4.01 -1.12 -4.99 117.16 110.58 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 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2rml n TYR 137 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2rml s LYS 138 N -1.12 1.57 -0.31 -0.72 0.00 -1.26 -3.18 119.74 114.72 2rml s LYS 138 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 55.97 54.50 2rml s LYS 138 Cb 0.00 0.42 0.09 0.00 0.00 0.00 0.00 37.83 38.34 2rml s LYS 138 CO 0.00 -0.63 0.05 -0.51 0.00 0.00 0.00 175.35 174.26 2rml s LEU 139 N -3.11 3.45 -0.19 2.77 1.43 -1.26 -2.82 118.68 118.95 2rml s LEU 139 Ca 0.29 -1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 51.38 2rml s LEU 139 Cb 0.01 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2rml s LEU 139 CO 0.13 -0.37 0.60 -0.54 0.23 0.00 0.00 176.35 176.40 2rml s LYS 140 N 1.25 4.21 0.50 1.70 1.02 -0.59 -4.82 119.74 123.02 2rml s LYS 140 Ca 0.08 0.57 -0.20 0.00 0.02 0.00 0.00 55.97 56.43 2rml s LYS 140 Cb -0.18 -3.57 -0.08 0.00 -0.52 0.00 0.00 37.83 33.48 2rml s LYS 140 CO -0.14 -0.21 1.06 -0.51 -0.92 0.00 0.00 175.35 174.63 2rml s LEU 141 N 1.81 3.81 -0.42 3.17 1.43 -1.26 -0.47 118.68 126.75 2rml s LEU 141 Ca 0.28 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 55.14 2rml s LEU 141 Cb -0.16 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.52 2rml s LEU 141 CO 0.10 -0.90 0.72 -0.75 0.23 0.00 0.00 176.35 175.75 2rml s LYS 142 N -3.26 3.44 0.00 1.70 2.47 -1.13 -1.50 119.74 121.45 2rml s LYS 142 Ca 0.69 -0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.97 2rml s LYS 142 Cb -0.18 -3.91 0.00 0.00 -1.46 0.00 0.00 37.83 32.28 2rml s LYS 142 CO 0.22 -1.00 0.00 0.41 0.16 0.00 0.00 175.35 175.14 2rml n GLY 143 N 4.91 0.86 0.48 5.54 0.00 0.75 -4.63 105.19 113.12 2rml n GLY 143 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2rml n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rml n GLU 144 N 0.00 1.60 0.18 1.61 1.02 -1.26 -4.38 120.64 119.41 2rml n GLU 144 Ca 0.00 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 2rml n GLU 144 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2rml n GLU 144 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2rml n GLN 145 N 0.11 0.00 -0.00 3.49 6.02 -1.03 -4.76 117.38 121.21 2rml n GLN 145 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.89 2rml n GLN 145 Cb 0.24 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.39 2rml n GLN 145 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2rml h ASP 146 N 0.00 0.43 0.00 1.08 3.58 -1.50 -3.48 116.42 116.53 2rml h ASP 146 Ca 0.00 -0.78 0.00 0.00 0.42 0.00 0.00 57.03 56.67 2rml h ASP 146 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2rml h ASP 146 CO 0.00 1.16 0.00 -0.24 -2.88 0.00 0.00 179.24 177.28