#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 1.78 -2.62 0.00 0.00 -1.26 -4.94 120.64 113.61 1ixo n GLU 3 Ca 0.00 0.65 -0.42 0.00 0.00 0.00 0.00 57.16 57.39 1ixo n GLU 3 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 31.44 29.00 1ixo n GLU 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1ixo s LEU 4 N 2.56 4.37 0.15 4.31 0.20 -1.26 -4.97 118.68 124.04 1ixo s LEU 4 Ca 0.89 1.78 0.01 0.00 0.69 0.00 0.00 54.13 57.50 1ixo s LEU 4 Cb -0.81 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 41.34 1ixo s LEU 4 CO 0.50 -0.33 0.31 -0.76 -0.29 0.00 0.00 176.35 175.79 1ixo s LEU 5 N 1.01 4.30 -0.21 -0.68 1.43 -0.71 -4.98 118.68 118.85 1ixo s LEU 5 Ca 0.54 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1ixo s LEU 5 Cb -0.24 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 42.98 1ixo s LEU 5 CO 0.28 0.04 -0.13 -0.22 0.23 0.00 0.00 176.35 176.55 1ixo s LEU 6 N -3.14 2.61 -0.22 1.79 2.96 -1.26 -1.67 118.68 119.75 1ixo s LEU 6 Ca 0.36 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 1ixo s LEU 6 Cb -0.11 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1ixo s LEU 6 CO 0.28 -0.05 0.07 -0.83 -1.32 0.00 0.00 176.35 174.51 1ixo s GLY 7 N 1.32 1.84 -0.21 7.98 0.00 -0.44 0.50 107.32 118.31 1ixo s GLY 7 Ca 0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 43.71 1ixo s GLY 7 CO -0.09 0.30 0.16 0.14 0.00 0.00 0.00 173.10 173.60 1ixo s VAL 8 N 0.99 5.38 -0.31 1.40 1.01 -0.63 -1.32 120.40 126.93 1ixo s VAL 8 Ca 0.04 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 1ixo s VAL 8 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1ixo s VAL 8 CO 0.03 0.40 0.31 0.21 0.00 0.00 0.00 175.10 176.05 1ixo s ASN 9 N 0.65 6.15 -0.14 3.32 3.84 0.88 -0.51 114.94 129.14 1ixo s ASN 9 Ca 0.08 -0.04 0.17 0.00 0.21 0.00 0.00 52.86 53.29 1ixo s ASN 9 Cb -0.12 -2.18 0.74 0.00 -0.55 0.00 0.00 41.25 39.14 1ixo s ASN 9 CO 0.01 -0.21 1.65 2.30 -2.79 0.00 0.00 177.10 178.06 1ixo n ILE 10 N 5.15 2.04 -0.27 -5.21 -5.35 -1.03 -4.27 119.36 110.43 1ixo n ILE 10 Ca -0.10 -1.26 0.07 0.00 -0.27 0.00 0.00 62.75 61.18 1ixo n ILE 10 Cb 0.50 0.04 0.21 0.00 -1.74 0.00 0.00 39.64 38.65 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 4.01 0.23 0.18 7.28 3.32 -1.93 -0.66 116.42 128.85 1ixo h ASP 11 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ixo h ASP 11 Cb 1.56 0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.23 1ixo h ASP 11 CO 0.28 0.05 0.00 1.41 -1.72 0.00 0.00 179.24 179.27 1ixo n HIS 12 N -5.05 0.00 -0.00 4.55 8.25 -1.26 -1.03 115.22 120.68 1ixo n HIS 12 Ca 0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.45 1ixo n HIS 12 Cb 0.47 -0.20 -0.12 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 1.53 -0.32 1.59 1.08 -1.47 -2.74 117.51 117.18 1ixo h ILE 13 Ca 0.00 -2.19 -0.05 0.00 -0.39 0.00 0.00 64.86 62.23 1ixo h ILE 13 Cb 0.09 2.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.73 1ixo h ILE 13 CO 0.00 0.61 -0.01 0.00 -0.69 0.00 0.00 178.15 178.06 1ixo h ALA 14 N 0.20 1.38 -0.66 1.87 0.00 -1.14 -1.49 119.26 119.43 1ixo h ALA 14 Ca -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ixo h ALA 14 Cb 1.26 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ixo h ALA 14 CO 0.09 0.43 0.43 1.15 0.00 0.00 0.00 179.25 181.35 1ixo h THR 15 N 0.48 1.13 -0.33 0.00 2.02 -1.21 0.31 112.91 115.31 1ixo h THR 15 Ca 0.10 -0.29 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 1ixo h THR 15 Cb 0.33 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1ixo h THR 15 CO 0.01 0.16 -0.36 0.25 0.37 0.00 0.00 175.52 175.95 1ixo h LEU 16 N 0.85 0.80 0.48 2.58 5.85 -1.10 -3.04 115.31 121.74 1ixo h LEU 16 Ca 0.25 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ixo h LEU 16 Cb -0.05 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1ixo h LEU 16 CO -0.07 1.08 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.78 1ixo h ARG 17 N 0.63 -0.63 0.00 1.25 2.43 -0.44 -3.12 114.38 114.51 1ixo h ARG 17 Ca 0.06 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1ixo h ARG 17 Cb 0.90 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1ixo h ARG 17 CO 0.08 -0.32 0.05 0.09 -1.51 0.00 0.00 179.97 178.36 1ixo n ASN 18 N -5.27 0.30 0.00 -3.80 4.13 1.00 -1.87 115.26 109.75 1ixo n ASN 18 Ca -0.11 0.61 0.12 0.00 1.68 0.00 0.00 54.58 56.88 1ixo n ASN 18 Cb 0.31 -0.64 0.67 0.00 -1.54 0.00 0.00 39.78 38.58 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 -1.62 2.33 -1.32 5.41 0.00 -1.15 -3.69 120.51 120.47 1ixo n ALA 19 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ixo n ALA 19 Cb 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.05 0.00 -0.88 0.00 3.00 -0.78 -5.02 116.66 111.92 1ixo n ARG 20 Ca 0.16 -0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 1ixo n ARG 20 Cb 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 32.46 32.22 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 0.00 0.21 3.97 5.14 0.00 -1.21 -4.99 105.19 108.32 1ixo n GLY 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.52 2.06 -0.48 2.61 -4.23 -1.26 -5.02 115.64 107.81 1ixo s THR 22 Ca 0.00 -0.38 0.23 0.00 -1.18 0.00 0.00 61.69 60.36 1ixo s THR 22 Cb 0.00 -2.69 -0.11 0.00 1.34 0.00 0.00 72.50 71.05 1ixo s THR 22 CO 0.00 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 175.06 1ixo n ALA 23 N -3.20 3.14 -2.82 3.99 0.00 -1.26 -4.73 120.51 115.63 1ixo n ALA 23 Ca 0.15 -0.38 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 1ixo n ALA 23 Cb 0.60 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.26 3.35 0.43 0.00 -0.85 -1.26 -3.65 117.35 112.11 1ixo s TYR 24 Ca 0.02 0.21 -0.21 0.00 -0.52 0.00 0.00 57.07 56.57 1ixo s TYR 24 Cb 0.13 -1.73 -0.10 0.00 0.38 0.00 0.00 41.96 40.64 1ixo s TYR 24 CO 0.81 0.57 0.97 -1.25 -1.52 0.00 0.00 175.55 175.12 1ixo s PRO 25 N -2.04 4.18 -0.25 -3.49 0.04 -1.26 -4.41 135.00 127.78 1ixo s PRO 25 Ca 0.27 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1ixo s PRO 25 Cb -0.12 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1ixo s PRO 25 CO 0.19 -0.08 0.44 0.34 0.04 0.00 0.00 177.00 177.92 1ixo s ASP 26 N -2.08 6.38 0.48 6.66 -1.08 -1.24 -4.56 116.67 121.23 1ixo s ASP 26 Ca 0.62 0.45 0.23 0.00 -0.52 0.00 0.00 52.55 53.32 1ixo s ASP 26 Cb -0.11 -2.25 1.26 0.00 -1.46 0.00 0.00 42.92 40.36 1ixo s ASP 26 CO 0.15 -0.20 1.92 -0.65 0.52 0.00 0.00 175.17 176.92 1ixo h PRO 27 N 7.89 0.20 -0.95 4.34 0.11 -1.90 -0.75 132.00 140.94 1ixo h PRO 27 Ca -0.32 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.79 1ixo h PRO 27 Cb 1.15 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1ixo h PRO 27 CO 0.69 0.13 0.62 0.28 -0.21 0.00 0.00 178.00 179.51 1ixo h VAL 28 N 0.20 1.25 -0.18 3.15 2.07 -1.93 -1.39 116.25 119.42 1ixo h VAL 28 Ca 0.38 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1ixo h VAL 28 Cb 1.18 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1ixo h VAL 28 CO -0.07 0.25 -0.14 -0.61 0.02 0.00 0.00 177.57 177.01 1ixo h GLN 29 N 1.30 0.42 -0.84 1.57 4.15 -1.56 -3.03 115.11 117.12 1ixo h GLN 29 Ca 0.35 -0.20 0.11 0.00 0.77 0.00 0.00 58.65 59.67 1ixo h GLN 29 Cb -0.13 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.50 1ixo h GLN 29 CO -0.07 0.75 0.54 0.00 -1.93 0.00 0.00 178.83 178.13 1ixo h ALA 30 N 0.65 1.76 -0.55 3.38 0.00 -1.28 -2.00 119.26 121.22 1ixo h ALA 30 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1ixo h ALA 30 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ixo h ALA 30 CO 0.04 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.26 1ixo h ALA 31 N 1.59 0.81 -0.30 0.00 0.00 -1.19 -0.71 119.26 119.46 1ixo h ALA 31 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ixo h ALA 31 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ixo h ALA 31 CO -0.16 0.67 0.16 0.74 0.00 0.00 0.00 179.25 180.65 1ixo h PHE 32 N 0.92 0.41 -0.25 0.00 0.05 -1.26 -1.34 116.94 115.47 1ixo h PHE 32 Ca 0.15 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.93 1ixo h PHE 32 Cb 0.64 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.45 1ixo h PHE 32 CO 0.04 0.35 0.17 0.82 -0.18 0.00 0.00 178.31 179.51 1ixo h ILE 33 N 0.36 1.07 -0.55 -0.55 2.04 -1.26 -2.56 117.51 116.06 1ixo h ILE 33 Ca 0.10 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 1ixo h ILE 33 Cb 0.08 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1ixo h ILE 33 CO -0.02 0.07 0.16 0.00 0.00 0.00 0.00 178.15 178.36 1ixo h ALA 34 N 1.09 0.72 0.00 1.87 0.00 -1.04 -2.62 119.26 119.28 1ixo h ALA 34 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ixo h ALA 34 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ixo h ALA 34 CO -0.02 0.39 -0.11 0.93 0.00 0.00 0.00 179.25 180.44 1ixo h GLU 35 N 0.76 0.00 -0.68 0.00 5.08 -1.12 -0.99 114.58 117.64 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 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ixo h GLU 35 CO -0.00 0.11 0.00 1.04 -1.00 0.00 0.00 179.01 179.15 1ixo n GLN 36 N -3.58 3.11 -0.08 2.33 6.02 -0.97 -4.39 117.38 119.81 1ixo n GLN 36 Ca -0.02 -2.72 0.01 0.00 -0.01 0.00 0.00 57.00 54.27 1ixo n GLN 36 Cb 0.23 -1.67 0.02 0.00 1.02 0.00 0.00 30.24 29.84 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 1.37 1.63 0.00 -1.58 0.00 -0.81 -4.99 120.51 116.13 1ixo n ALA 37 Ca 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1ixo n ALA 37 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.35 1.17 3.75 0.00 0.00 -1.17 -2.14 105.19 106.45 1ixo n GLY 38 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 3.34 -0.73 4.61 0.00 -0.44 -4.52 121.76 123.02 1ixo s ALA 39 Ca 0.00 0.67 0.14 0.00 0.00 0.00 0.00 51.96 52.77 1ixo s ALA 39 Cb 0.00 -3.24 -0.15 0.00 0.00 0.00 0.00 23.12 19.73 1ixo s ALA 39 CO 0.00 0.11 0.63 -0.25 0.00 0.00 0.00 175.76 176.25 1ixo n ASP 40 N 1.61 0.74 -3.67 0.00 8.00 0.18 -4.53 116.55 118.88 1ixo n ASP 40 Ca -0.01 -0.87 -0.10 0.00 0.71 0.00 0.00 54.79 54.52 1ixo n ASP 40 Cb 0.47 0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 42.51 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 -2.33 -0.27 -0.04 0.44 0.00 -1.10 -4.34 107.32 99.68 1ixo s GLY 41 Ca 0.06 -0.00 0.05 0.00 0.00 0.00 0.00 44.72 44.82 1ixo s GLY 41 CO 0.58 -0.06 -0.18 -0.42 0.00 0.00 0.00 173.10 173.02 1ixo s ILE 42 N -3.85 1.49 -0.07 0.90 -1.09 -0.76 -1.60 121.20 116.22 1ixo s ILE 42 Ca 0.07 -0.76 0.05 0.00 -2.23 0.00 0.00 60.65 57.78 1ixo s ILE 42 Cb -0.03 -1.28 -0.01 0.00 -1.58 0.00 0.00 42.46 39.57 1ixo s ILE 42 CO -0.03 0.43 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.99 1ixo s THR 43 N -0.02 2.27 -0.02 2.92 2.01 0.34 -0.60 115.64 122.54 1ixo s THR 43 Ca -0.03 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.00 1ixo s THR 43 Cb -0.11 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1ixo s THR 43 CO 0.02 0.57 -0.03 0.68 -0.69 0.00 0.00 174.62 175.16 1ixo s VAL 44 N -0.09 0.34 -0.39 3.82 -7.23 -1.02 -2.45 120.40 113.38 1ixo s VAL 44 Ca -0.05 -0.11 -0.13 0.00 -1.81 0.00 0.00 61.98 59.87 1ixo s VAL 44 Cb -0.14 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.48 1ixo s VAL 44 CO 0.04 0.13 0.26 -2.28 -0.31 0.00 0.00 175.10 172.94 1ixo s HIS 45 N 0.33 3.24 -0.93 2.82 2.46 -1.26 -0.82 115.29 121.13 1ixo s HIS 45 Ca -0.03 -0.69 -0.22 0.00 0.47 0.00 0.00 55.06 54.59 1ixo s HIS 45 Cb -0.07 -2.52 0.08 0.00 -0.13 0.00 0.00 32.58 29.94 1ixo s HIS 45 CO -0.00 -0.59 1.28 -1.17 -2.47 0.00 0.00 174.74 171.79 1ixo s LEU 46 N 1.64 4.07 0.36 8.88 0.20 -0.82 -4.42 118.68 128.58 1ixo s LEU 46 Ca 0.04 -1.51 -0.26 0.00 0.69 0.00 0.00 54.13 53.09 1ixo s LEU 46 Cb -0.19 -2.50 -0.09 0.00 -0.43 0.00 0.00 46.19 42.98 1ixo s LEU 46 CO 0.09 -1.39 1.05 -0.13 -0.29 0.00 0.00 176.35 175.68 1ixo s ARG 47 N 4.20 4.34 0.50 1.98 0.52 -1.26 -4.72 118.95 124.50 1ixo s ARG 47 Ca 0.38 1.56 0.23 0.00 -0.52 0.00 0.00 55.73 57.38 1ixo s ARG 47 Cb -0.04 -2.75 1.29 0.00 0.52 0.00 0.00 34.95 33.97 1ixo s ARG 47 CO -0.06 0.01 1.96 1.49 0.02 0.00 0.00 175.30 178.72 1ixo h GLU 48 N 2.93 0.14 -0.21 3.54 4.81 -1.97 0.99 114.58 124.81 1ixo h GLU 48 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1ixo h GLU 48 Cb 1.21 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ixo h GLU 48 CO 0.64 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.61 1ixo n ASP 49 N -4.40 1.71 -4.34 1.04 5.68 -1.26 -4.93 116.55 110.05 1ixo n ASP 49 Ca 0.12 -1.78 -0.38 0.00 -0.50 0.00 0.00 54.79 52.25 1ixo n ASP 49 Cb 0.62 -0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.37 -2.14 0.20 0.11 3.00 0.34 -4.86 116.66 113.69 1ixo n ARG 50 Ca 0.15 0.27 -0.11 0.00 -0.01 0.00 0.00 57.85 58.15 1ixo n ARG 50 Cb 0.32 -4.87 -0.06 0.00 0.00 0.00 0.00 32.46 27.85 1ixo n ARG 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1ixo h ARG 51 N -1.28 -0.62 0.00 5.56 2.43 -1.92 -3.44 114.38 115.11 1ixo h ARG 51 Ca -0.60 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1ixo h ARG 51 Cb 1.39 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1ixo h ARG 51 CO 0.82 -0.41 0.00 -2.39 -1.51 0.00 0.00 179.97 176.48 1ixo n HIS 52 N -4.20 0.00 -1.93 2.20 1.44 -1.26 -4.87 115.22 106.60 1ixo n HIS 52 Ca -0.08 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.22 1ixo n HIS 52 Cb 0.28 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.38 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 2.38 0.49 0.61 -1.09 -1.26 -4.78 121.20 117.55 1ixo s ILE 53 Ca 0.00 0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 1ixo s ILE 53 Cb 0.00 -3.23 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 1ixo s ILE 53 CO 0.00 0.07 0.13 0.42 -1.23 0.00 0.00 174.94 174.34 1ixo s THR 54 N -0.63 1.61 0.31 2.92 -4.23 -1.26 -4.58 115.64 109.78 1ixo s THR 54 Ca 0.55 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1ixo s THR 54 Cb -0.44 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1ixo s THR 54 CO 0.53 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.88 1ixo h ASP 55 N 1.27 0.58 -0.42 3.99 3.32 -1.97 -1.50 116.42 121.69 1ixo h ASP 55 Ca -0.42 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.41 1ixo h ASP 55 Cb 1.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ixo h ASP 55 CO 0.70 0.65 -0.12 0.08 -1.72 0.00 0.00 179.24 178.83 1ixo h ARG 56 N 0.58 0.83 -0.28 3.56 -0.00 -1.98 0.13 114.38 117.22 1ixo h ARG 56 Ca 0.12 -0.32 0.07 0.00 -0.00 0.00 0.00 59.98 59.84 1ixo h ARG 56 Cb 0.36 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.97 30.22 1ixo h ARG 56 CO 0.01 0.95 -0.25 -0.44 -0.00 0.00 0.00 179.97 180.25 1ixo h ASP 57 N 0.65 -0.80 -0.02 0.08 3.45 -1.78 0.29 116.42 118.29 1ixo h ASP 57 Ca 0.10 0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.71 1ixo h ASP 57 Cb 0.66 0.38 -0.00 0.00 -0.56 0.00 0.00 39.33 39.81 1ixo h ASP 57 CO 0.04 -0.28 0.01 0.58 -1.57 0.00 0.00 179.24 178.03 1ixo h VAL 58 N -0.24 1.03 -0.06 -1.35 2.07 -1.14 0.14 116.25 116.70 1ixo h VAL 58 Ca 0.15 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1ixo h VAL 58 Cb 0.47 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1ixo h VAL 58 CO -0.41 0.03 -0.15 -0.09 0.02 0.00 0.00 177.57 176.96 1ixo h ARG 59 N -0.01 -0.22 -0.21 1.57 2.43 0.13 -0.32 114.38 117.76 1ixo h ARG 59 Ca 0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1ixo h ARG 59 Cb 0.03 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ixo h ARG 59 CO -0.00 -0.14 -0.07 0.82 -1.51 0.00 0.00 179.97 179.07 1ixo h ILE 60 N -0.23 1.29 -0.80 1.20 2.04 -0.40 -3.11 117.51 117.51 1ixo h ILE 60 Ca 0.07 -1.08 0.09 0.00 1.00 0.00 0.00 64.86 64.94 1ixo h ILE 60 Cb 0.32 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 1ixo h ILE 60 CO -0.19 0.33 0.45 0.25 0.00 0.00 0.00 178.15 178.99 1ixo h LEU 61 N 0.12 0.64 -2.82 1.44 5.85 -0.62 0.22 115.31 120.15 1ixo h LEU 61 Ca 0.05 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ixo h LEU 61 Cb 0.53 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ixo h LEU 61 CO 0.02 0.37 0.01 -0.09 -0.34 0.00 0.00 178.44 178.41 1ixo h ARG 62 N 0.76 0.00 0.00 1.25 9.65 -0.99 0.85 114.38 125.91 1ixo h ARG 62 Ca 0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 1ixo h ARG 62 Cb 0.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1ixo h ARG 62 CO -0.24 0.00 -1.76 1.04 2.80 0.00 0.00 179.97 181.81 1ixo n GLN 63 N -3.32 0.52 -0.05 0.20 6.02 0.62 -4.60 117.38 116.79 1ixo n GLN 63 Ca -0.03 -0.15 -0.01 0.00 -0.01 0.00 0.00 57.00 56.80 1ixo n GLN 63 Cb 0.08 -1.53 -0.12 0.00 1.02 0.00 0.00 30.24 29.69 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 -2.12 0.61 -1.66 5.09 -2.24 -0.21 -4.99 114.28 108.75 1ixo n THR 64 Ca -0.02 -0.54 -0.46 0.00 -2.27 0.00 0.00 64.05 60.76 1ixo n THR 64 Cb 0.52 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1ixo n THR 64 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ixo n LEU 65 N -2.36 2.89 0.00 3.22 4.77 0.17 -4.89 117.00 120.81 1ixo n LEU 65 Ca -0.16 1.13 -0.04 0.00 -0.03 0.00 0.00 56.01 56.91 1ixo n LEU 65 Cb 0.76 -1.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.34 1ixo n LEU 65 CO 0.34 -0.55 -0.41 -0.67 -1.33 0.00 0.00 177.39 174.76 1ixo n ASP 66 N 2.39 0.87 0.00 -1.43 2.03 -1.26 -4.83 116.55 114.31 1ixo n ASP 66 Ca 0.13 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1ixo n ASP 66 Cb 0.30 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 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 -2.97 0.00 -3.77 5.18 -2.24 -1.26 -5.13 114.28 104.09 1ixo n THR 67 Ca -0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1ixo n THR 67 Cb 0.95 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.10 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 1.91 0.74 0.10 -0.78 1.04 -1.26 -5.06 118.95 115.64 1ixo s ARG 68 Ca 0.00 -0.41 -0.16 0.00 -1.04 0.00 0.00 55.73 54.12 1ixo s ARG 68 Cb 0.00 0.32 -0.07 0.00 -2.04 0.00 0.00 34.95 33.16 1ixo s ARG 68 CO 0.00 -0.22 0.54 1.41 -0.04 0.00 0.00 175.30 176.99 1ixo s MET 69 N -2.09 4.05 -0.29 3.89 -2.45 -1.26 -1.84 119.30 119.31 1ixo s MET 69 Ca -0.08 0.57 0.03 0.00 -1.25 0.00 0.00 55.69 54.96 1ixo s MET 69 Cb -0.03 -3.07 0.08 0.00 1.25 0.00 0.00 34.83 33.06 1ixo s MET 69 CO -0.01 0.56 -0.03 1.21 1.05 0.00 0.00 175.02 177.81 1ixo s ASN 70 N -1.43 4.52 -0.44 1.11 2.47 0.23 -1.68 114.94 119.71 1ixo s ASN 70 Ca 0.33 -1.72 -0.27 0.00 0.42 0.00 0.00 52.86 51.62 1ixo s ASN 70 Cb -0.17 -1.52 0.03 0.00 -1.45 0.00 0.00 41.25 38.14 1ixo s ASN 70 CO 0.18 -0.29 1.01 -0.22 -3.72 0.00 0.00 177.10 174.07 1ixo s LEU 71 N 1.06 3.87 0.07 3.21 0.20 -0.31 -2.42 118.68 124.36 1ixo s LEU 71 Ca 0.01 0.39 -0.22 0.00 0.69 0.00 0.00 54.13 54.99 1ixo s LEU 71 Cb -0.19 -3.35 -0.06 0.00 -0.43 0.00 0.00 46.19 42.15 1ixo s LEU 71 CO -0.07 -1.07 0.66 -1.61 -0.29 0.00 0.00 176.35 173.97 1ixo s GLU 72 N 3.93 4.37 -0.00 1.98 2.02 0.00 -0.94 118.70 130.06 1ixo s GLU 72 Ca 0.41 0.90 -0.28 0.00 0.02 0.00 0.00 54.97 56.02 1ixo s GLU 72 Cb -0.10 -3.29 0.09 0.00 0.10 0.00 0.00 34.13 30.94 1ixo s GLU 72 CO 0.26 0.49 0.81 0.00 0.02 0.00 0.00 175.26 176.84 1ixo s MET 73 N -0.70 0.92 0.52 1.61 0.23 -0.80 -1.95 119.30 119.14 1ixo s MET 73 Ca 0.33 -0.17 -0.07 0.00 -1.03 0.00 0.00 55.69 54.75 1ixo s MET 73 Cb -0.20 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.49 1ixo s MET 73 CO 0.21 -0.37 0.86 0.00 -2.03 0.00 0.00 175.02 173.70 1ixo s ALA 74 N -2.58 3.30 -0.58 3.16 0.00 -1.24 -0.39 121.76 123.44 1ixo s ALA 74 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 1ixo s ALA 74 Cb -0.01 -2.75 0.05 0.00 0.00 0.00 0.00 23.12 20.41 1ixo s ALA 74 CO -0.05 -0.44 0.90 0.08 0.00 0.00 0.00 175.76 176.25 1ixo s VAL 75 N -2.87 4.44 0.06 0.00 1.01 -1.26 -4.75 120.40 117.04 1ixo s VAL 75 Ca 0.50 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1ixo s VAL 75 Cb -0.10 -4.55 0.03 0.00 0.00 0.00 0.00 36.38 31.76 1ixo s VAL 75 CO 0.47 -1.18 0.36 0.42 0.00 0.00 0.00 175.10 175.18 1ixo s THR 76 N 3.77 0.07 0.26 3.92 -4.23 -1.26 -5.05 115.64 113.13 1ixo s THR 76 Ca 0.25 -0.59 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1ixo s THR 76 Cb -0.15 -1.00 0.27 0.00 1.34 0.00 0.00 72.50 72.96 1ixo s THR 76 CO 0.15 -0.33 1.89 -0.33 -0.54 0.00 0.00 174.62 175.46 1ixo h GLU 77 N 2.95 1.16 0.26 3.99 4.39 -1.99 -0.35 114.58 125.00 1ixo h GLU 77 Ca -0.32 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.32 1ixo h GLU 77 Cb 1.21 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1ixo h GLU 77 CO 0.46 0.77 -0.35 1.49 -1.16 0.00 0.00 179.01 180.21 1ixo h GLU 78 N 1.20 -0.64 -0.74 2.33 4.81 -1.97 -0.40 114.58 119.16 1ixo h GLU 78 Ca 0.43 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1ixo h GLU 78 Cb 0.14 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1ixo h GLU 78 CO -0.17 -0.43 0.46 0.52 -0.73 0.00 0.00 179.01 178.66 1ixo h MET 79 N -0.67 1.00 -0.77 1.92 2.86 -1.71 -1.50 114.93 116.07 1ixo h MET 79 Ca -0.00 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1ixo h MET 79 Cb 0.64 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 1ixo h MET 79 CO -0.12 0.70 0.40 -0.07 1.06 0.00 0.00 176.91 178.89 1ixo h LEU 80 N 1.01 0.97 -0.37 1.22 3.38 -0.87 0.32 115.31 120.98 1ixo h LEU 80 Ca 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ixo h LEU 80 Cb -0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1ixo h LEU 80 CO -0.05 0.80 0.15 0.00 0.09 0.00 0.00 178.44 179.43 1ixo h ALA 81 N 1.21 0.47 0.43 1.53 0.00 -0.64 0.13 119.26 122.38 1ixo h ALA 81 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ixo h ALA 81 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ixo h ALA 81 CO -0.04 0.07 -0.20 0.82 0.00 0.00 0.00 179.25 179.90 1ixo h ILE 82 N 0.44 0.58 -0.28 0.00 2.04 -0.79 0.50 117.51 120.02 1ixo h ILE 82 Ca 0.12 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1ixo h ILE 82 Cb 0.18 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1ixo h ILE 82 CO -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.97 1ixo h ALA 83 N -0.00 0.03 -0.68 1.87 0.00 -0.23 0.75 119.26 121.00 1ixo h ALA 83 Ca -0.06 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ixo h ALA 83 Cb 0.44 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1ixo h ALA 83 CO 0.10 -0.57 0.41 0.28 0.00 0.00 0.00 179.25 179.46 1ixo h VAL 84 N -0.15 1.06 -0.14 0.00 2.07 -0.57 0.23 116.25 118.76 1ixo h VAL 84 Ca 0.15 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 1ixo h VAL 84 Cb 0.37 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ixo h VAL 84 CO -0.37 0.15 -0.55 -0.08 0.02 0.00 0.00 177.57 176.74 1ixo h GLU 85 N 0.80 0.40 -0.01 1.57 4.57 -0.14 -3.22 114.58 118.55 1ixo h GLU 85 Ca 0.28 -0.25 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 1ixo h GLU 85 Cb 0.06 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1ixo h GLU 85 CO -0.13 0.85 -0.77 1.15 -1.18 0.00 0.00 179.01 178.93 1ixo h THR 86 N 0.31 1.49 -5.95 0.32 2.02 0.13 -3.49 112.91 107.75 1ixo h THR 86 Ca 0.01 -2.47 -0.38 0.00 0.77 0.00 0.00 66.41 64.33 1ixo h THR 86 Cb 1.06 2.34 0.10 0.00 -1.74 0.00 0.00 68.15 69.91 1ixo h THR 86 CO 0.09 0.72 -0.85 0.29 0.37 0.00 0.00 175.52 176.14 1ixo n LYS 87 N -3.70 -3.91 -1.98 6.66 4.01 0.74 -4.97 118.16 115.01 1ixo n LYS 87 Ca -0.02 0.66 -0.32 0.00 -0.51 0.00 0.00 58.31 58.11 1ixo n LYS 87 Cb 0.74 -5.17 0.02 0.00 -0.51 0.00 0.00 35.03 30.10 1ixo n LYS 87 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1ixo s PRO 88 N -5.62 3.26 0.16 1.97 0.04 -1.26 -4.94 135.00 128.61 1ixo s PRO 88 Ca 0.17 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 1ixo s PRO 88 Cb -0.04 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.51 1ixo s PRO 88 CO 0.80 -0.86 1.77 1.25 0.04 0.00 0.00 177.00 180.00 1ixo h HIS 89 N 0.29 0.66 -2.56 0.56 2.76 -1.88 -3.42 115.15 111.56 1ixo h HIS 89 Ca -0.46 -0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.15 1ixo h HIS 89 Cb 1.22 -0.21 -0.14 0.00 1.55 0.00 0.00 27.41 29.82 1ixo h HIS 89 CO 0.59 0.49 -0.75 -0.06 -1.30 0.00 0.00 177.93 176.90 1ixo s PHE 90 N -5.88 2.02 -0.07 5.26 0.40 -0.68 -1.81 117.98 117.23 1ixo s PHE 90 Ca -0.13 -0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1ixo s PHE 90 Cb 0.12 -0.90 0.04 0.00 0.51 0.00 0.00 43.02 42.78 1ixo s PHE 90 CO 0.75 0.54 0.15 0.00 0.70 0.00 0.00 175.22 177.36 1ixo s LEU 93 N 1.17 4.25 0.14 0.00 1.43 -0.10 -1.90 118.68 123.68 1ixo s LEU 93 Ca -0.07 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1ixo s LEU 93 Cb -0.20 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1ixo s LEU 93 CO -0.06 -0.59 -0.13 0.68 0.23 0.00 0.00 176.35 176.48 1ixo s VAL 94 N 2.42 1.39 0.27 -1.59 -7.23 0.48 -1.72 120.40 114.42 1ixo s VAL 94 Ca 0.53 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 1ixo s VAL 94 Cb -0.22 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.91 1ixo s VAL 94 CO 0.19 -0.52 1.09 -2.16 -0.31 0.00 0.00 175.10 173.39 1ixo s PRO 95 N -3.10 4.65 -0.37 4.82 0.04 -1.26 -3.61 135.00 136.17 1ixo s PRO 95 Ca 0.13 1.79 0.14 0.00 0.04 0.00 0.00 61.00 63.10 1ixo s PRO 95 Cb -0.02 -3.20 0.41 0.00 0.04 0.00 0.00 34.50 31.72 1ixo s PRO 95 CO 0.03 0.22 0.87 0.39 0.04 0.00 0.00 177.00 178.56 1ixo n GLU 96 N 1.26 1.38 0.00 4.56 1.02 -1.26 -4.94 120.64 122.66 1ixo n GLU 96 Ca -0.01 -3.50 0.00 0.00 -0.02 0.00 0.00 57.16 53.63 1ixo n GLU 96 Cb 0.45 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1ixo n GLU 96 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ixo n GLU 104 N 0.03 0.00 0.00 3.49 1.02 -1.26 -5.18 120.64 118.75 1ixo n GLU 104 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1ixo n GLU 104 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.14 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 0.00 0.41 3.85 0.62 0.00 -1.26 -4.96 105.19 103.85 1ixo n GLY 105 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.37 1.61 0.14 -0.02 0.00 -1.26 -4.75 107.32 102.66 1ixo s GLY 106 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1ixo s GLY 106 CO 0.00 0.02 1.20 -2.27 0.00 0.00 0.00 173.10 172.05 1ixo s LEU 107 N -5.63 4.42 -1.17 0.66 2.96 0.38 -4.83 118.68 115.48 1ixo s LEU 107 Ca 0.61 2.15 -0.18 0.00 -0.22 0.00 0.00 54.13 56.48 1ixo s LEU 107 Cb -0.12 -3.60 0.10 0.00 0.50 0.00 0.00 46.19 43.07 1ixo s LEU 107 CO 0.52 -0.40 1.53 -0.62 -1.32 0.00 0.00 176.35 176.05 1ixo s ASP 108 N 0.48 6.79 0.02 3.68 3.68 -1.26 -4.76 116.67 125.29 1ixo s ASP 108 Ca 0.55 -2.30 -0.19 0.00 2.13 0.00 0.00 52.55 52.74 1ixo s ASP 108 Cb -0.31 -2.51 -0.21 0.00 -1.45 0.00 0.00 42.92 38.43 1ixo s ASP 108 CO 0.33 -1.14 1.15 0.58 0.13 0.00 0.00 175.17 176.23 1ixo h VAL 109 N 5.67 1.41 -0.13 1.11 2.07 -1.92 -3.18 116.25 121.28 1ixo h VAL 109 Ca 0.33 -1.96 0.04 0.00 0.82 0.00 0.00 66.70 65.93 1ixo h VAL 109 Cb 0.92 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 33.09 1ixo h VAL 109 CO 1.36 0.57 -0.12 0.00 0.02 0.00 0.00 177.57 179.40 1ixo h ALA 110 N 0.38 -0.02 0.00 1.67 0.00 -1.86 -1.27 119.26 118.15 1ixo h ALA 110 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ixo h ALA 110 Cb 1.22 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1ixo h ALA 110 CO 0.11 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.20 1ixo n GLY 111 N -1.27 -0.54 2.80 0.00 0.00 -1.24 -3.14 105.19 101.80 1ixo n GLY 111 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.26 1.62 -0.33 1.61 6.02 -0.55 -4.96 117.38 119.53 1ixo n GLN 112 Ca 0.04 -3.17 0.24 0.00 -0.01 0.00 0.00 57.00 54.11 1ixo n GLN 112 Cb 0.06 -1.29 0.48 0.00 1.02 0.00 0.00 30.24 30.51 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 2.43 0.28 0.52 -1.09 3.08 -1.33 -2.10 114.38 116.16 1ixo h ARG 113 Ca -0.18 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1ixo h ARG 113 Cb 1.27 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.26 1ixo h ARG 113 CO 0.16 0.18 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.55 1ixo h ASP 114 N 0.29 -0.59 -0.50 7.04 5.19 -1.92 -1.39 116.42 124.54 1ixo h ASP 114 Ca 0.74 -0.06 0.10 0.00 -0.62 0.00 0.00 57.03 57.19 1ixo h ASP 114 Cb 1.71 0.15 -0.09 0.00 0.18 0.00 0.00 39.33 41.29 1ixo h ASP 114 CO -0.63 -0.28 -0.02 0.50 -3.12 0.00 0.00 179.24 175.69 1ixo h LYS 115 N -0.91 0.09 -0.38 3.56 3.64 -1.80 -1.71 116.57 119.06 1ixo h LYS 115 Ca -0.07 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1ixo h LYS 115 Cb 0.61 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1ixo h LYS 115 CO 0.12 0.06 -0.30 0.52 -2.27 0.00 0.00 179.45 177.57 1ixo h MET 116 N 0.09 0.84 -0.89 1.90 2.86 -1.49 -0.83 114.93 117.41 1ixo h MET 116 Ca 0.25 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1ixo h MET 116 Cb 0.39 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1ixo h MET 116 CO -0.44 1.03 0.58 -0.09 1.06 0.00 0.00 176.91 179.04 1ixo h ARG 117 N 0.71 1.02 0.01 1.72 2.43 -0.60 0.32 114.38 119.98 1ixo h ARG 117 Ca 0.08 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 58.94 1ixo h ARG 117 Cb 0.85 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1ixo h ARG 117 CO 0.08 0.67 -1.00 -0.44 -1.51 0.00 0.00 179.97 177.77 1ixo h ASP 118 N 1.05 0.67 0.49 -3.80 5.19 -1.10 -2.80 116.42 116.12 1ixo h ASP 118 Ca 0.37 -0.54 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 1ixo h ASP 118 Cb 0.12 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1ixo h ASP 118 CO -0.12 1.35 -0.25 0.00 -3.12 0.00 0.00 179.24 177.09 1ixo h ALA 119 N 0.61 -0.68 -0.32 3.45 0.00 -0.18 0.35 119.26 122.48 1ixo h ALA 119 Ca -0.10 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1ixo h ALA 119 Cb 1.64 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 1ixo h ALA 119 CO 0.18 -0.89 0.03 0.00 0.00 0.00 0.00 179.25 178.57 1ixo h LYS 121 N 0.13 0.18 -0.00 0.00 1.63 -1.44 0.01 116.57 117.08 1ixo h LYS 121 Ca 0.15 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.95 1ixo h LYS 121 Cb 0.19 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 1ixo h LYS 121 CO -0.23 0.21 -0.10 -0.09 -3.45 0.00 0.00 179.45 175.80 1ixo h ARG 122 N 0.11 -0.16 -0.47 1.90 9.65 -0.58 -0.60 114.38 124.23 1ixo h ARG 122 Ca 0.05 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1ixo h ARG 122 Cb 0.09 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1ixo h ARG 122 CO -0.01 -0.11 0.06 -0.07 2.80 0.00 0.00 179.97 182.64 1ixo h LEU 123 N -0.17 0.69 -0.85 3.80 3.38 -0.78 -2.81 115.31 118.57 1ixo h LEU 123 Ca 0.04 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1ixo h LEU 123 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ixo h LEU 123 CO -0.10 0.72 -0.39 0.00 0.09 0.00 0.00 178.44 178.76 1ixo h ALA 124 N 1.36 1.01 -0.23 1.53 0.00 -0.50 -1.98 119.26 120.47 1ixo h ALA 124 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1ixo h ALA 124 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ixo h ALA 124 CO 0.01 0.61 -0.02 -0.44 0.00 0.00 0.00 179.25 179.40 1ixo h ASP 125 N 0.32 0.31 0.05 0.00 3.32 -0.86 -0.18 116.42 119.39 1ixo h ASP 125 Ca 0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ixo h ASP 125 Cb 0.83 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1ixo h ASP 125 CO 0.07 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 1ixo n ALA 126 N -2.49 2.43 -1.01 3.45 0.00 -0.89 -4.87 120.51 117.14 1ixo n ALA 126 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ixo n ALA 126 Cb 0.21 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.63 0.40 3.70 0.00 0.00 -0.08 -4.93 105.19 104.92 1ixo n GLY 127 Ca 0.18 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.01 5.33 0.00 -0.61 1.01 -0.80 -4.92 121.20 119.22 1ixo s ILE 128 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 1ixo s ILE 128 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1ixo s ILE 128 CO 0.00 0.37 0.94 -1.10 0.00 0.00 0.00 174.94 175.15 1ixo s GLN 129 N 0.71 4.56 -0.10 2.79 -0.21 -0.75 -3.85 119.66 122.80 1ixo s GLN 129 Ca 0.12 1.35 -0.02 0.00 0.02 0.00 0.00 55.36 56.83 1ixo s GLN 129 Cb -0.13 -3.45 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 1ixo s GLN 129 CO 0.03 -0.01 -0.01 0.08 -2.12 0.00 0.00 175.29 173.26 1ixo s VAL 130 N 0.88 4.19 -0.03 1.09 1.01 -1.26 -1.62 120.40 124.66 1ixo s VAL 130 Ca 0.50 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1ixo s VAL 130 Cb -0.21 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1ixo s VAL 130 CO 0.27 0.57 -0.17 -0.55 0.00 0.00 0.00 175.10 175.22 1ixo s SER 131 N -0.56 2.11 -0.23 3.32 0.15 0.16 -2.03 113.70 116.63 1ixo s SER 131 Ca 0.09 -0.34 -0.06 0.00 0.70 0.00 0.00 55.95 56.34 1ixo s SER 131 Cb -0.12 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 1ixo s SER 131 CO 0.02 0.18 0.03 -0.76 1.20 0.00 0.00 173.24 173.91 1ixo s LEU 132 N -0.14 3.33 -0.47 3.45 1.43 -0.95 -0.92 118.68 124.40 1ixo s LEU 132 Ca 0.01 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 1ixo s LEU 132 Cb -0.10 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1ixo s LEU 132 CO 0.01 0.01 1.35 0.12 0.23 0.00 0.00 176.35 178.07 1ixo s PHE 133 N 1.35 2.46 0.23 0.29 2.19 -0.70 -1.35 117.98 122.45 1ixo s PHE 133 Ca 0.05 0.62 0.02 0.00 0.33 0.00 0.00 56.93 57.95 1ixo s PHE 133 Cb -0.15 -4.37 -0.05 0.00 -1.31 0.00 0.00 43.02 37.14 1ixo s PHE 133 CO 0.02 -1.82 0.04 0.96 1.83 0.00 0.00 175.22 176.25 1ixo s ILE 134 N 5.38 0.80 0.57 3.12 -4.36 -0.43 -0.47 121.20 125.80 1ixo s ILE 134 Ca 0.56 -2.01 -0.14 0.00 -0.26 0.00 0.00 60.65 58.80 1ixo s ILE 134 Cb -0.11 -2.42 -0.06 0.00 1.25 0.00 0.00 42.46 41.12 1ixo s ILE 134 CO 0.30 -0.23 1.01 -1.81 0.24 0.00 0.00 174.94 174.46 1ixo s ASP 135 N -3.29 6.42 -1.07 4.36 1.01 -1.26 -0.81 116.67 122.03 1ixo s ASP 135 Ca 0.31 1.49 -0.13 0.00 0.71 0.00 0.00 52.55 54.93 1ixo s ASP 135 Cb 0.07 -2.49 -0.08 0.00 1.01 0.00 0.00 42.92 41.43 1ixo s ASP 135 CO 0.10 -0.74 2.20 0.00 0.21 0.00 0.00 175.17 176.94 1ixo n ALA 136 N -2.19 4.82 -3.83 5.23 0.00 -1.26 -4.79 120.51 118.49 1ixo n ALA 136 Ca 0.06 -2.97 -0.30 0.00 0.00 0.00 0.00 53.44 50.24 1ixo n ALA 136 Cb 0.54 -3.35 -0.17 0.00 0.00 0.00 0.00 19.45 16.47 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 3.71 2.62 0.33 0.00 2.15 -1.26 -4.91 116.67 119.31 1ixo s ASP 137 Ca 0.51 -0.47 0.05 0.00 0.43 0.00 0.00 52.55 53.07 1ixo s ASP 137 Cb 0.13 -1.17 0.70 0.00 -0.30 0.00 0.00 42.92 42.29 1ixo s ASP 137 CO 0.00 -0.01 1.88 -0.33 -0.17 0.00 0.00 175.17 176.55 1ixo h GLU 138 N 7.71 0.80 0.16 4.34 5.08 -1.98 -1.29 114.58 129.39 1ixo h GLU 138 Ca -0.35 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1ixo h GLU 138 Cb 1.16 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1ixo h GLU 138 CO 0.52 0.53 -0.24 1.49 -1.00 0.00 0.00 179.01 180.31 1ixo h GLU 139 N 0.82 -0.44 -0.40 2.33 4.81 -1.96 0.10 114.58 119.84 1ixo h GLU 139 Ca 0.42 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1ixo h GLU 139 Cb 0.51 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1ixo h GLU 139 CO -0.19 -0.30 0.11 1.96 -0.73 0.00 0.00 179.01 179.87 1ixo h GLN 140 N -0.46 0.58 -0.25 1.92 1.08 -1.72 -0.60 115.11 115.65 1ixo h GLN 140 Ca 0.02 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 1ixo h GLN 140 Cb 0.46 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ixo h GLN 140 CO -0.11 0.52 -0.28 0.82 -0.95 0.00 0.00 178.83 178.83 1ixo h ILE 141 N 0.57 1.31 -0.10 2.54 2.04 -0.78 0.14 117.51 123.23 1ixo h ILE 141 Ca 0.13 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1ixo h ILE 141 Cb 0.20 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1ixo h ILE 141 CO -0.01 0.46 0.07 0.11 0.00 0.00 0.00 178.15 178.78 1ixo h LYS 142 N 0.35 0.14 -0.72 2.37 1.57 -0.57 -0.27 116.57 119.43 1ixo h LYS 142 Ca 0.04 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.92 1ixo h LYS 142 Cb 0.85 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.05 1ixo h LYS 142 CO 0.07 0.10 0.32 0.00 -0.57 0.00 0.00 179.45 179.37 1ixo h ALA 143 N 1.03 1.00 -0.39 3.86 0.00 -0.98 0.14 119.26 123.92 1ixo h ALA 143 Ca 0.04 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ixo h ALA 143 Cb -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ixo h ALA 143 CO -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.04 1ixo h ALA 144 N 1.49 1.15 -0.21 0.00 0.00 -0.04 -1.58 119.26 120.07 1ixo h ALA 144 Ca 0.38 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1ixo h ALA 144 Cb 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ixo h ALA 144 CO -0.34 0.54 -0.66 0.00 0.00 0.00 0.00 179.25 178.79 1ixo h ALA 145 N 1.32 0.43 -0.74 0.00 0.00 0.22 -2.96 119.26 117.52 1ixo h ALA 145 Ca 0.12 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1ixo h ALA 145 Cb 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ixo h ALA 145 CO 0.03 0.69 0.25 1.49 0.00 0.00 0.00 179.25 181.70 1ixo h GLU 146 N 0.57 1.13 0.00 0.00 4.22 -0.44 -2.35 114.58 117.71 1ixo h GLU 146 Ca -0.02 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1ixo h GLU 146 Cb 1.27 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ixo h GLU 146 CO 0.14 0.96 0.00 0.28 -2.18 0.00 0.00 179.01 178.20 1ixo n VAL 147 N -4.28 0.83 -0.28 0.32 0.31 -0.62 -4.92 118.33 109.68 1ixo n VAL 147 Ca 0.06 0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1ixo n VAL 147 Cb 0.22 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1ixo n VAL 147 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ixo n GLY 148 N 0.19 0.66 3.75 2.92 0.00 -0.89 -4.62 105.19 107.20 1ixo n GLY 148 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.50 3.73 -0.18 4.61 0.00 -1.12 -4.91 121.76 121.38 1ixo s ALA 149 Ca 0.00 1.51 0.21 0.00 0.00 0.00 0.00 51.96 53.67 1ixo s ALA 149 Cb 0.00 -3.63 0.42 0.00 0.00 0.00 0.00 23.12 19.91 1ixo s ALA 149 CO 0.00 -0.91 1.61 -1.00 0.00 0.00 0.00 175.76 175.46 1ixo h PRO 150 N 5.07 0.00 -5.07 0.00 0.13 -1.88 -3.44 132.00 126.81 1ixo h PRO 150 Ca -0.46 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1ixo h PRO 150 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 1ixo h PRO 150 CO 0.80 0.24 -0.71 -0.06 -0.23 0.00 0.00 178.00 178.04 1ixo s PHE 151 N -3.23 1.26 0.10 1.56 0.40 -0.86 -1.95 117.98 115.26 1ixo s PHE 151 Ca 0.04 -0.76 0.02 0.00 -0.60 0.00 0.00 56.93 55.64 1ixo s PHE 151 Cb 0.07 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1ixo s PHE 151 CO 0.68 0.08 -0.07 0.96 0.70 0.00 0.00 175.22 177.57 1ixo s ILE 152 N -3.30 0.74 -0.15 0.64 -4.36 -0.79 -2.25 121.20 111.73 1ixo s ILE 152 Ca 0.16 -1.88 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1ixo s ILE 152 Cb 0.02 -1.62 0.04 0.00 1.25 0.00 0.00 42.46 42.16 1ixo s ILE 152 CO 0.00 -0.82 -0.03 -0.70 0.24 0.00 0.00 174.94 173.64 1ixo s GLU 153 N -3.64 1.17 -0.01 0.37 2.12 -0.46 -0.96 118.70 117.29 1ixo s GLU 153 Ca 0.11 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 1ixo s GLU 153 Cb 0.04 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.54 1ixo s GLU 153 CO -0.04 -0.44 1.11 0.42 -0.54 0.00 0.00 175.26 175.77 1ixo s ILE 154 N 1.73 4.43 -0.34 -3.70 1.01 0.13 -1.32 121.20 123.14 1ixo s ILE 154 Ca 0.01 1.74 -0.28 0.00 0.00 0.00 0.00 60.65 62.12 1ixo s ILE 154 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 1ixo s ILE 154 CO -0.07 0.08 1.71 -2.28 0.00 0.00 0.00 174.94 174.38 1ixo s HIS 155 N 1.45 1.94 -1.96 3.97 5.65 0.01 -3.08 115.29 123.27 1ixo s HIS 155 Ca 0.55 0.62 0.15 0.00 0.25 0.00 0.00 55.06 56.64 1ixo s HIS 155 Cb -0.24 -4.17 0.45 0.00 -1.18 0.00 0.00 32.58 27.43 1ixo s HIS 155 CO 0.26 -2.76 1.37 0.25 -0.65 0.00 0.00 174.74 173.21 1ixo n THR 156 N 7.33 0.70 -0.17 0.89 -2.24 -1.16 -4.43 114.28 115.21 1ixo n THR 156 Ca 0.21 -0.68 -0.03 0.00 -2.27 0.00 0.00 64.05 61.28 1ixo n THR 156 Cb 0.47 0.32 0.06 0.00 -2.10 0.00 0.00 70.33 69.08 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 4.89 0.70 1.68 3.38 0.00 -1.78 0.85 103.07 112.78 1ixo h GLY 157 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1ixo h GLY 157 CO 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 176.54 176.59 1ixo h TYR 159 N 0.39 0.86 -0.44 0.00 5.03 -1.67 -2.57 116.97 118.56 1ixo h TYR 159 Ca 0.09 -0.29 -0.09 0.00 2.58 0.00 0.00 58.73 61.02 1ixo h TYR 159 Cb 0.29 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 1ixo h TYR 159 CO 0.01 1.06 -0.08 0.00 -1.32 0.00 0.00 178.16 177.83 1ixo h ALA 160 N 0.65 1.04 -0.30 1.82 0.00 0.04 -2.82 119.26 119.69 1ixo h ALA 160 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ixo h ALA 160 Cb 0.97 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ixo h ALA 160 CO 0.09 0.59 0.00 -0.25 0.00 0.00 0.00 179.25 179.68 1ixo n ASP 161 N -4.18 1.87 -4.65 0.00 8.00 0.62 -4.89 116.55 113.31 1ixo n ASP 161 Ca 0.02 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.20 1ixo n ASP 161 Cb 0.34 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1ixo n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ixo s ALA 162 N -1.61 3.43 0.00 2.24 0.00 -0.97 -4.95 121.76 119.91 1ixo s ALA 162 Ca 0.27 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1ixo s ALA 162 Cb 0.14 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1ixo s ALA 162 CO 0.20 -1.72 0.49 1.63 0.00 0.00 0.00 175.76 176.36 1ixo n LYS 163 N 7.52 0.00 -1.30 0.00 5.02 -1.26 -4.74 118.16 123.40 1ixo n LYS 163 Ca 0.19 0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 56.38 1ixo n LYS 163 Cb 0.43 -1.05 0.10 0.00 -0.02 0.00 0.00 35.03 34.50 1ixo n LYS 163 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ixo s THR 164 N -1.38 3.12 -0.31 -0.18 -4.23 -1.26 -4.89 115.64 106.51 1ixo s THR 164 Ca 0.00 0.36 0.27 0.00 -1.18 0.00 0.00 61.69 61.15 1ixo s THR 164 Cb 0.00 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 71.25 1ixo s THR 164 CO 0.00 -0.48 1.81 0.44 -0.54 0.00 0.00 174.62 175.85 1ixo h ASP 165 N -1.24 0.00 0.00 3.99 3.32 -1.99 -1.76 116.42 118.74 1ixo h ASP 165 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1ixo h ASP 165 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ixo h ASP 165 CO 0.54 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 178.02 1ixo h ALA 166 N 2.18 0.00 -1.20 3.45 0.00 -1.98 -2.36 119.26 119.35 1ixo h ALA 166 Ca 0.00 -0.12 0.36 0.00 0.00 0.00 0.00 54.91 55.15 1ixo h ALA 166 Cb 0.53 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.24 1ixo h ALA 166 CO 0.00 0.03 0.78 1.49 0.00 0.00 0.00 179.25 181.55 1ixo h GLU 167 N -1.00 0.20 0.02 0.00 4.81 -1.92 0.33 114.58 117.01 1ixo h GLU 167 Ca -0.00 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 1ixo h GLU 167 Cb 0.21 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.56 1ixo h GLU 167 CO -0.00 0.13 -1.02 0.37 -0.73 0.00 0.00 179.01 177.76 1ixo h GLN 168 N 0.20 0.66 -0.69 1.92 4.15 -1.38 -3.01 115.11 116.96 1ixo h GLN 168 Ca 0.72 -0.73 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1ixo h GLN 168 Cb 2.14 0.21 -0.03 0.00 0.21 0.00 0.00 27.48 30.01 1ixo h GLN 168 CO -0.36 1.31 0.36 0.00 -1.93 0.00 0.00 178.83 178.21 1ixo h ALA 169 N 0.37 1.33 -0.27 3.38 0.00 0.17 -0.89 119.26 123.36 1ixo h ALA 169 Ca -0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ixo h ALA 169 Cb 1.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1ixo h ALA 169 CO 0.20 0.53 0.16 1.96 0.00 0.00 0.00 179.25 182.10 1ixo h GLN 170 N 0.97 0.36 -0.52 0.00 7.50 -1.34 -1.45 115.11 120.62 1ixo h GLN 170 Ca 0.24 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.34 1ixo h GLN 170 Cb 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.49 1ixo h GLN 170 CO -0.04 0.30 0.26 0.93 -1.50 0.00 0.00 178.83 178.78 1ixo h GLU 171 N 0.33 0.74 0.44 1.46 4.39 -1.28 -0.78 114.58 119.87 1ixo h GLU 171 Ca 0.09 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ixo h GLU 171 Cb 0.03 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ixo h GLU 171 CO -0.02 0.61 -0.38 1.25 -1.16 0.00 0.00 179.01 179.31 1ixo h LEU 172 N 0.69 -1.00 -0.84 1.33 6.46 -0.95 -1.11 115.31 119.89 1ixo h LEU 172 Ca 0.18 0.08 0.17 0.00 -0.12 0.00 0.00 57.88 58.19 1ixo h LEU 172 Cb 0.10 0.33 -0.10 0.00 -0.73 0.00 0.00 40.66 40.25 1ixo h LEU 172 CO -0.02 -0.54 0.38 0.00 -0.62 0.00 0.00 178.44 177.64 1ixo h ALA 173 N -0.42 1.27 -0.51 1.25 0.00 -1.13 0.23 119.26 119.94 1ixo h ALA 173 Ca -0.04 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ixo h ALA 173 Cb 0.71 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ixo h ALA 173 CO -0.03 -0.21 0.15 -0.09 0.00 0.00 0.00 179.25 179.07 1ixo h ARG 174 N 0.50 0.76 -0.13 0.00 2.43 -0.63 0.58 114.38 117.88 1ixo h ARG 174 Ca 0.48 -0.14 -0.22 0.00 -0.81 0.00 0.00 59.98 59.30 1ixo h ARG 174 Cb 0.78 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1ixo h ARG 174 CO -0.43 0.67 -0.78 0.82 -1.51 0.00 0.00 179.97 178.74 1ixo h ILE 175 N 0.74 1.30 -0.56 1.20 2.04 0.60 -1.71 117.51 121.12 1ixo h ILE 175 Ca 0.17 -2.02 -0.11 0.00 1.00 0.00 0.00 64.86 63.90 1ixo h ILE 175 Cb 0.23 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1ixo h ILE 175 CO -0.01 0.63 -0.06 0.00 0.00 0.00 0.00 178.15 178.71 1ixo h ALA 176 N 0.64 0.82 -0.18 1.87 0.00 -0.34 0.12 119.26 122.19 1ixo h ALA 176 Ca -0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1ixo h ALA 176 Cb 1.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ixo h ALA 176 CO 0.15 0.67 -0.09 1.57 0.00 0.00 0.00 179.25 181.56 1ixo h LYS 177 N 0.93 0.38 -0.72 0.00 -0.00 -0.90 -1.15 116.57 115.11 1ixo h LYS 177 Ca 0.15 -0.17 0.02 0.00 -0.00 0.00 0.00 60.65 60.66 1ixo h LYS 177 Cb 0.62 -0.01 -0.04 0.00 -0.00 0.00 0.00 32.23 32.80 1ixo h LYS 177 CO 0.04 0.68 0.48 0.00 -0.00 0.00 0.00 179.45 180.65 1ixo h ALA 178 N 0.69 1.52 -0.21 0.07 0.00 -1.17 0.24 119.26 120.40 1ixo h ALA 178 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ixo h ALA 178 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ixo h ALA 178 CO 0.03 0.42 0.03 0.00 0.00 0.00 0.00 179.25 179.73 1ixo h ALA 179 N 1.56 0.28 -0.63 0.00 0.00 -0.46 0.22 119.26 120.24 1ixo h ALA 179 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ixo h ALA 179 Cb -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ixo h ALA 179 CO -0.07 -0.04 0.27 1.15 0.00 0.00 0.00 179.25 180.56 1ixo h THR 180 N 0.15 1.23 0.26 0.00 2.02 -0.48 -1.66 112.91 114.42 1ixo h THR 180 Ca 0.06 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1ixo h THR 180 Cb 0.32 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1ixo h THR 180 CO 0.00 0.28 -0.12 0.15 0.37 0.00 0.00 175.52 176.20 1ixo h PHE 181 N 0.88 -0.32 -0.53 3.16 3.57 -0.34 -2.17 116.94 121.19 1ixo h PHE 181 Ca 0.21 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1ixo h PHE 181 Cb 0.18 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.94 1ixo h PHE 181 CO 0.01 -0.14 0.04 0.00 -2.23 0.00 0.00 178.31 175.99 1ixo h ALA 182 N 0.31 0.55 -0.96 2.41 0.00 -0.41 -1.24 119.26 119.92 1ixo h ALA 182 Ca -0.04 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ixo h ALA 182 Cb 0.32 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1ixo h ALA 182 CO 0.06 -0.36 0.60 0.00 0.00 0.00 0.00 179.25 179.55 1ixo h ALA 183 N 1.46 1.36 0.00 0.00 0.00 -1.08 -0.90 119.26 120.09 1ixo h ALA 183 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ixo h ALA 183 Cb 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ixo h ALA 183 CO -0.41 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 1ixo n SER 184 N -4.58 0.38 -1.24 0.00 3.41 -0.48 -0.92 113.62 110.20 1ixo n SER 184 Ca 0.16 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 1ixo n SER 184 Cb 0.24 -0.71 0.29 0.00 -0.26 0.00 0.00 64.21 63.77 1ixo n SER 184 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ixo n LEU 185 N -1.98 4.03 0.00 1.04 4.32 -0.37 -4.93 117.00 119.11 1ixo n LEU 185 Ca 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 56.01 53.73 1ixo n LEU 185 Cb 0.08 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1ixo n LEU 185 CO 0.10 0.84 0.00 0.61 -1.22 0.00 0.00 177.39 177.71 1ixo n GLY 186 N 1.00 0.70 3.81 -0.72 0.00 -0.09 -4.99 105.19 104.89 1ixo n GLY 186 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 4.33 0.01 0.99 1.43 -1.03 -5.00 118.68 119.42 1ixo s LEU 187 Ca 0.00 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.51 1ixo s LEU 187 Cb 0.00 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1ixo s LEU 187 CO 0.00 0.01 0.29 -0.54 0.23 0.00 0.00 176.35 176.34 1ixo s LYS 188 N -2.02 3.62 -0.07 1.70 1.02 -0.82 -3.96 119.74 119.22 1ixo s LYS 188 Ca 0.45 0.00 0.03 0.00 0.02 0.00 0.00 55.97 56.46 1ixo s LYS 188 Cb -0.17 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1ixo s LYS 188 CO 0.21 0.65 -0.14 0.54 -0.92 0.00 0.00 175.35 175.69 1ixo s VAL 189 N -1.27 1.28 0.49 3.17 0.11 -1.26 -1.88 120.40 121.04 1ixo s VAL 189 Ca 0.27 -0.57 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 1ixo s VAL 189 Cb -0.13 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1ixo s VAL 189 CO 0.15 0.39 0.36 0.20 -3.33 0.00 0.00 175.10 172.87 1ixo s ASN 190 N 0.55 4.71 0.32 3.54 0.01 -0.14 -0.99 114.94 122.94 1ixo s ASN 190 Ca -0.14 -1.08 -0.09 0.00 -0.71 0.00 0.00 52.86 50.84 1ixo s ASN 190 Cb -0.16 -0.00 0.01 0.00 0.41 0.00 0.00 41.25 41.51 1ixo s ASN 190 CO 0.04 -0.89 0.56 0.00 -1.51 0.00 0.00 177.10 175.30 1ixo s ALA 191 N -2.66 0.06 0.00 0.60 0.00 -0.86 -0.69 121.76 118.21 1ixo s ALA 191 Ca 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1ixo s ALA 191 Cb -0.01 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.12 1ixo s ALA 191 CO 0.23 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1ixo n GLY 192 N -0.50 3.02 0.10 0.00 0.00 -1.18 -1.04 105.19 105.60 1ixo n GLY 192 Ca -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1ixo n GLY 192 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ixo n HIS 193 N -1.96 0.00 -0.79 1.61 -0.00 -1.13 -2.97 115.22 109.99 1ixo n HIS 193 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ixo n HIS 193 Cb 0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.62 1ixo n HIS 193 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ixo n GLY 194 N 2.62 0.88 3.76 1.57 0.00 -1.26 -2.91 105.19 109.86 1ixo n GLY 194 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.45 0.32 0.99 1.43 -1.26 -4.74 118.68 119.87 1ixo s LEU 195 Ca 0.00 2.57 0.03 0.00 -1.03 0.00 0.00 54.13 55.70 1ixo s LEU 195 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1ixo s LEU 195 CO 0.00 -0.45 0.16 0.42 0.23 0.00 0.00 176.35 176.70 1ixo s THR 196 N -0.96 0.39 0.43 5.49 -4.23 -1.26 -4.41 115.64 111.09 1ixo s THR 196 Ca 0.49 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.10 1ixo s THR 196 Cb -0.38 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.24 1ixo s THR 196 CO 0.48 0.00 2.05 1.88 -0.54 0.00 0.00 174.62 178.49 1ixo h TYR 197 N 2.15 0.44 0.00 3.99 -1.99 -1.95 -0.99 116.97 118.61 1ixo h TYR 197 Ca -0.34 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.40 1ixo h TYR 197 Cb 1.25 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1ixo h TYR 197 CO 1.09 0.26 -0.69 0.72 -0.00 0.00 0.00 178.16 179.54 1ixo n HIS 198 N -4.48 0.38 0.07 4.88 8.25 -1.26 -4.31 115.22 118.75 1ixo n HIS 198 Ca 0.04 0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 1ixo n HIS 198 Cb 0.15 -0.52 0.01 0.00 1.12 0.00 0.00 29.99 30.74 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 -1.95 1.11 0.01 0.41 2.04 -0.95 -4.79 115.26 111.12 1ixo n ASN 199 Ca 0.03 -1.05 -0.06 0.00 -0.44 0.00 0.00 54.58 53.06 1ixo n ASN 199 Cb 0.42 0.03 0.13 0.00 -2.53 0.00 0.00 39.78 37.83 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 0.32 1.30 -0.42 3.53 3.04 -1.38 -3.34 116.25 119.30 1ixo h VAL 200 Ca 0.00 -1.54 0.04 0.00 -1.01 0.00 0.00 66.70 64.19 1ixo h VAL 200 Cb 0.07 1.55 -0.04 0.00 -2.01 0.00 0.00 31.29 30.86 1ixo h VAL 200 CO 0.00 0.48 0.20 0.11 -1.01 0.00 0.00 177.57 177.36 1ixo h LYS 201 N 0.43 0.40 -0.79 4.17 1.57 -1.86 0.69 116.57 121.18 1ixo h LYS 201 Ca 0.04 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1ixo h LYS 201 Cb 0.87 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 1ixo h LYS 201 CO 0.07 0.27 0.52 0.00 -0.57 0.00 0.00 179.45 179.74 1ixo h ALA 202 N 1.23 1.81 0.05 3.86 0.00 -1.94 0.14 119.26 124.42 1ixo h ALA 202 Ca 0.18 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1ixo h ALA 202 Cb 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ixo h ALA 202 CO -0.14 0.01 -0.60 0.82 0.00 0.00 0.00 179.25 179.34 1ixo h ILE 203 N 0.68 1.49 -0.04 0.00 1.08 -1.52 -3.26 117.51 115.95 1ixo h ILE 203 Ca 0.37 -2.25 0.01 0.00 -0.39 0.00 0.00 64.86 62.61 1ixo h ILE 203 Cb 0.52 2.89 -0.00 0.00 -3.07 0.00 0.00 36.82 37.16 1ixo h ILE 203 CO -0.14 0.64 0.03 0.00 -0.69 0.00 0.00 178.15 177.99 1ixo h ALA 204 N 0.21 1.83 0.00 1.87 0.00 -0.20 -0.79 119.26 122.18 1ixo h ALA 204 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ixo h ALA 204 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ixo h ALA 204 CO 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1ixo h ALA 205 N 1.97 1.00 -2.06 0.00 0.00 -0.78 -3.43 119.26 115.96 1ixo h ALA 205 Ca 0.02 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.37 1ixo h ALA 205 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ixo h ALA 205 CO -0.00 0.00 1.15 0.42 0.00 0.00 0.00 179.25 180.82 1ixo s ILE 206 N -3.41 3.63 0.49 0.00 1.01 -0.30 -4.88 121.20 117.73 1ixo s ILE 206 Ca 0.04 0.71 0.17 0.00 0.00 0.00 0.00 60.65 61.56 1ixo s ILE 206 Cb 0.09 -3.63 0.31 0.00 0.01 0.00 0.00 42.46 39.25 1ixo s ILE 206 CO 0.46 -0.25 2.06 1.55 0.00 0.00 0.00 174.94 178.76 1ixo h PRO 207 N 10.86 0.17 0.00 2.79 0.13 -1.87 -2.53 132.00 141.54 1ixo h PRO 207 Ca -0.35 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 1ixo h PRO 207 Cb 1.16 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ixo h PRO 207 CO 0.99 0.11 -0.06 0.93 -0.23 0.00 0.00 178.00 179.75 1ixo h GLU 208 N 0.17 0.00 -6.61 0.86 3.07 -1.92 -3.45 114.58 106.70 1ixo h GLU 208 Ca 0.15 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.45 1ixo h GLU 208 Cb 0.37 0.00 0.06 0.00 -0.84 0.00 0.00 28.75 28.34 1ixo h GLU 208 CO -0.02 0.06 0.88 -1.33 -1.40 0.00 0.00 179.01 177.19 1ixo n MET 209 N -3.16 2.46 -0.12 2.33 2.81 -0.96 -4.32 117.12 116.17 1ixo n MET 209 Ca 0.01 0.88 -0.22 0.00 -1.81 0.00 0.00 57.70 56.57 1ixo n MET 209 Cb 0.39 -2.68 -0.09 0.00 -0.71 0.00 0.00 33.22 30.12 1ixo n MET 209 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1ixo n HIS 210 N 3.38 0.00 -3.77 2.03 -0.00 -0.17 -4.88 115.22 111.81 1ixo n HIS 210 Ca 0.15 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.20 1ixo n HIS 210 Cb 0.32 -0.87 -0.11 0.00 -0.12 0.00 0.00 29.99 29.21 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 -2.45 0.40 -0.16 1.57 2.12 -1.26 -1.74 118.70 117.18 1ixo s GLU 211 Ca -0.33 0.33 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 1ixo s GLU 211 Cb 0.11 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1ixo s GLU 211 CO 0.47 -0.06 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.59 1ixo s LEU 212 N -0.05 3.27 -0.26 2.70 1.43 -0.67 -2.02 118.68 123.08 1ixo s LEU 212 Ca -0.02 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1ixo s LEU 212 Cb -0.03 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1ixo s LEU 212 CO 0.01 0.16 0.10 0.20 0.23 0.00 0.00 176.35 177.04 1ixo s ASN 213 N 0.44 5.31 0.00 2.29 0.01 -0.21 -1.32 114.94 121.46 1ixo s ASN 213 Ca -0.03 -0.20 0.03 0.00 -0.71 0.00 0.00 52.86 51.95 1ixo s ASN 213 Cb -0.14 -1.96 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1ixo s ASN 213 CO 0.03 -0.05 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.84 1ixo s ILE 214 N 1.64 0.80 0.00 0.60 1.01 -0.44 -2.84 121.20 121.98 1ixo s ILE 214 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1ixo s ILE 214 Cb -0.15 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1ixo s ILE 214 CO 0.05 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1ixo n GLY 215 N 2.63 -0.02 0.36 6.18 0.00 -1.26 -0.08 105.19 113.00 1ixo n GLY 215 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.96 -0.80 1.61 -0.00 -1.92 -1.01 115.15 112.06 1ixo h HIS 216 Ca 0.00 0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.50 1ixo h HIS 216 Cb 0.00 0.55 -0.05 0.00 -0.00 0.00 0.00 27.41 27.91 1ixo h HIS 216 CO 0.00 -0.40 0.50 0.00 -0.00 0.00 0.00 177.93 178.04 1ixo h ALA 217 N 1.33 1.07 -0.01 5.26 0.00 -1.94 -0.19 119.26 124.78 1ixo h ALA 217 Ca 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ixo h ALA 217 Cb 0.59 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ixo h ALA 217 CO -0.89 0.29 0.00 0.82 0.00 0.00 0.00 179.25 179.48 1ixo h ILE 218 N 0.96 1.13 -0.85 0.00 2.04 -1.53 -1.41 117.51 117.86 1ixo h ILE 218 Ca 0.33 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1ixo h ILE 218 Cb 0.07 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 1ixo h ILE 218 CO -0.13 0.10 0.56 0.40 0.00 0.00 0.00 178.15 179.08 1ixo h ILE 219 N -0.15 1.13 -0.16 -0.67 1.08 -0.90 0.14 117.51 117.98 1ixo h ILE 219 Ca 0.00 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 64.05 1ixo h ILE 219 Cb 0.17 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 1ixo h ILE 219 CO -0.00 0.19 -0.20 1.23 -0.69 0.00 0.00 178.15 178.68 1ixo h GLY 220 N 1.04 0.30 1.37 5.37 0.00 -0.78 -2.17 103.07 108.20 1ixo h GLY 220 Ca 0.34 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 1ixo h GLY 220 CO -0.10 0.19 -0.93 -0.09 0.00 0.00 0.00 176.54 175.61 1ixo h ARG 221 N 0.26 0.58 -0.70 4.80 9.65 -0.12 -3.32 114.38 125.53 1ixo h ARG 221 Ca 0.05 -0.58 0.07 0.00 -1.10 0.00 0.00 59.98 58.42 1ixo h ARG 221 Cb 0.50 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.19 1ixo h ARG 221 CO 0.03 1.20 0.46 0.00 2.80 0.00 0.00 179.97 184.46 1ixo h ALA 222 N 0.61 1.76 0.00 2.80 0.00 -0.14 -1.01 119.26 123.27 1ixo h ALA 222 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ixo h ALA 222 Cb 1.57 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ixo h ALA 222 CO 0.17 0.12 -0.07 -0.39 0.00 0.00 0.00 179.25 179.08 1ixo h VAL 223 N 0.69 0.39 0.00 0.00 -1.51 -1.56 1.04 116.25 115.29 1ixo h VAL 223 Ca 0.31 -0.40 -0.19 0.00 -1.23 0.00 0.00 66.70 65.18 1ixo h VAL 223 Cb 0.31 1.29 -0.03 0.00 -2.13 0.00 0.00 31.29 30.73 1ixo h VAL 223 CO -0.10 0.07 -1.28 0.23 -1.23 0.00 0.00 177.57 175.26 1ixo n MET 224 N -3.48 0.54 0.00 5.19 2.00 -0.50 -4.66 117.12 116.20 1ixo n MET 224 Ca -0.02 0.47 0.11 0.00 0.00 0.00 0.00 57.70 58.26 1ixo n MET 224 Cb 0.21 -1.65 -0.03 0.00 0.00 0.00 0.00 33.22 31.74 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 -4.45 0.00 0.00 2.03 -2.24 -0.50 -5.08 114.28 104.04 1ixo n THR 225 Ca -0.28 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1ixo n THR 225 Cb 0.59 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 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 1.44 -0.84 0.23 3.38 0.00 0.36 -4.57 105.19 105.18 1ixo n GLY 226 Ca 0.08 -1.37 0.01 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.05 -0.28 0.99 6.46 -1.91 -2.78 115.31 117.73 1ixo h LEU 227 Ca 0.00 0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 1ixo h LEU 227 Cb 0.00 0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 1ixo h LEU 227 CO 0.00 -0.02 -0.28 0.50 -0.62 0.00 0.00 178.44 178.02 1ixo h LYS 228 N 0.23 -0.26 -0.12 1.25 3.64 -1.87 0.30 116.57 119.74 1ixo h LYS 228 Ca 0.32 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1ixo h LYS 228 Cb 0.48 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1ixo h LYS 228 CO -0.43 -0.17 -0.43 -0.44 -2.27 0.00 0.00 179.45 175.71 1ixo h ASP 229 N -0.27 0.30 -0.57 4.20 3.32 -1.78 -1.70 116.42 119.92 1ixo h ASP 229 Ca 0.15 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1ixo h ASP 229 Cb 0.50 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1ixo h ASP 229 CO -0.43 0.69 -0.00 0.00 -1.72 0.00 0.00 179.24 177.78 1ixo h ALA 230 N 1.32 0.88 -0.04 3.45 0.00 -1.06 -0.89 119.26 122.93 1ixo h ALA 230 Ca 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1ixo h ALA 230 Cb 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ixo h ALA 230 CO 0.07 0.66 -0.06 0.28 0.00 0.00 0.00 179.25 180.19 1ixo h VAL 231 N 0.94 1.43 -0.94 0.00 2.07 -0.81 -2.84 116.25 116.10 1ixo h VAL 231 Ca 0.17 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.40 1ixo h VAL 231 Cb 0.55 2.26 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 1ixo h VAL 231 CO 0.03 0.37 0.61 0.00 0.02 0.00 0.00 177.57 178.60 1ixo h ALA 232 N 0.47 1.50 -0.24 1.67 0.00 -0.78 -1.12 119.26 120.76 1ixo h ALA 232 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ixo h ALA 232 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ixo h ALA 232 CO 0.01 0.34 0.11 1.49 0.00 0.00 0.00 179.25 181.20 1ixo h GLU 233 N 1.04 0.35 -0.30 0.00 4.57 -1.21 0.26 114.58 119.30 1ixo h GLU 233 Ca 0.42 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1ixo h GLU 233 Cb 0.26 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ixo h GLU 233 CO -0.17 0.37 0.14 1.98 -1.18 0.00 0.00 179.01 180.15 1ixo h MET 234 N 0.25 0.43 -0.47 1.92 4.05 -1.12 -0.79 114.93 119.21 1ixo h MET 234 Ca 0.08 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1ixo h MET 234 Cb 0.14 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1ixo h MET 234 CO -0.01 0.41 0.29 -0.22 0.23 0.00 0.00 176.91 177.62 1ixo h LYS 235 N 0.35 0.63 -0.34 0.39 1.63 -1.13 -1.62 116.57 116.48 1ixo h LYS 235 Ca 0.10 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1ixo h LYS 235 Cb 0.12 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1ixo h LYS 235 CO -0.01 0.45 0.11 -0.09 -3.45 0.00 0.00 179.45 176.46 1ixo h ARG 236 N 0.63 0.24 -0.72 1.90 2.43 -0.60 -1.51 114.38 116.75 1ixo h ARG 236 Ca 0.17 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1ixo h ARG 236 Cb -0.03 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1ixo h ARG 236 CO -0.03 0.16 0.44 -0.07 -1.51 0.00 0.00 179.97 178.96 1ixo h LEU 237 N 0.25 0.71 0.16 3.80 3.38 -0.79 -0.32 115.31 122.51 1ixo h LEU 237 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ixo h LEU 237 Cb 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ixo h LEU 237 CO -0.16 0.48 -0.08 0.24 0.09 0.00 0.00 178.44 179.01 1ixo h MET 238 N 0.85 -0.21 -0.46 1.13 2.86 -0.68 -1.54 114.93 116.88 1ixo h MET 238 Ca 0.30 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.93 1ixo h MET 238 Cb 0.07 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1ixo h MET 238 CO -0.13 -0.13 0.17 -0.07 1.06 0.00 0.00 176.91 177.81 1ixo h LEU 239 N -0.23 0.59 -0.65 1.22 3.38 -1.04 -1.79 115.31 116.80 1ixo h LEU 239 Ca -0.02 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ixo h LEU 239 Cb 0.17 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1ixo h LEU 239 CO 0.04 0.54 0.42 -0.33 0.09 0.00 0.00 178.44 179.21 1ixo h GLU 240 N 0.65 0.83 -0.88 1.13 5.08 -0.68 -2.74 114.58 117.97 1ixo h GLU 240 Ca 0.16 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1ixo h GLU 240 Cb 0.14 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1ixo h GLU 240 CO -0.01 0.55 0.58 0.00 -1.00 0.00 0.00 179.01 179.12 1ixo h ALA 241 N 1.25 1.15 -0.04 3.43 0.00 -0.40 -2.40 119.26 122.24 1ixo h ALA 241 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ixo h ALA 241 Cb -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1ixo h ALA 241 CO -0.06 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.18 1ixo n ARG 242 N -4.51 1.27 0.00 0.00 5.12 -1.06 -4.67 116.66 112.81 1ixo n ARG 242 Ca 0.11 -0.40 0.01 0.00 -1.93 0.00 0.00 57.85 55.64 1ixo n ARG 242 Cb 0.07 -1.38 0.01 0.00 -1.16 0.00 0.00 32.46 29.99 1ixo n ARG 242 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11