#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ixo n GLU 3 N 0.00 1.56 -2.22 0.00 2.13 -1.26 -4.93 120.64 115.92 1ixo n GLU 3 Ca 0.00 0.57 -0.42 0.00 0.66 0.00 0.00 57.16 57.97 1ixo n GLU 3 Cb 0.00 -2.40 -0.03 0.00 0.27 0.00 0.00 31.44 29.28 1ixo n GLU 3 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ixo s LEU 4 N -2.45 4.38 0.33 4.31 0.20 -1.26 -4.99 118.68 119.20 1ixo s LEU 4 Ca 0.69 2.29 0.01 0.00 0.69 0.00 0.00 54.13 57.81 1ixo s LEU 4 Cb -0.45 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 41.69 1ixo s LEU 4 CO 0.52 -0.61 0.53 -0.76 -0.29 0.00 0.00 176.35 175.74 1ixo s LEU 5 N 0.92 4.05 -0.14 -0.68 1.43 -0.21 -4.96 118.68 119.08 1ixo s LEU 5 Ca 0.62 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1ixo s LEU 5 Cb -0.36 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 42.60 1ixo s LEU 5 CO 0.31 -0.26 -0.18 -0.22 0.23 0.00 0.00 176.35 176.23 1ixo s LEU 6 N -4.21 1.93 -0.20 1.79 0.20 -1.26 -1.81 118.68 115.12 1ixo s LEU 6 Ca 0.40 -0.55 -0.06 0.00 0.69 0.00 0.00 54.13 54.61 1ixo s LEU 6 Cb -0.10 -1.31 -0.03 0.00 -0.43 0.00 0.00 46.19 44.32 1ixo s LEU 6 CO 0.35 0.02 0.01 -0.83 -0.29 0.00 0.00 176.35 175.61 1ixo s GLY 7 N 1.11 1.76 -0.25 7.98 0.00 0.79 0.11 107.32 118.82 1ixo s GLY 7 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.66 1ixo s GLY 7 CO -0.06 0.20 0.16 0.14 0.00 0.00 0.00 173.10 173.53 1ixo s VAL 8 N 0.87 5.27 -0.32 1.40 1.01 -0.31 -1.42 120.40 126.90 1ixo s VAL 8 Ca 0.01 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1ixo s VAL 8 Cb -0.14 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ixo s VAL 8 CO 0.02 0.32 0.67 0.21 0.00 0.00 0.00 175.10 176.31 1ixo s ASN 9 N 1.30 6.50 -0.09 3.32 3.84 -0.23 -1.04 114.94 128.53 1ixo s ASN 9 Ca 0.07 0.37 0.18 0.00 0.21 0.00 0.00 52.86 53.69 1ixo s ASN 9 Cb -0.14 -2.35 0.67 0.00 -0.55 0.00 0.00 41.25 38.88 1ixo s ASN 9 CO 0.06 -0.55 1.56 2.30 -2.79 0.00 0.00 177.10 177.69 1ixo n ILE 10 N 5.50 1.57 -0.29 -5.21 -5.35 -0.70 -4.39 119.36 110.49 1ixo n ILE 10 Ca -0.00 -1.07 0.12 0.00 -0.27 0.00 0.00 62.75 61.53 1ixo n ILE 10 Cb 0.49 0.16 0.28 0.00 -1.74 0.00 0.00 39.64 38.82 1ixo n ILE 10 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1ixo h ASP 11 N 3.88 0.17 0.55 7.28 3.32 -1.92 -0.84 116.42 128.86 1ixo h ASP 11 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ixo h ASP 11 Cb 1.30 0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.04 1ixo h ASP 11 CO 0.18 -0.06 0.00 1.41 -1.72 0.00 0.00 179.24 179.05 1ixo n HIS 12 N -5.12 0.00 -0.08 4.55 8.25 -1.26 -1.09 115.22 120.46 1ixo n HIS 12 Ca 0.21 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.53 1ixo n HIS 12 Cb 0.63 -0.43 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 1ixo n HIS 12 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1ixo h ILE 13 N 0.00 1.31 -0.42 1.59 1.08 -1.50 -2.91 117.51 116.67 1ixo h ILE 13 Ca 0.00 -1.52 -0.08 0.00 -0.39 0.00 0.00 64.86 62.87 1ixo h ILE 13 Cb 0.28 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1ixo h ILE 13 CO 0.00 0.48 -0.08 0.00 -0.69 0.00 0.00 178.15 177.86 1ixo h ALA 14 N 0.66 1.08 -0.47 1.87 0.00 -1.15 -2.34 119.26 118.90 1ixo h ALA 14 Ca 0.03 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1ixo h ALA 14 Cb 0.91 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1ixo h ALA 14 CO 0.08 0.57 0.19 1.15 0.00 0.00 0.00 179.25 181.24 1ixo h THR 15 N 0.67 0.88 -0.26 0.00 2.02 -1.34 0.36 112.91 115.24 1ixo h THR 15 Ca 0.12 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1ixo h THR 15 Cb 0.53 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1ixo h THR 15 CO 0.03 0.07 -0.17 0.25 0.37 0.00 0.00 175.52 176.07 1ixo h LEU 16 N 0.39 0.45 -0.06 2.58 5.85 -1.30 -3.12 115.31 120.09 1ixo h LEU 16 Ca 0.22 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ixo h LEU 16 Cb 0.19 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1ixo h LEU 16 CO -0.20 0.64 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.36 1ixo h ARG 17 N 0.42 0.17 0.00 1.25 2.43 -0.59 -3.27 114.38 114.79 1ixo h ARG 17 Ca 0.07 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ixo h ARG 17 Cb 0.55 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ixo h ARG 17 CO 0.04 0.66 0.00 0.09 -1.51 0.00 0.00 179.97 179.25 1ixo n ASN 18 N -4.68 0.00 0.00 -3.80 4.13 0.11 -2.12 115.26 108.90 1ixo n ASN 18 Ca -0.08 0.43 0.11 0.00 1.68 0.00 0.00 54.58 56.73 1ixo n ASN 18 Cb 0.34 -0.46 0.62 0.00 -1.54 0.00 0.00 39.78 38.74 1ixo n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ixo n ALA 19 N -1.46 2.26 0.00 5.41 0.00 -1.18 -4.07 120.51 121.47 1ixo n ALA 19 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ixo n ALA 19 Cb 0.13 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1ixo n ALA 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ixo n ARG 20 N -1.08 4.41 0.00 0.00 3.00 -0.90 -5.03 116.66 117.06 1ixo n ARG 20 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1ixo n ARG 20 Cb 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1ixo n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ixo n GLY 21 N 0.23 2.95 3.59 5.14 0.00 -1.23 -5.03 105.19 110.85 1ixo n GLY 21 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ixo n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ixo s THR 22 N -2.06 1.67 -1.87 2.61 -4.23 -1.26 -4.99 115.64 105.52 1ixo s THR 22 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.73 1ixo s THR 22 Cb 0.00 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1ixo s THR 22 CO 0.00 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.16 1ixo n ALA 23 N -4.71 3.74 -2.58 3.99 0.00 -1.26 -4.82 120.51 114.87 1ixo n ALA 23 Ca 0.11 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 1ixo n ALA 23 Cb 0.59 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 1ixo n ALA 23 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ixo s TYR 24 N -2.56 2.75 0.50 0.00 -0.85 -1.26 -3.61 117.35 112.32 1ixo s TYR 24 Ca 0.17 -0.15 -0.19 0.00 -0.52 0.00 0.00 57.07 56.38 1ixo s TYR 24 Cb 0.18 -1.43 -0.08 0.00 0.38 0.00 0.00 41.96 41.01 1ixo s TYR 24 CO 0.62 0.43 1.03 -1.25 -1.52 0.00 0.00 175.55 174.86 1ixo s PRO 25 N -2.24 3.77 -0.24 -3.49 0.04 -1.26 -4.44 135.00 127.15 1ixo s PRO 25 Ca 0.22 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 1ixo s PRO 25 Cb -0.11 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1ixo s PRO 25 CO 0.14 -0.44 0.46 0.34 0.04 0.00 0.00 177.00 177.53 1ixo s ASP 26 N -2.29 6.42 0.58 6.66 -1.08 -1.24 -4.59 116.67 121.14 1ixo s ASP 26 Ca 0.65 0.50 0.27 0.00 -0.52 0.00 0.00 52.55 53.46 1ixo s ASP 26 Cb -0.15 -2.26 1.60 0.00 -1.46 0.00 0.00 42.92 40.66 1ixo s ASP 26 CO 0.24 -0.19 2.09 -0.65 0.52 0.00 0.00 175.17 177.18 1ixo h PRO 27 N 7.77 0.00 -0.52 4.34 0.11 -1.89 -0.70 132.00 141.10 1ixo h PRO 27 Ca -0.32 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1ixo h PRO 27 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1ixo h PRO 27 CO 0.71 0.00 0.10 0.28 -0.21 0.00 0.00 178.00 178.88 1ixo h VAL 28 N 0.00 1.23 0.03 3.15 2.07 -1.94 -1.80 116.25 118.99 1ixo h VAL 28 Ca 0.10 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ixo h VAL 28 Cb 0.50 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ixo h VAL 28 CO -0.00 0.31 -0.02 -0.61 0.02 0.00 0.00 177.57 177.27 1ixo h GLN 29 N 0.77 -0.05 -0.99 1.57 4.15 -1.55 -3.10 115.11 115.92 1ixo h GLN 29 Ca 0.17 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.79 1ixo h GLN 29 Cb 0.32 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 27.91 1ixo h GLN 29 CO 0.00 0.44 0.59 0.00 -1.93 0.00 0.00 178.83 177.93 1ixo h ALA 30 N 0.38 1.65 -0.60 3.38 0.00 -1.41 -0.79 119.26 121.88 1ixo h ALA 30 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ixo h ALA 30 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ixo h ALA 30 CO 0.01 -0.08 0.32 0.00 0.00 0.00 0.00 179.25 179.49 1ixo h ALA 31 N 1.65 0.77 -0.47 0.00 0.00 -1.29 -0.93 119.26 118.99 1ixo h ALA 31 Ca 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1ixo h ALA 31 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ixo h ALA 31 CO -0.40 0.30 0.31 0.74 0.00 0.00 0.00 179.25 180.20 1ixo h PHE 32 N 0.81 0.60 0.36 0.00 0.04 -1.09 0.32 116.94 117.99 1ixo h PHE 32 Ca 0.21 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.97 1ixo h PHE 32 Cb 0.06 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.01 1ixo h PHE 32 CO -0.01 0.39 -0.17 0.82 -0.60 0.00 0.00 178.31 178.74 1ixo h ILE 33 N 0.64 0.66 -0.47 -0.55 2.04 -1.22 -2.50 117.51 116.10 1ixo h ILE 33 Ca 0.17 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1ixo h ILE 33 Cb -0.06 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1ixo h ILE 33 CO -0.04 0.02 0.29 0.00 0.00 0.00 0.00 178.15 178.42 1ixo h ALA 34 N 0.11 0.59 0.00 1.87 0.00 -1.04 -1.92 119.26 118.87 1ixo h ALA 34 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ixo h ALA 34 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ixo h ALA 34 CO 0.08 -0.01 -0.04 0.93 0.00 0.00 0.00 179.25 180.21 1ixo h GLU 35 N 0.58 0.00 -0.31 0.00 5.08 -0.85 -1.24 114.58 117.84 1ixo h GLU 35 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ixo h GLU 35 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1ixo h GLU 35 CO -0.07 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.02 1ixo n GLN 36 N -3.83 2.30 -0.14 2.33 6.02 -0.77 -4.31 117.38 118.98 1ixo n GLN 36 Ca -0.03 -1.96 0.07 0.00 -0.01 0.00 0.00 57.00 55.07 1ixo n GLN 36 Cb 0.13 -1.48 0.09 0.00 1.02 0.00 0.00 30.24 30.01 1ixo n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ixo n ALA 37 N 1.18 2.14 0.00 -1.58 0.00 -0.77 -4.97 120.51 116.51 1ixo n ALA 37 Ca 0.18 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.56 1ixo n ALA 37 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1ixo n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ixo n GLY 38 N -1.02 1.42 3.73 0.00 0.00 -1.20 -2.09 105.19 106.03 1ixo n GLY 38 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1ixo n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixo s ALA 39 N -1.65 3.26 -1.10 4.61 0.00 -0.54 -4.55 121.76 121.79 1ixo s ALA 39 Ca 0.00 0.62 0.19 0.00 0.00 0.00 0.00 51.96 52.77 1ixo s ALA 39 Cb 0.00 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 1ixo s ALA 39 CO 0.00 -0.08 0.86 -0.25 0.00 0.00 0.00 175.76 176.29 1ixo n ASP 40 N 2.87 1.11 -3.43 0.00 8.00 0.12 -4.50 116.55 120.71 1ixo n ASP 40 Ca 0.03 -1.05 -0.12 0.00 0.71 0.00 0.00 54.79 54.36 1ixo n ASP 40 Cb 0.49 0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 42.47 1ixo n ASP 40 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ixo s GLY 41 N -2.73 -0.60 -0.04 0.44 0.00 -1.13 -4.30 107.32 98.96 1ixo s GLY 41 Ca 0.09 0.57 0.06 0.00 0.00 0.00 0.00 44.72 45.44 1ixo s GLY 41 CO 0.74 0.19 -0.23 -0.42 0.00 0.00 0.00 173.10 173.38 1ixo s ILE 42 N -3.64 1.86 -0.09 0.90 -1.09 -0.80 -1.16 121.20 117.17 1ixo s ILE 42 Ca 0.01 -0.98 0.04 0.00 -2.23 0.00 0.00 60.65 57.49 1ixo s ILE 42 Cb -0.01 -1.57 0.00 0.00 -1.58 0.00 0.00 42.46 39.30 1ixo s ILE 42 CO -0.12 0.52 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.99 1ixo s THR 43 N -0.29 1.95 0.03 2.92 2.01 -0.21 -0.63 115.64 121.42 1ixo s THR 43 Ca 0.02 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.10 1ixo s THR 43 Cb -0.11 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1ixo s THR 43 CO 0.01 0.54 -0.14 0.68 -0.69 0.00 0.00 174.62 175.02 1ixo s VAL 44 N 0.35 1.08 -0.30 3.82 -7.23 -0.93 -1.71 120.40 115.48 1ixo s VAL 44 Ca -0.18 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1ixo s VAL 44 Cb -0.18 -0.97 0.04 0.00 0.56 0.00 0.00 36.38 35.84 1ixo s VAL 44 CO 0.08 0.05 0.02 -2.28 -0.31 0.00 0.00 175.10 172.66 1ixo s HIS 45 N -0.75 3.20 -0.54 2.82 2.46 -1.26 -0.00 115.29 121.22 1ixo s HIS 45 Ca 0.02 -1.58 -0.26 0.00 0.47 0.00 0.00 55.06 53.71 1ixo s HIS 45 Cb -0.07 -2.15 0.03 0.00 -0.13 0.00 0.00 32.58 30.26 1ixo s HIS 45 CO 0.01 -0.74 1.03 -1.17 -2.47 0.00 0.00 174.74 171.40 1ixo s LEU 46 N 1.33 3.85 0.14 8.88 0.20 -0.76 -4.45 118.68 127.87 1ixo s LEU 46 Ca -0.02 -0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.60 1ixo s LEU 46 Cb -0.19 -3.05 -0.07 0.00 -0.43 0.00 0.00 46.19 42.45 1ixo s LEU 46 CO -0.01 -1.28 0.52 -0.13 -0.29 0.00 0.00 176.35 175.17 1ixo s ARG 47 N 4.27 3.93 0.44 1.98 0.52 -1.26 -4.72 118.95 124.11 1ixo s ARG 47 Ca 0.37 0.42 0.14 0.00 -0.52 0.00 0.00 55.73 56.14 1ixo s ARG 47 Cb -0.10 -2.93 1.05 0.00 0.52 0.00 0.00 34.95 33.49 1ixo s ARG 47 CO 0.23 0.49 2.00 0.93 0.02 0.00 0.00 175.30 178.97 1ixo h GLU 48 N 3.55 0.36 -0.00 3.54 5.08 -1.97 0.46 114.58 125.60 1ixo h GLU 48 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1ixo h GLU 48 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ixo h GLU 48 CO 0.66 0.24 -0.08 -0.40 -1.00 0.00 0.00 179.01 178.43 1ixo n ASP 49 N -4.47 0.34 -3.95 1.42 5.68 -1.26 -4.92 116.55 109.39 1ixo n ASP 49 Ca 0.08 -0.49 -0.30 0.00 -0.50 0.00 0.00 54.79 53.58 1ixo n ASP 49 Cb 0.34 -0.12 0.02 0.00 -1.14 0.00 0.00 41.12 40.22 1ixo n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ixo n ARG 50 N -1.03 -5.08 -0.09 0.11 5.12 0.16 -4.87 116.66 110.97 1ixo n ARG 50 Ca 0.15 0.56 -0.07 0.00 -1.93 0.00 0.00 57.85 56.56 1ixo n ARG 50 Cb 0.26 -5.38 -0.00 0.00 -1.16 0.00 0.00 32.46 26.17 1ixo n ARG 50 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1ixo h ARG 51 N -1.98 -0.17 0.00 5.56 1.12 -1.92 -3.43 114.38 113.56 1ixo h ARG 51 Ca -0.59 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.30 1ixo h ARG 51 Cb 1.38 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.37 1ixo h ARG 51 CO 0.68 -0.11 0.00 -2.39 -3.11 0.00 0.00 179.97 175.04 1ixo n HIS 52 N -5.37 0.00 -1.88 2.20 1.44 -1.26 -4.83 115.22 105.52 1ixo n HIS 52 Ca 0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.30 1ixo n HIS 52 Cb 0.28 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 1ixo n HIS 52 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ixo s ILE 53 N 0.00 2.43 0.44 0.61 -1.09 -1.26 -4.83 121.20 117.50 1ixo s ILE 53 Ca 0.00 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 1ixo s ILE 53 Cb 0.00 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1ixo s ILE 53 CO 0.00 0.03 0.26 0.42 -1.23 0.00 0.00 174.94 174.42 1ixo s THR 54 N 0.91 2.20 0.47 2.92 -4.23 -1.26 -4.51 115.64 112.14 1ixo s THR 54 Ca 0.69 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.73 1ixo s THR 54 Cb -0.45 -2.80 0.27 0.00 1.34 0.00 0.00 72.50 70.86 1ixo s THR 54 CO 0.34 0.00 2.11 0.44 -0.54 0.00 0.00 174.62 176.97 1ixo h ASP 55 N 1.21 0.21 -0.08 3.99 5.19 -1.98 -1.89 116.42 123.08 1ixo h ASP 55 Ca -0.41 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1ixo h ASP 55 Cb 1.27 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 1ixo h ASP 55 CO 0.65 0.15 0.02 -0.09 -3.12 0.00 0.00 179.24 176.85 1ixo h ARG 56 N 0.25 0.12 0.10 3.56 2.43 -1.98 0.10 114.38 118.95 1ixo h ARG 56 Ca 0.07 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1ixo h ARG 56 Cb -0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1ixo h ARG 56 CO -0.01 0.32 -0.32 -0.44 -1.51 0.00 0.00 179.97 178.00 1ixo h ASP 57 N -0.09 -0.93 -0.66 -3.80 3.32 -1.75 0.24 116.42 112.75 1ixo h ASP 57 Ca 0.02 0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1ixo h ASP 57 Cb 0.25 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1ixo h ASP 57 CO 0.00 -0.40 0.38 0.58 -1.72 0.00 0.00 179.24 178.08 1ixo h VAL 58 N -0.53 1.02 -0.32 -1.35 2.07 -1.39 0.43 116.25 116.18 1ixo h VAL 58 Ca 0.04 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ixo h VAL 58 Cb 0.57 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ixo h VAL 58 CO -0.20 0.13 0.21 -0.09 0.02 0.00 0.00 177.57 177.64 1ixo h ARG 59 N 0.73 0.43 -0.09 1.57 2.43 -0.17 -0.62 114.38 118.66 1ixo h ARG 59 Ca 0.28 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1ixo h ARG 59 Cb 0.12 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1ixo h ARG 59 CO -0.15 0.30 -0.26 0.82 -1.51 0.00 0.00 179.97 179.17 1ixo h ILE 60 N 0.43 1.40 -0.83 1.20 2.04 -0.05 -3.22 117.51 118.48 1ixo h ILE 60 Ca 0.12 -1.59 0.12 0.00 1.00 0.00 0.00 64.86 64.51 1ixo h ILE 60 Cb -0.03 2.19 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 1ixo h ILE 60 CO -0.02 0.46 0.44 -0.07 0.00 0.00 0.00 178.15 178.95 1ixo h LEU 61 N -0.11 0.57 -2.18 1.44 4.07 -0.13 0.28 115.31 119.25 1ixo h LEU 61 Ca -0.01 0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.08 1ixo h LEU 61 Cb 0.87 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.58 1ixo h LEU 61 CO 0.06 0.28 0.17 -0.09 -1.08 0.00 0.00 178.44 177.77 1ixo h ARG 62 N 0.68 0.00 0.00 1.13 9.65 -1.12 -0.78 114.38 123.94 1ixo h ARG 62 Ca 0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.31 1ixo h ARG 62 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1ixo h ARG 62 CO -0.31 0.00 -1.44 1.04 2.80 0.00 0.00 179.97 182.06 1ixo n GLN 63 N -4.03 0.49 -0.00 0.20 6.02 0.82 -4.53 117.38 116.34 1ixo n GLN 63 Ca 0.01 -0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.01 1ixo n GLN 63 Cb 0.29 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 29.86 1ixo n GLN 63 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ixo n THR 64 N -2.20 0.00 -2.07 5.09 -2.24 -0.22 -4.99 114.28 107.65 1ixo n THR 64 Ca -0.01 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1ixo n THR 64 Cb 0.51 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1ixo n THR 64 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ixo s LEU 65 N -3.35 4.40 0.17 3.22 1.43 -0.40 -4.91 118.68 119.23 1ixo s LEU 65 Ca -0.00 2.61 0.23 0.00 -1.03 0.00 0.00 54.13 55.93 1ixo s LEU 65 Cb 0.09 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 1ixo s LEU 65 CO 0.57 -0.64 1.01 -0.67 0.23 0.00 0.00 176.35 176.85 1ixo n ASP 66 N 2.20 0.76 0.00 2.29 2.03 -1.26 -4.87 116.55 117.69 1ixo n ASP 66 Ca 0.06 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1ixo n ASP 66 Cb 0.41 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 1ixo n ASP 66 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ixo n THR 67 N -2.57 0.00 -3.94 5.18 -2.24 -1.26 -5.14 114.28 104.32 1ixo n THR 67 Ca -0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1ixo n THR 67 Cb 0.54 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 1ixo n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ixo s ARG 68 N 2.69 0.54 0.04 -0.78 1.04 -1.26 -5.05 118.95 116.17 1ixo s ARG 68 Ca 0.00 -0.72 -0.14 0.00 -1.04 0.00 0.00 55.73 53.84 1ixo s ARG 68 Cb 0.00 0.21 -0.06 0.00 -2.04 0.00 0.00 34.95 33.06 1ixo s ARG 68 CO 0.00 -0.13 0.43 1.41 -0.04 0.00 0.00 175.30 176.97 1ixo s MET 69 N -2.38 3.91 -0.30 3.89 -2.45 -1.26 -1.91 119.30 118.79 1ixo s MET 69 Ca -0.07 0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.80 1ixo s MET 69 Cb -0.03 -3.14 0.08 0.00 1.25 0.00 0.00 34.83 32.99 1ixo s MET 69 CO -0.04 0.64 -0.03 1.21 1.05 0.00 0.00 175.02 177.85 1ixo s ASN 70 N -1.30 4.60 -0.40 1.11 2.47 0.20 -1.36 114.94 120.26 1ixo s ASN 70 Ca 0.28 -1.77 -0.24 0.00 0.42 0.00 0.00 52.86 51.54 1ixo s ASN 70 Cb -0.16 -1.58 0.02 0.00 -1.45 0.00 0.00 41.25 38.07 1ixo s ASN 70 CO 0.15 -0.28 0.84 -0.22 -3.72 0.00 0.00 177.10 173.87 1ixo s LEU 71 N 1.01 4.10 -0.14 3.21 0.20 -0.63 -2.19 118.68 124.24 1ixo s LEU 71 Ca 0.01 0.25 -0.21 0.00 0.69 0.00 0.00 54.13 54.86 1ixo s LEU 71 Cb -0.19 -3.09 -0.03 0.00 -0.43 0.00 0.00 46.19 42.44 1ixo s LEU 71 CO -0.07 -0.86 0.64 -0.70 -0.29 0.00 0.00 176.35 175.07 1ixo s GLU 72 N 3.35 4.31 0.12 1.98 2.12 0.10 -0.83 118.70 129.85 1ixo s GLU 72 Ca 0.33 0.70 -0.18 0.00 0.36 0.00 0.00 54.97 56.19 1ixo s GLU 72 Cb -0.12 -3.51 0.04 0.00 0.26 0.00 0.00 34.13 30.80 1ixo s GLU 72 CO 0.20 -0.08 0.44 0.00 -0.54 0.00 0.00 175.26 175.28 1ixo s MET 73 N 1.34 1.09 0.69 4.30 0.23 -0.84 -1.83 119.30 124.28 1ixo s MET 73 Ca 0.32 -0.62 -0.08 0.00 -1.03 0.00 0.00 55.69 54.28 1ixo s MET 73 Cb -0.16 0.48 0.04 0.00 -1.53 0.00 0.00 34.83 33.66 1ixo s MET 73 CO 0.13 -0.43 1.02 0.00 -2.03 0.00 0.00 175.02 173.71 1ixo s ALA 74 N -3.63 3.09 -1.20 3.16 0.00 -1.26 -1.17 121.76 120.76 1ixo s ALA 74 Ca 0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 1ixo s ALA 74 Cb 0.01 -2.71 0.19 0.00 0.00 0.00 0.00 23.12 20.62 1ixo s ALA 74 CO -0.11 -1.19 1.39 0.28 0.00 0.00 0.00 175.76 176.13 1ixo n VAL 75 N -2.89 4.33 -4.28 0.00 0.31 -1.25 -4.69 118.33 109.86 1ixo n VAL 75 Ca 0.07 -4.86 -0.19 0.00 -0.01 0.00 0.00 64.34 59.34 1ixo n VAL 75 Cb 0.59 -2.48 -0.11 0.00 -0.91 0.00 0.00 33.84 30.93 1ixo n VAL 75 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1ixo s THR 76 N 0.91 1.54 0.29 2.52 -4.23 -1.26 -5.04 115.64 110.37 1ixo s THR 76 Ca 0.40 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1ixo s THR 76 Cb -0.04 -1.68 0.28 0.00 1.34 0.00 0.00 72.50 72.40 1ixo s THR 76 CO -0.01 -0.39 1.79 -0.08 -0.54 0.00 0.00 174.62 175.39 1ixo h GLU 77 N 3.37 0.76 0.69 3.99 4.57 -1.99 -1.05 114.58 124.92 1ixo h GLU 77 Ca -0.41 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 1ixo h GLU 77 Cb 1.20 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1ixo h GLU 77 CO 0.51 0.50 -0.47 1.49 -1.18 0.00 0.00 179.01 179.87 1ixo h GLU 78 N 0.78 -1.06 -0.57 1.92 4.81 -1.96 -1.62 114.58 116.88 1ixo h GLU 78 Ca 0.53 0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.86 1ixo h GLU 78 Cb 0.74 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 1ixo h GLU 78 CO -0.35 -0.70 0.34 0.52 -0.73 0.00 0.00 179.01 178.08 1ixo h MET 79 N -1.10 0.64 -0.82 1.92 2.86 -1.75 -1.55 114.93 115.13 1ixo h MET 79 Ca -0.09 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1ixo h MET 79 Cb 0.89 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1ixo h MET 79 CO 0.07 0.42 0.53 -0.07 1.06 0.00 0.00 176.91 178.92 1ixo h LEU 80 N 0.66 0.90 -0.50 1.22 3.38 -1.19 0.35 115.31 120.12 1ixo h LEU 80 Ca 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1ixo h LEU 80 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ixo h LEU 80 CO -0.12 0.63 0.24 0.00 0.09 0.00 0.00 178.44 179.29 1ixo h ALA 81 N 1.33 0.64 -0.44 1.53 0.00 -0.70 -1.30 119.26 120.33 1ixo h ALA 81 Ca 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ixo h ALA 81 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ixo h ALA 81 CO -0.10 0.21 0.15 0.82 0.00 0.00 0.00 179.25 180.33 1ixo h ILE 82 N 0.66 1.21 -0.32 0.00 2.04 -0.36 -2.23 117.51 118.52 1ixo h ILE 82 Ca 0.17 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1ixo h ILE 82 Cb 0.12 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1ixo h ILE 82 CO -0.02 0.25 0.08 0.00 0.00 0.00 0.00 178.15 178.46 1ixo h ALA 83 N 1.00 0.35 -0.72 1.87 0.00 -0.07 0.13 119.26 121.82 1ixo h ALA 83 Ca 0.14 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ixo h ALA 83 Cb 0.24 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1ixo h ALA 83 CO -0.01 -0.32 0.44 0.28 0.00 0.00 0.00 179.25 179.64 1ixo h VAL 84 N 0.21 1.05 -0.31 0.00 2.07 -1.07 0.21 116.25 118.40 1ixo h VAL 84 Ca 0.15 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1ixo h VAL 84 Cb 0.14 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1ixo h VAL 84 CO -0.18 0.15 -0.05 -0.08 0.02 0.00 0.00 177.57 177.43 1ixo h GLU 85 N 0.84 0.58 -0.01 1.57 4.57 -0.87 -3.25 114.58 118.01 1ixo h GLU 85 Ca 0.31 -0.21 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 1ixo h GLU 85 Cb 0.09 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1ixo h GLU 85 CO -0.14 0.75 -0.51 1.15 -1.18 0.00 0.00 179.01 179.09 1ixo h THR 86 N 0.36 1.36 -6.11 0.32 2.02 -0.28 -3.48 112.91 107.10 1ixo h THR 86 Ca 0.08 -1.74 -0.42 0.00 0.77 0.00 0.00 66.41 65.10 1ixo h THR 86 Cb 0.53 1.92 0.05 0.00 -1.74 0.00 0.00 68.15 68.90 1ixo h THR 86 CO 0.03 0.50 -0.83 0.29 0.37 0.00 0.00 175.52 175.88 1ixo n LYS 87 N -3.94 -4.86 -0.73 6.66 4.01 0.69 -4.95 118.16 115.04 1ixo n LYS 87 Ca -0.02 0.61 -0.31 0.00 -0.51 0.00 0.00 58.31 58.09 1ixo n LYS 87 Cb 0.52 -5.16 0.17 0.00 -0.51 0.00 0.00 35.03 30.05 1ixo n LYS 87 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 1ixo s PRO 88 N -6.03 0.99 0.09 1.97 0.02 -1.26 -4.91 135.00 125.87 1ixo s PRO 88 Ca 0.03 1.48 -0.15 0.00 0.02 0.00 0.00 61.00 62.37 1ixo s PRO 88 Cb -0.01 -1.73 -0.12 0.00 0.02 0.00 0.00 34.50 32.66 1ixo s PRO 88 CO 0.82 -2.62 1.35 1.25 -0.33 0.00 0.00 177.00 177.47 1ixo h HIS 89 N -1.86 0.86 -3.21 6.54 2.76 -1.89 -3.41 115.15 114.93 1ixo h HIS 89 Ca -0.44 -0.31 -0.50 0.00 -2.20 0.00 0.00 60.37 56.92 1ixo h HIS 89 Cb 1.27 -0.16 -0.17 0.00 1.55 0.00 0.00 27.41 29.90 1ixo h HIS 89 CO 0.49 1.08 -0.77 -0.06 -1.30 0.00 0.00 177.93 177.38 1ixo s PHE 90 N -4.08 1.78 -0.03 5.26 0.08 -0.46 -1.76 117.98 118.76 1ixo s PHE 90 Ca -0.12 -0.49 -0.00 0.00 0.12 0.00 0.00 56.93 56.43 1ixo s PHE 90 Cb 0.08 -0.87 0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1ixo s PHE 90 CO 0.84 0.33 0.02 0.00 -0.10 0.00 0.00 175.22 176.32 1ixo s LEU 93 N 1.27 4.33 0.30 0.00 1.43 0.31 -1.98 118.68 124.34 1ixo s LEU 93 Ca -0.04 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 1ixo s LEU 93 Cb -0.19 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 1ixo s LEU 93 CO -0.02 -0.23 0.10 0.68 0.23 0.00 0.00 176.35 177.12 1ixo s VAL 94 N 1.08 0.69 0.47 -1.59 -7.23 -0.32 -1.32 120.40 112.19 1ixo s VAL 94 Ca 0.45 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 1ixo s VAL 94 Cb -0.19 -2.62 -0.09 0.00 0.56 0.00 0.00 36.38 34.03 1ixo s VAL 94 CO 0.22 0.00 0.98 -2.84 -0.31 0.00 0.00 175.10 173.16 1ixo s PRO 95 N -3.92 4.01 0.00 4.82 0.02 -1.26 -3.91 135.00 134.76 1ixo s PRO 95 Ca 0.35 1.13 0.17 0.00 0.02 0.00 0.00 61.00 62.67 1ixo s PRO 95 Cb 0.07 -2.14 1.01 0.00 0.02 0.00 0.00 34.50 33.46 1ixo s PRO 95 CO 0.15 -0.23 1.42 -0.85 -0.33 0.00 0.00 177.00 177.16 1ixo n GLU 96 N -1.05 0.56 0.00 5.54 0.00 -1.26 -4.85 120.64 119.58 1ixo n GLU 96 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1ixo n GLU 96 Cb 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.50 1ixo n GLU 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1ixo n GLU 104 N -0.97 0.00 0.00 3.44 1.02 -1.26 -5.14 120.64 117.73 1ixo n GLU 104 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1ixo n GLU 104 Cb 0.06 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1ixo n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ixo n GLY 105 N -0.01 0.64 3.87 0.62 0.00 -1.26 -4.95 105.19 104.10 1ixo n GLY 105 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ixo n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ixo s GLY 106 N -0.64 1.60 0.43 -0.02 0.00 -1.26 -4.55 107.32 102.88 1ixo s GLY 106 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 44.72 43.92 1ixo s GLY 106 CO 0.00 -0.08 1.20 1.08 0.00 0.00 0.00 173.10 175.30 1ixo s LEU 107 N -5.63 4.11 -0.99 0.66 1.43 0.11 -4.82 118.68 113.56 1ixo s LEU 107 Ca 0.62 2.39 -0.15 0.00 -1.03 0.00 0.00 54.13 55.96 1ixo s LEU 107 Cb -0.12 -4.10 0.18 0.00 0.03 0.00 0.00 46.19 42.19 1ixo s LEU 107 CO 0.50 -0.83 1.09 -0.62 0.23 0.00 0.00 176.35 176.73 1ixo s ASP 108 N -1.15 6.85 -0.12 2.29 2.15 -1.26 -4.75 116.67 120.68 1ixo s ASP 108 Ca 0.60 -2.62 -0.28 0.00 0.43 0.00 0.00 52.55 50.68 1ixo s ASP 108 Cb -0.31 -2.32 -0.24 0.00 -0.30 0.00 0.00 42.92 39.74 1ixo s ASP 108 CO 0.39 -0.76 0.84 0.58 -0.17 0.00 0.00 175.17 176.04 1ixo h VAL 109 N 5.02 1.67 -1.02 1.11 2.07 -1.91 -3.21 116.25 119.98 1ixo h VAL 109 Ca 0.18 -2.09 0.28 0.00 0.82 0.00 0.00 66.70 65.89 1ixo h VAL 109 Cb 0.98 3.07 -0.05 0.00 -1.52 0.00 0.00 31.29 33.77 1ixo h VAL 109 CO 1.03 0.54 0.71 0.00 0.02 0.00 0.00 177.57 179.87 1ixo h ALA 110 N 0.05 2.77 -0.27 1.67 0.00 -1.86 0.28 119.26 121.91 1ixo h ALA 110 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ixo h ALA 110 Cb 0.88 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ixo h ALA 110 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.57 1ixo n GLY 111 N -1.67 1.10 2.74 0.00 0.00 -1.25 -4.32 105.19 101.79 1ixo n GLY 111 Ca 0.22 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1ixo n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ixo n GLN 112 N 1.02 1.42 -0.35 1.61 6.02 0.92 -4.97 117.38 123.06 1ixo n GLN 112 Ca 0.18 -2.67 0.12 0.00 -0.01 0.00 0.00 57.00 54.62 1ixo n GLN 112 Cb 0.50 -0.82 0.31 0.00 1.02 0.00 0.00 30.24 31.25 1ixo n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ixo h ARG 113 N 2.25 0.78 0.56 -1.09 3.08 -1.55 -1.76 114.38 116.65 1ixo h ARG 113 Ca -0.22 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1ixo h ARG 113 Cb 1.26 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 31.14 1ixo h ARG 113 CO 0.14 0.51 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.84 1ixo h ASP 114 N 0.80 -0.64 0.10 7.04 3.32 -1.93 0.11 116.42 125.22 1ixo h ASP 114 Ca 0.55 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.61 1ixo h ASP 114 Cb 0.82 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1ixo h ASP 114 CO -0.34 -0.40 -0.36 0.50 -1.72 0.00 0.00 179.24 176.93 1ixo h LYS 115 N -0.83 -0.56 -0.29 3.56 3.64 -1.87 -0.84 116.57 119.39 1ixo h LYS 115 Ca -0.08 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ixo h LYS 115 Cb 0.61 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1ixo h LYS 115 CO 0.13 -0.37 0.13 0.52 -2.27 0.00 0.00 179.45 177.59 1ixo h MET 116 N -0.58 0.39 -0.32 1.90 2.86 -1.35 -0.23 114.93 117.60 1ixo h MET 116 Ca 0.03 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1ixo h MET 116 Cb 0.61 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1ixo h MET 116 CO -0.22 0.32 -0.05 -0.09 1.06 0.00 0.00 176.91 177.92 1ixo h ARG 117 N 0.40 0.61 -0.51 1.72 2.43 -0.39 0.33 114.38 118.97 1ixo h ARG 117 Ca 0.10 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 1ixo h ARG 117 Cb 0.06 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1ixo h ARG 117 CO -0.01 0.78 -0.18 -0.44 -1.51 0.00 0.00 179.97 178.60 1ixo h ASP 118 N 0.39 1.03 0.11 -3.80 3.32 -0.64 -1.85 116.42 114.99 1ixo h ASP 118 Ca 0.09 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1ixo h ASP 118 Cb 0.54 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ixo h ASP 118 CO 0.03 1.18 -0.05 0.00 -1.72 0.00 0.00 179.24 178.68 1ixo h ALA 119 N 0.89 -0.15 -0.29 3.45 0.00 -0.93 -0.42 119.26 121.81 1ixo h ALA 119 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ixo h ALA 119 Cb 0.76 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ixo h ALA 119 CO 0.06 -0.57 0.17 0.00 0.00 0.00 0.00 179.25 178.91 1ixo h LYS 121 N 0.35 0.08 -0.04 0.00 3.64 -1.23 0.15 116.57 119.52 1ixo h LYS 121 Ca 0.12 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1ixo h LYS 121 Cb 0.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 1ixo h LYS 121 CO -0.06 0.05 -0.18 -0.09 -2.27 0.00 0.00 179.45 176.90 1ixo h ARG 122 N 0.08 -0.26 -0.61 1.90 2.43 -0.86 0.26 114.38 117.31 1ixo h ARG 122 Ca 0.05 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1ixo h ARG 122 Cb 0.05 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1ixo h ARG 122 CO -0.07 -0.17 0.02 -0.07 -1.51 0.00 0.00 179.97 178.16 1ixo h LEU 123 N -0.27 1.04 -1.11 3.80 3.38 -1.13 -2.45 115.31 118.58 1ixo h LEU 123 Ca 0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1ixo h LEU 123 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1ixo h LEU 123 CO -0.20 1.08 0.29 0.00 0.09 0.00 0.00 178.44 179.70 1ixo h ALA 124 N 1.03 1.30 0.00 1.53 0.00 -0.31 0.81 119.26 123.62 1ixo h ALA 124 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ixo h ALA 124 Cb 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ixo h ALA 124 CO 0.03 0.53 0.00 -0.44 0.00 0.00 0.00 179.25 179.37 1ixo h ASP 125 N 0.91 0.00 -0.03 0.00 3.32 -0.04 -0.89 116.42 119.69 1ixo h ASP 125 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1ixo h ASP 125 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ixo h ASP 125 CO -0.03 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 1ixo n ALA 126 N -1.98 2.53 -0.53 3.45 0.00 0.18 -4.92 120.51 119.25 1ixo n ALA 126 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1ixo n ALA 126 Cb 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1ixo n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ixo n GLY 127 N 1.23 0.75 3.68 0.00 0.00 -0.34 -4.90 105.19 105.63 1ixo n GLY 127 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1ixo n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ixo s ILE 128 N -2.62 4.97 -0.24 -0.61 1.01 -0.61 -4.94 121.20 118.16 1ixo s ILE 128 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 60.65 61.82 1ixo s ILE 128 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.42 1ixo s ILE 128 CO 0.00 0.12 1.10 -1.10 0.00 0.00 0.00 174.94 175.06 1ixo s GLN 129 N 1.63 4.20 0.04 2.79 -0.21 -0.72 -3.69 119.66 123.70 1ixo s GLN 129 Ca 0.36 1.36 -0.17 0.00 0.02 0.00 0.00 55.36 56.93 1ixo s GLN 129 Cb -0.17 -3.69 -0.06 0.00 1.00 0.00 0.00 33.01 30.09 1ixo s GLN 129 CO 0.14 -0.72 0.49 0.08 -2.12 0.00 0.00 175.29 173.16 1ixo s VAL 130 N 3.39 4.89 -0.06 1.09 1.01 -1.26 -1.95 120.40 127.51 1ixo s VAL 130 Ca 0.47 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.49 1ixo s VAL 130 Cb -0.16 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1ixo s VAL 130 CO 0.10 0.55 -0.15 -0.55 0.00 0.00 0.00 175.10 175.05 1ixo s SER 131 N -1.13 2.06 -0.33 3.32 0.15 0.57 -1.84 113.70 116.51 1ixo s SER 131 Ca 0.27 -0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 1ixo s SER 131 Cb -0.18 -0.82 -0.01 0.00 -1.71 0.00 0.00 66.02 63.30 1ixo s SER 131 CO 0.16 0.09 0.21 -0.76 1.20 0.00 0.00 173.24 174.14 1ixo s LEU 132 N 0.39 4.41 -0.36 3.45 1.43 -0.79 -0.53 118.68 126.68 1ixo s LEU 132 Ca -0.11 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1ixo s LEU 132 Cb -0.14 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1ixo s LEU 132 CO 0.04 -0.24 1.51 0.12 0.23 0.00 0.00 176.35 178.02 1ixo s PHE 133 N 1.68 2.25 0.14 0.29 5.36 -0.44 -1.92 117.98 125.35 1ixo s PHE 133 Ca 0.05 0.66 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 1ixo s PHE 133 Cb -0.17 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.27 1ixo s PHE 133 CO 0.09 -2.29 0.03 0.96 -1.46 0.00 0.00 175.22 172.55 1ixo s ILE 134 N 5.65 0.34 0.71 3.12 -4.36 -0.89 0.04 121.20 125.80 1ixo s ILE 134 Ca 0.66 -1.93 -0.11 0.00 -0.26 0.00 0.00 60.65 59.01 1ixo s ILE 134 Cb -0.17 -2.04 0.01 0.00 1.25 0.00 0.00 42.46 41.52 1ixo s ILE 134 CO 0.32 -0.51 1.07 -1.81 0.24 0.00 0.00 174.94 174.25 1ixo s ASP 135 N -3.09 5.35 -1.15 4.36 1.01 -1.26 -0.40 116.67 121.49 1ixo s ASP 135 Ca 0.23 1.42 -0.18 0.00 0.71 0.00 0.00 52.55 54.73 1ixo s ASP 135 Cb 0.07 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 1ixo s ASP 135 CO 0.02 -1.44 2.03 0.00 0.21 0.00 0.00 175.17 175.99 1ixo n ALA 136 N -3.11 4.12 -3.84 5.23 0.00 -1.26 -4.75 120.51 116.89 1ixo n ALA 136 Ca 0.07 -3.58 -0.26 0.00 0.00 0.00 0.00 53.44 49.67 1ixo n ALA 136 Cb 0.55 -3.58 -0.17 0.00 0.00 0.00 0.00 19.45 16.25 1ixo n ALA 136 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ixo s ASP 137 N 4.31 2.07 0.57 0.00 2.15 -1.26 -4.91 116.67 119.61 1ixo s ASP 137 Ca 0.54 -0.28 0.34 0.00 0.43 0.00 0.00 52.55 53.58 1ixo s ASP 137 Cb 0.12 -0.81 1.70 0.00 -0.30 0.00 0.00 42.92 43.63 1ixo s ASP 137 CO 0.03 -0.10 2.13 1.05 -0.17 0.00 0.00 175.17 178.10 1ixo h GLU 138 N 8.03 0.00 0.04 4.34 9.09 -1.95 0.60 114.58 134.72 1ixo h GLU 138 Ca -0.30 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.11 1ixo h GLU 138 Cb 1.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1ixo h GLU 138 CO 0.41 0.05 -0.02 1.49 0.05 0.00 0.00 179.01 180.99 1ixo h GLU 139 N 0.00 -0.05 -0.67 1.06 4.81 -1.96 0.30 114.58 118.07 1ixo h GLU 139 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ixo h GLU 139 Cb 0.31 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1ixo h GLU 139 CO 0.01 0.42 0.44 1.96 -0.73 0.00 0.00 179.01 181.10 1ixo h GLN 140 N -0.54 0.88 0.10 1.92 1.08 -1.81 -0.70 115.11 116.03 1ixo h GLN 140 Ca -0.01 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1ixo h GLN 140 Cb 0.49 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1ixo h GLN 140 CO 0.01 0.58 -0.05 0.82 -0.95 0.00 0.00 178.83 179.25 1ixo h ILE 141 N 0.90 0.91 -0.72 2.54 2.04 -0.81 0.33 117.51 122.70 1ixo h ILE 141 Ca 0.24 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 66.18 1ixo h ILE 141 Cb -0.10 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1ixo h ILE 141 CO -0.05 0.00 0.37 0.50 0.00 0.00 0.00 178.15 178.97 1ixo h LYS 142 N -0.14 0.60 -0.70 2.37 1.63 -0.08 -1.67 116.57 118.58 1ixo h LYS 142 Ca -0.01 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1ixo h LYS 142 Cb 0.11 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1ixo h LYS 142 CO 0.02 0.40 0.16 0.00 -3.45 0.00 0.00 179.45 176.58 1ixo h ALA 143 N 1.44 0.92 -0.85 5.00 0.00 -0.75 -1.75 119.26 123.26 1ixo h ALA 143 Ca 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ixo h ALA 143 Cb 0.38 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1ixo h ALA 143 CO -0.27 0.65 0.55 0.00 0.00 0.00 0.00 179.25 180.18 1ixo h ALA 144 N 1.08 1.08 -0.23 0.00 0.00 -0.04 0.31 119.26 121.45 1ixo h ALA 144 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ixo h ALA 144 Cb 0.39 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ixo h ALA 144 CO 0.00 0.50 0.07 0.00 0.00 0.00 0.00 179.25 179.83 1ixo h ALA 145 N 1.30 0.30 -0.41 0.00 0.00 -1.18 -2.79 119.26 116.48 1ixo h ALA 145 Ca 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ixo h ALA 145 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ixo h ALA 145 CO -0.06 -0.07 0.15 0.93 0.00 0.00 0.00 179.25 180.19 1ixo h GLU 146 N 0.20 0.59 0.00 0.00 5.08 -0.41 -1.76 114.58 118.28 1ixo h GLU 146 Ca 0.07 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ixo h GLU 146 Cb 0.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ixo h GLU 146 CO -0.00 0.51 0.00 1.33 -1.00 0.00 0.00 179.01 179.85 1ixo n VAL 147 N -4.36 0.60 0.00 3.13 0.24 1.00 -4.91 118.33 114.02 1ixo n VAL 147 Ca 0.03 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1ixo n VAL 147 Cb 0.16 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 1ixo n VAL 147 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ixo n GLY 148 N 0.68 0.69 3.73 7.63 0.00 -0.66 -4.56 105.19 112.69 1ixo n GLY 148 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ixo n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ixo s ALA 149 N -2.00 3.50 -0.16 4.61 0.00 -1.07 -4.92 121.76 121.71 1ixo s ALA 149 Ca 0.00 1.03 0.25 0.00 0.00 0.00 0.00 51.96 53.24 1ixo s ALA 149 Cb 0.00 -3.47 0.66 0.00 0.00 0.00 0.00 23.12 20.31 1ixo s ALA 149 CO 0.00 -0.50 1.72 -1.00 0.00 0.00 0.00 175.76 175.98 1ixo h PRO 150 N 5.89 0.00 -4.91 0.00 0.13 -1.89 -3.43 132.00 127.79 1ixo h PRO 150 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 1ixo h PRO 150 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1ixo h PRO 150 CO 0.79 0.11 -0.68 -0.06 -0.23 0.00 0.00 178.00 177.94 1ixo s PHE 151 N -3.37 1.28 0.08 1.56 0.40 -0.77 -1.75 117.98 115.41 1ixo s PHE 151 Ca 0.04 -0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 55.38 1ixo s PHE 151 Cb 0.07 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.87 1ixo s PHE 151 CO 0.64 -0.10 0.12 0.96 0.70 0.00 0.00 175.22 177.54 1ixo s ILE 152 N -3.53 0.17 -0.22 0.64 -4.36 -1.11 -1.88 121.20 110.91 1ixo s ILE 152 Ca 0.22 -1.36 -0.01 0.00 -0.26 0.00 0.00 60.65 59.24 1ixo s ILE 152 Cb 0.05 -1.38 0.06 0.00 1.25 0.00 0.00 42.46 42.45 1ixo s ILE 152 CO 0.04 -0.75 0.00 -0.70 0.24 0.00 0.00 174.94 173.76 1ixo s GLU 153 N -3.83 1.06 0.28 0.37 2.12 -0.81 -1.14 118.70 116.76 1ixo s GLU 153 Ca 0.05 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 1ixo s GLU 153 Cb 0.06 -2.31 -0.10 0.00 0.26 0.00 0.00 34.13 32.03 1ixo s GLU 153 CO -0.10 -0.64 1.33 0.42 -0.54 0.00 0.00 175.26 175.73 1ixo s ILE 154 N 1.65 2.85 -0.44 -3.70 1.01 0.62 -2.10 121.20 121.09 1ixo s ILE 154 Ca -0.03 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 1ixo s ILE 154 Cb -0.18 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1ixo s ILE 154 CO -0.08 0.15 1.31 -2.28 0.00 0.00 0.00 174.94 174.04 1ixo s HIS 155 N -0.54 2.55 -1.92 3.97 5.65 0.47 -2.82 115.29 122.65 1ixo s HIS 155 Ca 0.53 0.68 0.13 0.00 0.25 0.00 0.00 55.06 56.66 1ixo s HIS 155 Cb -0.39 -4.37 0.39 0.00 -1.18 0.00 0.00 32.58 27.03 1ixo s HIS 155 CO 0.46 -1.71 1.32 0.25 -0.65 0.00 0.00 174.74 174.41 1ixo n THR 156 N 7.00 0.65 0.07 0.89 -2.24 -0.88 -4.44 114.28 115.32 1ixo n THR 156 Ca 0.15 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1ixo n THR 156 Cb 0.48 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.90 1ixo n THR 156 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ixo h GLY 157 N 5.01 -0.09 1.42 3.38 0.00 -1.74 -1.67 103.07 109.36 1ixo h GLY 157 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1ixo h GLY 157 CO 0.02 -0.03 0.27 0.00 0.00 0.00 0.00 176.54 176.79 1ixo h TYR 159 N 0.77 0.79 -0.10 0.00 3.20 -1.81 -2.44 116.97 117.38 1ixo h TYR 159 Ca 0.19 -0.07 -0.21 0.00 3.14 0.00 0.00 58.73 61.79 1ixo h TYR 159 Cb 0.07 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1ixo h TYR 159 CO 0.01 0.67 -0.79 0.00 -1.64 0.00 0.00 178.16 176.41 1ixo h ALA 160 N 1.39 0.44 -0.07 1.82 0.00 -0.29 -3.12 119.26 119.44 1ixo h ALA 160 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ixo h ALA 160 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ixo h ALA 160 CO -0.00 0.73 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 1ixo n ASP 161 N -3.87 0.57 -4.57 0.00 8.00 -0.45 -4.90 116.55 111.34 1ixo n ASP 161 Ca -0.06 -1.62 -0.53 0.00 0.71 0.00 0.00 54.79 53.29 1ixo n ASP 161 Cb 0.74 -0.04 -0.07 0.00 -0.02 0.00 0.00 41.12 41.73 1ixo n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ixo n ALA 162 N -0.36 0.53 0.46 2.24 0.00 -0.94 -4.83 120.51 117.62 1ixo n ALA 162 Ca 0.12 0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1ixo n ALA 162 Cb 0.14 -2.40 0.33 0.00 0.00 0.00 0.00 19.45 17.53 1ixo n ALA 162 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ixo h LYS 163 N 9.84 0.00 -4.80 0.00 1.57 -1.90 -3.46 116.57 117.83 1ixo h LYS 163 Ca -0.36 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.08 1ixo h LYS 163 Cb 1.32 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.40 1ixo h LYS 163 CO 0.99 0.00 -0.76 0.95 -0.57 0.00 0.00 179.45 180.07 1ixo s THR 164 N -3.17 0.72 0.54 -0.16 -4.23 -1.26 -5.01 115.64 103.08 1ixo s THR 164 Ca 0.09 -0.95 0.28 0.00 -1.18 0.00 0.00 61.69 59.93 1ixo s THR 164 Cb 0.09 -0.72 0.42 0.00 1.34 0.00 0.00 72.50 73.64 1ixo s THR 164 CO 0.61 -0.19 1.95 0.44 -0.54 0.00 0.00 174.62 176.89 1ixo h ASP 165 N 4.83 0.00 0.13 3.99 5.19 -1.99 -0.21 116.42 128.36 1ixo h ASP 165 Ca -0.36 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 1ixo h ASP 165 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1ixo h ASP 165 CO 0.43 0.00 -0.06 0.00 -3.12 0.00 0.00 179.24 176.49 1ixo h ALA 166 N 1.63 -0.18 -0.94 3.45 0.00 -1.97 0.53 119.26 121.79 1ixo h ALA 166 Ca 0.30 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1ixo h ALA 166 Cb 1.24 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 1ixo h ALA 166 CO -0.00 -0.32 0.60 1.05 0.00 0.00 0.00 179.25 180.58 1ixo h GLU 167 N -0.74 0.78 0.41 0.00 4.11 -1.59 -0.03 114.58 117.53 1ixo h GLU 167 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 1ixo h GLU 167 Cb 0.53 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ixo h GLU 167 CO 0.03 0.52 -0.20 0.37 0.07 0.00 0.00 179.01 179.80 1ixo h GLN 168 N 0.81 -0.53 -0.85 1.06 4.15 -0.98 0.13 115.11 118.90 1ixo h GLN 168 Ca 0.48 0.04 0.13 0.00 0.77 0.00 0.00 58.65 60.06 1ixo h GLN 168 Cb 0.65 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.38 1ixo h GLN 168 CO -0.24 -0.24 0.46 0.00 -1.93 0.00 0.00 178.83 176.88 1ixo h ALA 169 N -0.29 1.26 -0.66 3.38 0.00 -0.23 0.18 119.26 122.89 1ixo h ALA 169 Ca -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ixo h ALA 169 Cb 0.53 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ixo h ALA 169 CO 0.09 -0.01 0.12 0.37 0.00 0.00 0.00 179.25 179.82 1ixo h GLN 170 N 0.70 1.07 -0.28 0.00 4.15 -0.85 -1.39 115.11 118.52 1ixo h GLN 170 Ca 0.44 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 1ixo h GLN 170 Cb 0.55 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1ixo h GLN 170 CO -0.32 0.97 -0.37 0.93 -1.93 0.00 0.00 178.83 178.11 1ixo h GLU 171 N 1.01 0.65 0.46 1.69 4.39 0.11 -2.47 114.58 120.41 1ixo h GLU 171 Ca 0.20 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1ixo h GLU 171 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1ixo h GLU 171 CO 0.01 0.92 -0.22 1.25 -1.16 0.00 0.00 179.01 179.81 1ixo h LEU 172 N 0.54 -0.52 -1.27 1.33 6.46 -0.49 -1.79 115.31 119.56 1ixo h LEU 172 Ca 0.05 -0.03 0.16 0.00 -0.12 0.00 0.00 57.88 57.94 1ixo h LEU 172 Cb 0.89 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.88 1ixo h LEU 172 CO 0.08 -0.30 0.59 0.00 -0.62 0.00 0.00 178.44 178.18 1ixo h ALA 173 N -0.20 1.85 -0.04 1.25 0.00 -1.26 0.11 119.26 120.98 1ixo h ALA 173 Ca -0.06 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1ixo h ALA 173 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ixo h ALA 173 CO 0.10 -0.12 -0.55 -0.09 0.00 0.00 0.00 179.25 178.60 1ixo h ARG 174 N 0.68 0.11 -0.03 0.00 2.43 -1.13 -1.16 114.38 115.28 1ixo h ARG 174 Ca 0.47 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1ixo h ARG 174 Cb 0.79 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1ixo h ARG 174 CO -0.23 0.63 -0.37 0.82 -1.51 0.00 0.00 179.97 179.31 1ixo h ILE 175 N 0.08 1.47 -0.34 1.20 2.04 -0.03 -2.63 117.51 119.30 1ixo h ILE 175 Ca -0.00 -1.90 0.05 0.00 1.00 0.00 0.00 64.86 64.01 1ixo h ILE 175 Cb 1.00 2.56 -0.05 0.00 -0.74 0.00 0.00 36.82 39.59 1ixo h ILE 175 CO 0.08 0.54 0.05 0.00 0.00 0.00 0.00 178.15 178.82 1ixo h ALA 176 N 0.34 0.35 -0.54 1.87 0.00 -0.80 0.37 119.26 120.85 1ixo h ALA 176 Ca -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1ixo h ALA 176 Cb 1.08 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1ixo h ALA 176 CO 0.07 -0.35 -0.00 0.87 0.00 0.00 0.00 179.25 179.84 1ixo h LYS 177 N 0.16 0.93 -0.56 0.00 1.57 -1.29 -1.45 116.57 115.93 1ixo h LYS 177 Ca 0.16 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1ixo h LYS 177 Cb 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1ixo h LYS 177 CO -0.23 0.92 0.25 0.00 -0.57 0.00 0.00 179.45 179.83 1ixo h ALA 178 N 1.13 0.73 -0.28 3.86 0.00 -0.98 0.46 119.26 124.19 1ixo h ALA 178 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ixo h ALA 178 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ixo h ALA 178 CO 0.03 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.77 1ixo h ALA 179 N 1.09 0.35 -0.74 0.00 0.00 0.10 0.27 119.26 120.33 1ixo h ALA 179 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1ixo h ALA 179 Cb 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ixo h ALA 179 CO -0.02 -0.17 0.28 1.15 0.00 0.00 0.00 179.25 180.48 1ixo h THR 180 N 0.37 1.25 -0.45 0.00 2.02 -0.96 -0.08 112.91 115.07 1ixo h THR 180 Ca 0.10 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 1ixo h THR 180 Cb -0.03 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1ixo h THR 180 CO -0.02 0.33 -0.06 0.15 0.37 0.00 0.00 175.52 176.29 1ixo h PHE 181 N 1.08 0.92 -0.04 3.16 3.57 -0.49 -2.25 116.94 122.90 1ixo h PHE 181 Ca 0.25 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1ixo h PHE 181 Cb 0.24 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1ixo h PHE 181 CO 0.02 0.91 -0.11 0.00 -2.23 0.00 0.00 178.31 176.90 1ixo h ALA 182 N 0.88 -0.09 -0.79 2.41 0.00 0.14 -2.71 119.26 119.11 1ixo h ALA 182 Ca 0.12 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1ixo h ALA 182 Cb 0.58 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1ixo h ALA 182 CO 0.03 -0.59 0.48 0.00 0.00 0.00 0.00 179.25 179.18 1ixo h ALA 183 N 0.84 1.08 0.00 0.00 0.00 -0.95 -1.36 119.26 118.86 1ixo h ALA 183 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ixo h ALA 183 Cb 0.24 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ixo h ALA 183 CO -0.14 0.21 -0.04 0.66 0.00 0.00 0.00 179.25 179.95 1ixo h SER 184 N 0.89 0.00 -0.07 0.00 4.64 -1.09 0.18 113.55 118.11 1ixo h SER 184 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ixo h SER 184 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ixo h SER 184 CO -0.17 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.01 1ixo n LEU 185 N -3.81 1.02 0.00 5.97 4.32 -0.56 -4.90 117.00 119.04 1ixo n LEU 185 Ca -0.03 -0.39 0.00 0.00 -0.02 0.00 0.00 56.01 55.57 1ixo n LEU 185 Cb 0.13 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1ixo n LEU 185 CO 0.29 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 1ixo n GLY 186 N 1.05 0.72 3.77 -0.72 0.00 0.65 -5.00 105.19 105.66 1ixo n GLY 186 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ixo n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixo s LEU 187 N 0.00 4.42 0.07 0.99 1.43 -0.93 -4.98 118.68 119.68 1ixo s LEU 187 Ca 0.00 1.92 -0.22 0.00 -1.03 0.00 0.00 54.13 54.80 1ixo s LEU 187 Cb 0.00 -3.90 -0.06 0.00 0.03 0.00 0.00 46.19 42.26 1ixo s LEU 187 CO 0.00 -0.05 0.65 -0.54 0.23 0.00 0.00 176.35 176.64 1ixo s LYS 188 N -1.83 4.36 -0.14 1.70 1.02 -0.72 -4.00 119.74 120.14 1ixo s LYS 188 Ca 0.48 0.89 0.02 0.00 0.02 0.00 0.00 55.97 57.38 1ixo s LYS 188 Cb -0.22 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1ixo s LYS 188 CO 0.27 0.50 -0.22 0.54 -0.92 0.00 0.00 175.35 175.52 1ixo s VAL 189 N -0.71 2.06 0.47 3.17 0.11 -1.26 -2.75 120.40 121.49 1ixo s VAL 189 Ca 0.33 -0.98 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 1ixo s VAL 189 Cb -0.20 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 1ixo s VAL 189 CO 0.21 0.55 0.38 0.20 -3.33 0.00 0.00 175.10 173.11 1ixo s ASN 190 N 0.84 4.80 -0.03 3.54 0.01 -0.29 0.05 114.94 123.86 1ixo s ASN 190 Ca -0.06 -0.99 -0.27 0.00 -0.71 0.00 0.00 52.86 50.82 1ixo s ASN 190 Cb -0.15 -0.13 0.06 0.00 0.41 0.00 0.00 41.25 41.43 1ixo s ASN 190 CO -0.03 -0.85 0.60 0.00 -1.51 0.00 0.00 177.10 175.31 1ixo s ALA 191 N -2.62 -1.55 0.00 0.60 0.00 -0.93 -0.27 121.76 117.00 1ixo s ALA 191 Ca 0.42 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1ixo s ALA 191 Cb -0.02 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1ixo s ALA 191 CO 0.25 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1ixo n GLY 192 N 0.90 0.03 0.00 0.00 0.00 -1.13 -1.19 105.19 103.80 1ixo n GLY 192 Ca -0.19 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1ixo n GLY 192 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ixo n HIS 193 N -0.14 0.00 -0.92 1.61 8.25 -1.24 -2.08 115.22 120.70 1ixo n HIS 193 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ixo n HIS 193 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ixo n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ixo n GLY 194 N 2.90 0.55 3.77 -1.41 0.00 -1.26 -3.16 105.19 106.57 1ixo n GLY 194 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ixo n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ixo s LEU 195 N 0.00 4.41 0.38 0.99 1.43 -1.26 -4.80 118.68 119.82 1ixo s LEU 195 Ca 0.00 2.52 0.04 0.00 -1.03 0.00 0.00 54.13 55.65 1ixo s LEU 195 Cb 0.00 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1ixo s LEU 195 CO 0.00 -0.47 0.13 0.42 0.23 0.00 0.00 176.35 176.66 1ixo s THR 196 N -1.20 0.62 0.14 5.49 -4.23 -1.26 -4.49 115.64 110.72 1ixo s THR 196 Ca 0.50 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.35 1ixo s THR 196 Cb -0.36 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.40 1ixo s THR 196 CO 0.47 0.00 2.02 1.88 -0.54 0.00 0.00 174.62 178.45 1ixo h TYR 197 N 1.92 0.00 0.00 3.99 -1.99 -1.95 -0.74 116.97 118.20 1ixo h TYR 197 Ca -0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.38 1ixo h TYR 197 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 1ixo h TYR 197 CO 1.29 0.00 -1.25 0.72 -0.00 0.00 0.00 178.16 178.92 1ixo n HIS 198 N -2.84 0.00 -0.05 4.88 8.25 -1.26 -4.49 115.22 119.71 1ixo n HIS 198 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1ixo n HIS 198 Cb 0.19 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1ixo n HIS 198 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ixo n ASN 199 N -1.69 1.10 -0.06 0.41 2.04 -1.04 -4.76 115.26 111.25 1ixo n ASN 199 Ca 0.02 -1.15 -0.07 0.00 -0.44 0.00 0.00 54.58 52.93 1ixo n ASN 199 Cb 0.39 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.74 1ixo n ASN 199 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 1ixo h VAL 200 N 0.07 1.28 -0.34 3.53 3.04 -1.37 -3.33 116.25 119.13 1ixo h VAL 200 Ca 0.00 -1.39 0.08 0.00 -1.01 0.00 0.00 66.70 64.38 1ixo h VAL 200 Cb 0.11 1.31 -0.08 0.00 -2.01 0.00 0.00 31.29 30.61 1ixo h VAL 200 CO 0.00 0.46 -0.19 0.11 -1.01 0.00 0.00 177.57 176.94 1ixo h LYS 201 N 0.61 -0.13 -0.74 4.17 1.57 -1.86 -0.54 116.57 119.65 1ixo h LYS 201 Ca 0.08 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1ixo h LYS 201 Cb 0.77 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1ixo h LYS 201 CO 0.06 -0.09 0.49 0.00 -0.57 0.00 0.00 179.45 179.35 1ixo h ALA 202 N 1.10 1.95 0.11 3.86 0.00 -1.93 -0.65 119.26 123.69 1ixo h ALA 202 Ca 0.17 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 1ixo h ALA 202 Cb 0.40 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ixo h ALA 202 CO -0.43 -0.13 -1.07 0.82 0.00 0.00 0.00 179.25 178.44 1ixo h ILE 203 N 0.54 1.34 0.00 0.00 1.08 -1.50 -3.28 117.51 115.69 1ixo h ILE 203 Ca 0.35 -2.41 -0.04 0.00 -0.39 0.00 0.00 64.86 62.37 1ixo h ILE 203 Cb 0.64 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 1ixo h ILE 203 CO -0.12 0.72 -0.20 0.00 -0.69 0.00 0.00 178.15 177.85 1ixo h ALA 204 N 0.25 1.53 0.00 1.87 0.00 -0.51 -2.06 119.26 120.34 1ixo h ALA 204 Ca -0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ixo h ALA 204 Cb 1.78 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1ixo h ALA 204 CO 0.21 0.26 -0.04 0.00 0.00 0.00 0.00 179.25 179.68 1ixo h ALA 205 N 1.80 1.02 -2.03 0.00 0.00 -1.20 -3.41 119.26 115.44 1ixo h ALA 205 Ca -0.00 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.31 1ixo h ALA 205 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ixo h ALA 205 CO 0.03 0.04 1.25 0.42 0.00 0.00 0.00 179.25 181.00 1ixo s ILE 206 N -3.77 3.41 0.27 0.00 1.01 -0.78 -4.89 121.20 116.45 1ixo s ILE 206 Ca -0.00 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.10 1ixo s ILE 206 Cb 0.10 -3.45 0.26 0.00 0.01 0.00 0.00 42.46 39.38 1ixo s ILE 206 CO 0.54 -0.22 1.78 -0.65 0.00 0.00 0.00 174.94 176.39 1ixo h PRO 207 N 12.14 0.70 0.00 2.79 0.11 -1.88 -2.65 132.00 143.21 1ixo h PRO 207 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ixo h PRO 207 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ixo h PRO 207 CO 0.99 0.46 0.00 0.39 -0.21 0.00 0.00 178.00 179.63 1ixo n GLU 208 N -4.80 0.09 -2.03 1.05 4.71 -1.26 -4.80 120.64 113.60 1ixo n GLU 208 Ca 0.19 0.31 -0.42 0.00 -0.01 0.00 0.00 57.16 57.23 1ixo n GLU 208 Cb 0.44 -1.67 -0.03 0.00 -1.01 0.00 0.00 31.44 29.18 1ixo n GLU 208 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1ixo s MET 209 N -3.14 4.27 -0.20 3.49 -1.94 -1.00 -4.11 119.30 116.66 1ixo s MET 209 Ca 0.06 2.25 -0.16 0.00 -1.71 0.00 0.00 55.69 56.14 1ixo s MET 209 Cb 0.10 -3.17 -0.09 0.00 2.01 0.00 0.00 34.83 33.69 1ixo s MET 209 CO 0.35 -0.49 -0.26 1.58 -0.01 0.00 0.00 175.02 176.19 1ixo n HIS 210 N 3.44 0.28 -3.82 -0.03 -0.00 0.11 -4.88 115.22 110.32 1ixo n HIS 210 Ca 0.11 0.12 -0.13 0.00 0.46 0.00 0.00 57.72 58.28 1ixo n HIS 210 Cb 0.40 -0.76 -0.14 0.00 -0.12 0.00 0.00 29.99 29.38 1ixo n HIS 210 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1ixo s GLU 211 N -2.62 0.07 -0.13 1.57 2.12 -1.26 -1.04 118.70 117.42 1ixo s GLU 211 Ca -0.29 0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 1ixo s GLU 211 Cb 0.07 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 1ixo s GLU 211 CO 0.43 -0.05 0.10 -0.51 -0.54 0.00 0.00 175.26 174.69 1ixo s LEU 212 N 0.32 4.14 -0.25 2.70 1.43 -0.75 -2.19 118.68 124.10 1ixo s LEU 212 Ca -0.02 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1ixo s LEU 212 Cb -0.04 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1ixo s LEU 212 CO -0.01 0.35 -0.02 0.20 0.23 0.00 0.00 176.35 177.10 1ixo s ASN 213 N -0.69 4.51 -0.06 2.29 0.01 -0.33 -0.15 114.94 120.52 1ixo s ASN 213 Ca 0.13 -0.60 0.03 0.00 -0.71 0.00 0.00 52.86 51.71 1ixo s ASN 213 Cb -0.12 -1.75 0.01 0.00 0.41 0.00 0.00 41.25 39.80 1ixo s ASN 213 CO 0.03 -0.09 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.76 1ixo s ILE 214 N 1.44 1.19 0.00 0.60 1.01 -0.51 -3.63 121.20 121.30 1ixo s ILE 214 Ca 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1ixo s ILE 214 Cb -0.16 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1ixo s ILE 214 CO -0.02 0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1ixo n GLY 215 N 3.60 0.39 0.36 6.18 0.00 -1.26 -1.07 105.19 113.38 1ixo n GLY 215 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1ixo n GLY 215 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ixo h HIS 216 N 0.00 -0.97 -0.83 1.61 -0.00 -1.93 -1.10 115.15 111.93 1ixo h HIS 216 Ca 0.00 0.09 0.11 0.00 -0.00 0.00 0.00 60.37 60.57 1ixo h HIS 216 Cb 0.00 0.54 -0.06 0.00 -0.00 0.00 0.00 27.41 27.89 1ixo h HIS 216 CO 0.00 -0.39 0.54 0.00 -0.00 0.00 0.00 177.93 178.08 1ixo h ALA 217 N 1.23 1.79 -0.20 5.26 0.00 -1.93 0.11 119.26 125.51 1ixo h ALA 217 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1ixo h ALA 217 Cb 0.58 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ixo h ALA 217 CO -0.83 0.01 -0.24 0.82 0.00 0.00 0.00 179.25 179.01 1ixo h ILE 218 N 0.72 1.33 -0.21 0.00 2.04 -1.54 -1.21 117.51 118.63 1ixo h ILE 218 Ca 0.40 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1ixo h ILE 218 Cb 0.56 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1ixo h ILE 218 CO -0.16 0.44 -0.22 0.40 0.00 0.00 0.00 178.15 178.60 1ixo h ILE 219 N 0.19 1.24 -0.15 -0.67 1.08 -0.85 0.10 117.51 118.45 1ixo h ILE 219 Ca 0.03 -1.13 -0.09 0.00 -0.39 0.00 0.00 64.86 63.27 1ixo h ILE 219 Cb 0.80 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1ixo h ILE 219 CO 0.06 0.36 -0.31 1.23 -0.69 0.00 0.00 178.15 178.79 1ixo h GLY 220 N 0.97 0.32 1.79 5.37 0.00 -0.68 -2.15 103.07 108.69 1ixo h GLY 220 Ca 0.06 -0.27 -0.24 0.00 0.00 0.00 0.00 47.33 46.88 1ixo h GLY 220 CO 0.04 0.24 -1.08 -0.09 0.00 0.00 0.00 176.54 175.65 1ixo h ARG 221 N 0.26 0.16 -0.59 4.80 9.65 -0.56 -3.35 114.38 124.76 1ixo h ARG 221 Ca 0.03 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1ixo h ARG 221 Cb 0.69 0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 1ixo h ARG 221 CO 0.05 1.09 0.38 0.00 2.80 0.00 0.00 179.97 184.28 1ixo h ALA 222 N 0.81 0.74 0.00 2.80 0.00 -0.21 -0.83 119.26 122.58 1ixo h ALA 222 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ixo h ALA 222 Cb 1.80 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ixo h ALA 222 CO 0.16 0.20 0.06 -0.39 0.00 0.00 0.00 179.25 179.28 1ixo h VAL 223 N 0.79 0.00 0.00 0.00 -1.51 -1.55 1.08 116.25 115.06 1ixo h VAL 223 Ca 0.21 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.66 1ixo h VAL 223 Cb -0.07 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1ixo h VAL 223 CO -0.04 0.00 -0.78 0.23 -1.23 0.00 0.00 177.57 175.75 1ixo n MET 224 N -2.75 0.49 0.00 5.19 2.00 -0.61 -4.69 117.12 116.75 1ixo n MET 224 Ca -0.02 0.41 0.12 0.00 0.00 0.00 0.00 57.70 58.20 1ixo n MET 224 Cb 0.11 -1.60 0.13 0.00 0.00 0.00 0.00 33.22 31.86 1ixo n MET 224 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ixo n THR 225 N -4.54 0.00 0.00 2.03 -2.24 -0.42 -5.08 114.28 104.03 1ixo n THR 225 Ca -0.12 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1ixo n THR 225 Cb 0.39 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1ixo n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ixo n GLY 226 N 1.42 -0.17 0.21 3.38 0.00 0.37 -4.60 105.19 105.80 1ixo n GLY 226 Ca 0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 1ixo n GLY 226 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ixo h LEU 227 N 0.00 -0.04 -0.05 0.99 6.46 -1.91 -2.63 115.31 118.12 1ixo h LEU 227 Ca 0.00 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1ixo h LEU 227 Cb 0.00 0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 1ixo h LEU 227 CO 0.00 0.00 -0.25 0.50 -0.62 0.00 0.00 178.44 178.07 1ixo h LYS 228 N 0.22 -0.35 0.00 1.25 3.64 -1.88 -0.05 116.57 119.39 1ixo h LYS 228 Ca 0.27 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1ixo h LYS 228 Cb 0.38 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1ixo h LYS 228 CO -0.37 -0.23 -0.30 -0.44 -2.27 0.00 0.00 179.45 175.84 1ixo h ASP 229 N -0.36 0.00 -0.23 4.20 3.32 -1.80 -1.34 116.42 120.21 1ixo h ASP 229 Ca 0.08 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1ixo h ASP 229 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1ixo h ASP 229 CO -0.26 0.30 -0.35 0.00 -1.72 0.00 0.00 179.24 177.21 1ixo h ALA 230 N 1.70 0.76 0.02 3.45 0.00 -0.91 -0.68 119.26 123.60 1ixo h ALA 230 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1ixo h ALA 230 Cb 0.63 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ixo h ALA 230 CO 0.04 0.65 -0.64 0.28 0.00 0.00 0.00 179.25 179.59 1ixo h VAL 231 N 0.63 1.44 -0.63 0.00 2.07 -0.82 -2.97 116.25 115.97 1ixo h VAL 231 Ca 0.06 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1ixo h VAL 231 Cb 0.89 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.31 1ixo h VAL 231 CO 0.08 0.62 0.39 0.00 0.02 0.00 0.00 177.57 178.69 1ixo h ALA 232 N 0.28 0.80 -0.40 1.67 0.00 -0.68 -0.88 119.26 120.06 1ixo h ALA 232 Ca -0.09 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1ixo h ALA 232 Cb 1.36 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1ixo h ALA 232 CO 0.12 0.26 0.06 0.93 0.00 0.00 0.00 179.25 180.63 1ixo h GLU 233 N 0.85 0.18 -0.04 0.00 4.39 -1.18 -0.82 114.58 117.96 1ixo h GLU 233 Ca 0.23 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ixo h GLU 233 Cb -0.05 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1ixo h GLU 233 CO -0.05 0.12 0.02 1.98 -1.16 0.00 0.00 179.01 179.92 1ixo h MET 234 N 0.19 0.06 -0.65 2.33 4.05 -1.26 -1.63 114.93 118.01 1ixo h MET 234 Ca 0.19 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 1ixo h MET 234 Cb 0.24 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.98 1ixo h MET 234 CO -0.27 0.16 0.36 -0.22 0.23 0.00 0.00 176.91 177.18 1ixo h LYS 235 N -0.06 0.66 -0.59 0.39 1.63 -0.92 -1.05 116.57 116.63 1ixo h LYS 235 Ca 0.01 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1ixo h LYS 235 Cb 0.12 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 1ixo h LYS 235 CO -0.00 0.43 0.37 -0.09 -3.45 0.00 0.00 179.45 176.72 1ixo h ARG 236 N 0.68 0.72 -0.40 1.90 2.43 -0.92 0.53 114.38 119.31 1ixo h ARG 236 Ca 0.29 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1ixo h ARG 236 Cb 0.16 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1ixo h ARG 236 CO -0.17 0.48 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.67 1ixo h LEU 237 N 0.75 0.63 -0.37 3.80 3.38 -0.82 -0.07 115.31 122.61 1ixo h LEU 237 Ca 0.23 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1ixo h LEU 237 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ixo h LEU 237 CO -0.08 0.72 -0.04 0.24 0.09 0.00 0.00 178.44 179.36 1ixo h MET 238 N 0.62 0.67 0.00 1.13 2.86 -0.13 -2.22 114.93 117.86 1ixo h MET 238 Ca 0.12 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 1ixo h MET 238 Cb 0.43 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1ixo h MET 238 CO 0.02 0.80 -0.62 -0.07 1.06 0.00 0.00 176.91 178.11 1ixo h LEU 239 N 0.48 0.00 -0.83 1.22 3.38 -0.73 -2.89 115.31 115.94 1ixo h LEU 239 Ca 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ixo h LEU 239 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ixo h LEU 239 CO 0.03 0.62 0.19 -0.33 0.09 0.00 0.00 178.44 179.03 1ixo h GLU 240 N 0.00 1.06 -0.71 1.13 5.08 -0.83 -1.55 114.58 118.77 1ixo h GLU 240 Ca -0.01 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1ixo h GLU 240 Cb 1.16 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1ixo h GLU 240 CO 0.08 0.92 0.25 0.00 -1.00 0.00 0.00 179.01 179.26 1ixo h ALA 241 N 1.19 1.12 0.00 3.43 0.00 -1.21 -2.26 119.26 121.52 1ixo h ALA 241 Ca 0.22 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1ixo h ALA 241 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ixo h ALA 241 CO -0.00 0.62 -0.53 0.00 0.00 0.00 0.00 179.25 179.34 1ixo h ARG 242 N 1.03 0.00 0.00 0.00 2.47 -1.29 -3.41 114.38 113.18 1ixo h ARG 242 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1ixo h ARG 242 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1ixo h ARG 242 CO -0.01 0.53 0.00 0.41 0.56 0.00 0.00 179.97 181.45