#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih1 s SER 9 N 0.00 5.47 0.52 1.08 0.01 -1.26 -5.04 113.70 114.48 3ih1 s SER 9 Ca 0.00 1.75 -0.14 0.00 1.31 0.00 0.00 55.95 58.86 3ih1 s SER 9 Cb 0.00 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.64 3ih1 s SER 9 CO 0.00 -1.38 0.97 0.42 0.41 0.00 0.00 173.24 173.66 3ih1 s THR 10 N -2.72 4.61 0.30 1.44 -4.23 -1.26 -4.91 115.64 108.87 3ih1 s THR 10 Ca 0.61 1.06 0.02 0.00 -1.18 0.00 0.00 61.69 62.21 3ih1 s THR 10 Cb -0.16 -3.76 0.29 0.00 1.34 0.00 0.00 72.50 70.22 3ih1 s THR 10 CO 0.46 -0.77 1.87 -0.61 -0.54 0.00 0.00 174.62 175.03 3ih1 h GLN 11 N 0.68 0.93 -0.17 3.99 -0.00 -1.88 0.25 115.11 118.91 3ih1 h GLN 11 Ca -0.46 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.04 3ih1 h GLN 11 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 28.44 3ih1 h GLN 11 CO 0.62 0.62 -0.31 1.49 0.00 0.00 0.00 178.83 181.25 3ih1 h GLU 12 N 0.96 0.33 -0.26 1.69 4.81 -1.93 -1.16 114.58 119.04 3ih1 h GLU 12 Ca 0.44 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3ih1 h GLU 12 Cb 0.41 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3ih1 h GLU 12 CO -0.20 0.61 -0.02 0.93 -0.73 0.00 0.00 179.01 179.60 3ih1 h GLU 13 N 0.29 0.46 -0.17 1.92 5.08 -1.38 -1.00 114.58 119.79 3ih1 h GLU 13 Ca 0.04 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3ih1 h GLU 13 Cb 0.69 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3ih1 h GLU 13 CO 0.05 0.65 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.42 3ih1 h LEU 14 N 0.23 0.28 -0.12 1.33 3.38 -0.87 -1.91 115.31 117.64 3ih1 h LEU 14 Ca 0.07 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3ih1 h LEU 14 Cb 0.45 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3ih1 h LEU 14 CO 0.02 0.52 -0.54 0.00 0.09 0.00 0.00 178.44 178.52 3ih1 h ALA 15 N 1.51 0.22 0.00 1.53 0.00 -1.13 -2.37 119.26 119.02 3ih1 h ALA 15 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3ih1 h ALA 15 Cb 0.54 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ih1 h ALA 15 CO 0.04 0.43 -0.06 -0.91 0.00 0.00 0.00 179.25 178.74 3ih1 h ASN 16 N 0.20 0.00 0.13 0.00 -0.26 -0.95 -1.64 115.58 113.05 3ih1 h ASN 16 Ca -0.03 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.50 3ih1 h ASN 16 Cb 1.18 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.45 3ih1 h ASN 16 CO 0.11 0.06 -0.97 -0.09 -1.06 0.00 0.00 177.43 175.48 3ih1 h ARG 17 N 0.00 0.26 -0.99 0.81 2.43 -1.35 -2.80 114.38 112.74 3ih1 h ARG 17 Ca -0.00 -0.45 0.09 0.00 -0.81 0.00 0.00 59.98 58.81 3ih1 h ARG 17 Cb 0.57 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.21 3ih1 h ARG 17 CO 0.01 1.22 0.63 0.35 -1.51 0.00 0.00 179.97 180.66 3ih1 h PHE 18 N -0.39 1.15 -0.49 2.20 3.57 -1.28 0.13 116.94 121.83 3ih1 h PHE 18 Ca -0.19 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.24 3ih1 h PHE 18 Cb 1.65 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3ih1 h PHE 18 CO 0.18 0.52 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.59 3ih1 h ARG 19 N 1.06 0.90 -0.29 1.11 2.43 -1.38 -0.78 114.38 117.43 3ih1 h ARG 19 Ca 0.46 -0.31 -0.15 0.00 -0.81 0.00 0.00 59.98 59.17 3ih1 h ARG 19 Cb 0.33 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3ih1 h ARG 19 CO -0.22 0.95 -0.43 0.00 -1.51 0.00 0.00 179.97 178.76 3ih1 h ALA 20 N 1.08 0.69 -0.74 2.80 0.00 -1.04 -1.39 119.26 120.66 3ih1 h ALA 20 Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3ih1 h ALA 20 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ih1 h ALA 20 CO 0.04 0.67 0.32 -0.07 0.00 0.00 0.00 179.25 180.21 3ih1 h LEU 21 N 0.59 0.98 0.29 0.00 3.38 -0.53 0.20 115.31 120.21 3ih1 h LEU 21 Ca 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ih1 h LEU 21 Cb 0.99 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3ih1 h LEU 21 CO 0.09 0.85 -0.14 0.58 0.09 0.00 0.00 178.44 179.91 3ih1 h VAL 22 N 1.05 0.75 0.00 1.22 2.07 -0.91 -3.05 116.25 117.39 3ih1 h VAL 22 Ca 0.25 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3ih1 h VAL 22 Cb 0.15 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3ih1 h VAL 22 CO -0.03 0.09 -0.04 -0.33 0.02 0.00 0.00 177.57 177.28 3ih1 h GLU 23 N -0.61 0.00 -6.77 1.57 4.39 -1.06 -3.45 114.58 108.64 3ih1 h GLU 23 Ca -0.04 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.13 3ih1 h GLU 23 Cb 0.44 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 29.30 3ih1 h GLU 23 CO 0.06 0.04 -0.61 0.00 -1.16 0.00 0.00 179.01 177.34 3ih1 n ALA 24 N -2.13 -2.72 0.04 3.43 0.00 0.70 -4.94 120.51 114.88 3ih1 n ALA 24 Ca -0.01 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.58 3ih1 n ALA 24 Cb 0.22 -1.78 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 3ih1 n ALA 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3ih1 h ASN 25 N -1.59 0.92 -3.26 0.00 -0.26 -1.87 -3.43 115.58 106.09 3ih1 h ASN 25 Ca -0.44 -0.73 -0.54 0.00 -0.56 0.00 0.00 56.30 54.03 3ih1 h ASN 25 Cb 1.29 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 38.26 3ih1 h ASN 25 CO 0.34 1.53 0.51 -0.70 -1.06 0.00 0.00 177.43 178.05 3ih1 s GLU 26 N -3.34 4.47 0.31 0.81 2.12 -1.26 -4.98 118.70 116.82 3ih1 s GLU 26 Ca -0.10 1.65 -0.29 0.00 0.36 0.00 0.00 54.97 56.59 3ih1 s GLU 26 Cb 0.07 -3.39 -0.12 0.00 0.26 0.00 0.00 34.13 30.95 3ih1 s GLU 26 CO 0.92 -0.20 1.46 1.51 -0.54 0.00 0.00 175.26 178.41 3ih1 n ILE 27 N 3.95 1.46 -3.25 -3.70 3.06 -1.26 -4.94 119.36 114.68 3ih1 n ILE 27 Ca 0.08 -0.36 -0.40 0.00 -2.50 0.00 0.00 62.75 59.57 3ih1 n ILE 27 Cb 0.48 -1.77 -0.08 0.00 0.54 0.00 0.00 39.64 38.82 3ih1 n ILE 27 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3ih1 s LEU 28 N -0.83 4.06 -0.11 9.51 2.96 -1.03 -5.00 118.68 128.25 3ih1 s LEU 28 Ca 0.60 0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 54.83 3ih1 s LEU 28 Cb -0.54 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 3ih1 s LEU 28 CO 0.55 -0.27 0.57 -1.10 -1.32 0.00 0.00 176.35 174.79 3ih1 s GLN 29 N 2.23 4.35 -0.43 1.98 -0.21 -1.26 -1.99 119.66 124.33 3ih1 s GLN 29 Ca 0.21 0.61 0.03 0.00 0.02 0.00 0.00 55.36 56.23 3ih1 s GLN 29 Cb -0.16 -3.46 0.12 0.00 1.00 0.00 0.00 33.01 30.52 3ih1 s GLN 29 CO 0.09 0.07 0.19 0.42 -2.12 0.00 0.00 175.29 173.95 3ih1 s ILE 30 N 0.85 1.86 0.43 1.08 1.01 -0.49 -4.45 121.20 121.51 3ih1 s ILE 30 Ca 0.30 -2.60 -0.22 0.00 0.00 0.00 0.00 60.65 58.13 3ih1 s ILE 30 Cb -0.16 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 3ih1 s ILE 30 CO 0.13 -0.78 1.04 -2.16 0.00 0.00 0.00 174.94 173.17 3ih1 s PRO 31 N 0.43 4.03 0.05 2.79 0.05 -1.25 -1.46 135.00 139.63 3ih1 s PRO 31 Ca 0.15 1.43 -0.30 0.00 0.05 0.00 0.00 61.00 62.33 3ih1 s PRO 31 Cb -0.23 -2.35 -0.04 0.00 0.05 0.00 0.00 34.50 31.93 3ih1 s PRO 31 CO -0.05 -0.24 1.03 0.20 0.05 0.00 0.00 177.00 177.99 3ih1 s GLY 32 N -1.76 2.82 -0.28 0.56 0.00 0.75 -0.65 107.32 108.76 3ih1 s GLY 32 Ca 0.62 0.63 0.03 0.00 0.00 0.00 0.00 44.72 46.00 3ih1 s GLY 32 CO 0.24 1.72 -0.04 0.00 0.00 0.00 0.00 173.10 175.01 3ih1 s ALA 33 N 0.74 2.46 -0.18 3.20 0.00 -0.11 -4.26 121.76 123.61 3ih1 s ALA 33 Ca 0.52 -1.87 0.23 0.00 0.00 0.00 0.00 51.96 50.84 3ih1 s ALA 33 Cb -0.24 -1.66 0.56 0.00 0.00 0.00 0.00 23.12 21.78 3ih1 s ALA 33 CO 0.29 -1.35 1.67 1.12 0.00 0.00 0.00 175.76 177.49 3ih1 h HIS 34 N 7.79 0.00 -3.61 0.00 2.07 -1.91 -3.43 115.15 116.06 3ih1 h HIS 34 Ca -0.14 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.13 3ih1 h HIS 34 Cb 1.04 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.96 3ih1 h HIS 34 CO 0.55 0.16 -0.19 -0.40 -3.07 0.00 0.00 177.93 174.97 3ih1 n ASP 35 N -3.18 -0.73 -0.82 3.10 5.68 -1.26 -4.84 116.55 114.49 3ih1 n ASP 35 Ca 0.02 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 3ih1 n ASP 35 Cb 0.52 1.47 0.00 0.00 -1.14 0.00 0.00 41.12 41.97 3ih1 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ih1 n ALA 36 N -1.44 1.61 0.00 2.12 0.00 -1.26 -1.42 120.51 120.12 3ih1 n ALA 36 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3ih1 n ALA 36 Cb 0.40 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3ih1 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih1 n ALA 38 N 0.69 0.00 -0.04 0.00 0.00 -1.26 -0.05 120.51 119.85 3ih1 n ALA 38 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3ih1 n ALA 38 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 3ih1 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih1 h ALA 39 N 0.00 0.18 -0.74 0.00 0.00 -1.56 -1.68 119.26 115.45 3ih1 h ALA 39 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ih1 h ALA 39 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ih1 h ALA 39 CO 0.00 -0.43 0.39 -0.07 0.00 0.00 0.00 179.25 179.14 3ih1 h LEU 40 N 0.06 0.93 -0.40 0.00 3.38 -0.74 -2.43 115.31 116.11 3ih1 h LEU 40 Ca 0.10 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3ih1 h LEU 40 Cb 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ih1 h LEU 40 CO -0.17 0.76 -0.65 0.58 0.09 0.00 0.00 178.44 179.05 3ih1 h VAL 41 N 1.04 1.33 -0.80 1.22 2.07 -1.71 -0.94 116.25 118.46 3ih1 h VAL 41 Ca 0.26 -1.94 0.04 0.00 0.82 0.00 0.00 66.70 65.89 3ih1 h VAL 41 Cb 0.05 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3ih1 h VAL 41 CO -0.04 0.60 0.52 0.00 0.02 0.00 0.00 177.57 178.67 3ih1 h ALA 42 N 0.86 1.55 -0.02 1.67 0.00 -1.01 0.17 119.26 122.48 3ih1 h ALA 42 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ih1 h ALA 42 Cb 1.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ih1 h ALA 42 CO 0.12 0.36 -0.03 -0.09 0.00 0.00 0.00 179.25 179.61 3ih1 h ARG 43 N 0.95 0.07 0.00 0.00 1.12 -1.05 -1.22 114.38 114.24 3ih1 h ARG 43 Ca 0.33 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.14 3ih1 h ARG 43 Cb 0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 3ih1 h ARG 43 CO -0.10 0.56 -0.07 -0.91 -3.11 0.00 0.00 179.97 176.35 3ih1 h ASN 44 N -0.43 0.00 1.11 -3.80 -0.26 -0.85 -0.48 115.58 110.87 3ih1 h ASN 44 Ca 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.59 3ih1 h ASN 44 Cb 0.55 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 3ih1 h ASN 44 CO 0.01 0.07 -0.71 0.74 -1.06 0.00 0.00 177.43 176.47 3ih1 h THR 45 N 0.00 1.29 0.00 2.81 2.02 -0.52 -3.48 112.91 115.03 3ih1 h THR 45 Ca -0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 3ih1 h THR 45 Cb 0.22 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3ih1 h THR 45 CO 0.01 0.70 0.00 0.61 0.37 0.00 0.00 175.52 177.21 3ih1 n GLY 46 N 1.06 1.45 3.80 2.16 0.00 -0.19 -5.08 105.19 108.39 3ih1 n GLY 46 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ih1 n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ih1 s PHE 47 N -2.00 3.10 -1.93 1.61 0.08 -0.52 -4.97 117.98 113.35 3ih1 s PHE 47 Ca 0.00 1.60 0.17 0.00 0.12 0.00 0.00 56.93 58.82 3ih1 s PHE 47 Cb 0.00 -3.04 0.08 0.00 -0.57 0.00 0.00 43.02 39.49 3ih1 s PHE 47 CO 0.00 -0.66 0.99 1.28 -0.10 0.00 0.00 175.22 176.73 3ih1 n LEU 48 N -0.74 2.13 -3.52 -0.37 4.77 -1.26 -4.59 117.00 113.42 3ih1 n LEU 48 Ca 0.08 -0.90 -0.17 0.00 -0.03 0.00 0.00 56.01 54.99 3ih1 n LEU 48 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 3ih1 n LEU 48 CO 0.40 0.39 0.42 0.00 -1.33 0.00 0.00 177.39 177.26 3ih1 s ALA 49 N -1.70 -1.70 0.24 -1.18 0.00 -1.26 -4.17 121.76 111.98 3ih1 s ALA 49 Ca 0.18 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.44 3ih1 s ALA 49 Cb 0.14 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 3ih1 s ALA 49 CO 0.31 -0.40 -0.17 -0.51 0.00 0.00 0.00 175.76 174.99 3ih1 s LEU 50 N -1.33 2.57 -0.04 0.00 1.43 -0.46 -3.94 118.68 116.91 3ih1 s LEU 50 Ca -0.10 -1.02 0.06 0.00 -1.03 0.00 0.00 54.13 52.04 3ih1 s LEU 50 Cb -0.00 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 3ih1 s LEU 50 CO 0.08 -0.06 -0.23 -0.47 0.23 0.00 0.00 176.35 175.90 3ih1 s TYR 51 N -2.72 2.19 -0.34 0.29 5.04 0.18 -0.99 117.35 120.99 3ih1 s TYR 51 Ca 0.26 -0.57 -0.08 0.00 -2.44 0.00 0.00 57.07 54.24 3ih1 s TYR 51 Cb -0.03 -1.43 0.03 0.00 0.35 0.00 0.00 41.96 40.87 3ih1 s TYR 51 CO 0.11 -0.15 0.14 -1.17 -1.34 0.00 0.00 175.55 173.14 3ih1 s LEU 52 N -0.25 4.36 -0.03 6.97 2.96 0.15 -0.94 118.68 131.90 3ih1 s LEU 52 Ca 0.01 -0.96 -0.16 0.00 -0.22 0.00 0.00 54.13 52.79 3ih1 s LEU 52 Cb -0.12 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3ih1 s LEU 52 CO 0.02 -0.31 0.43 -0.55 -1.32 0.00 0.00 176.35 174.61 3ih1 s SER 53 N 1.49 6.77 0.17 3.68 0.15 -1.26 -1.41 113.70 123.29 3ih1 s SER 53 Ca 0.01 0.92 -0.12 0.00 0.70 0.00 0.00 55.95 57.46 3ih1 s SER 53 Cb -0.19 -2.26 0.07 0.00 -1.71 0.00 0.00 66.02 61.94 3ih1 s SER 53 CO 0.04 0.23 1.72 1.23 1.20 0.00 0.00 173.24 177.66 3ih1 h GLY 54 N 5.30 0.99 0.91 9.45 0.00 -1.94 0.13 103.07 117.90 3ih1 h GLY 54 Ca -0.48 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.24 3ih1 h GLY 54 CO 0.66 0.53 0.05 0.00 0.00 0.00 0.00 176.54 177.77 3ih1 h ALA 55 N 1.07 0.45 -0.18 3.60 0.00 -1.95 -2.60 119.26 119.65 3ih1 h ALA 55 Ca 0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ih1 h ALA 55 Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ih1 h ALA 55 CO -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.29 3ih1 h ALA 56 N 0.89 0.25 0.58 0.00 0.00 -1.81 -1.69 119.26 117.48 3ih1 h ALA 56 Ca 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ih1 h ALA 56 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3ih1 h ALA 56 CO 0.01 0.10 -0.48 -0.92 0.00 0.00 0.00 179.25 177.95 3ih1 h TYR 57 N 0.06 -1.33 -0.32 0.00 3.20 -0.76 -0.25 116.97 117.58 3ih1 h TYR 57 Ca 0.04 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3ih1 h TYR 57 Cb 0.61 0.50 -0.07 0.00 1.54 0.00 0.00 36.73 39.31 3ih1 h TYR 57 CO 0.07 -0.67 -0.13 1.79 -1.64 0.00 0.00 178.16 177.58 3ih1 h THR 58 N -1.03 0.57 -0.83 1.81 1.35 -1.55 -1.12 112.91 112.11 3ih1 h THR 58 Ca -0.07 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.90 3ih1 h THR 58 Cb 0.87 0.57 -0.06 0.00 -1.73 0.00 0.00 68.15 67.80 3ih1 h THR 58 CO -0.01 0.00 0.54 0.00 -0.25 0.00 0.00 175.52 175.80 3ih1 h ALA 59 N 1.20 1.78 0.00 6.62 0.00 -1.06 0.20 119.26 128.00 3ih1 h ALA 59 Ca 0.16 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3ih1 h ALA 59 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ih1 h ALA 59 CO -0.37 0.03 -0.27 0.66 0.00 0.00 0.00 179.25 179.30 3ih1 h SER 60 N 0.72 0.00 -0.29 0.00 4.64 0.23 0.15 113.55 119.00 3ih1 h SER 60 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3ih1 h SER 60 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3ih1 h SER 60 CO -0.16 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 3ih1 n LYS 61 N -3.89 2.02 -2.22 4.77 5.02 0.54 -4.94 118.16 119.46 3ih1 n LYS 61 Ca -0.02 -1.55 -0.07 0.00 -2.02 0.00 0.00 58.31 54.65 3ih1 n LYS 61 Cb 0.35 -1.42 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3ih1 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ih1 n GLY 62 N 1.26 0.11 3.44 0.72 0.00 0.04 -5.05 105.19 105.71 3ih1 n GLY 62 Ca 0.17 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 3ih1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ih1 s LEU 63 N -2.21 2.50 0.54 0.99 1.43 -0.14 -4.97 118.68 116.83 3ih1 s LEU 63 Ca 0.02 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 3ih1 s LEU 63 Cb -0.01 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 3ih1 s LEU 63 CO 0.03 0.12 0.93 -2.84 0.23 0.00 0.00 176.35 174.82 3ih1 s PRO 64 N -2.70 3.67 -1.15 1.29 0.02 -1.26 -2.66 135.00 132.20 3ih1 s PRO 64 Ca 0.21 0.63 -0.21 0.00 0.02 0.00 0.00 61.00 61.65 3ih1 s PRO 64 Cb -0.08 -2.19 0.03 0.00 0.02 0.00 0.00 34.50 32.28 3ih1 s PRO 64 CO 0.10 -0.37 1.69 0.34 -0.33 0.00 0.00 177.00 178.44 3ih1 s ASP 65 N -3.85 6.31 0.00 2.53 2.15 -1.26 -4.54 116.67 118.01 3ih1 s ASP 65 Ca 0.53 -1.84 0.00 0.00 0.43 0.00 0.00 52.55 51.68 3ih1 s ASP 65 Cb -0.11 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3ih1 s ASP 65 CO 0.45 -1.70 0.68 0.18 -0.17 0.00 0.00 175.17 174.61 3ih1 n LEU 66 N 9.93 1.02 -0.52 -1.34 4.77 -1.26 -5.01 117.00 124.60 3ih1 n LEU 66 Ca 0.42 -1.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.36 3ih1 n LEU 66 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3ih1 n LEU 66 CO 0.70 0.25 -0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3ih1 n GLY 67 N -0.22 0.53 0.34 -0.72 0.00 -1.26 -4.95 105.19 98.90 3ih1 n GLY 67 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.36 3ih1 n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ih1 n ILE 68 N -3.41 0.42 -3.41 -0.61 -5.35 -1.26 -4.94 119.36 100.80 3ih1 n ILE 68 Ca -0.01 -0.71 -0.31 0.00 -0.27 0.00 0.00 62.75 61.44 3ih1 n ILE 68 Cb 0.51 0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 39.24 3ih1 n ILE 68 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 3ih1 s VAL 69 N -0.77 4.96 0.39 7.28 -7.23 -1.26 -5.10 120.40 118.68 3ih1 s VAL 69 Ca 0.11 0.37 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 3ih1 s VAL 69 Cb 0.07 -3.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.36 3ih1 s VAL 69 CO 0.10 -0.11 0.58 0.42 -0.31 0.00 0.00 175.10 175.78 3ih1 s THR 70 N -1.85 4.32 0.30 5.32 -4.23 -1.26 -5.00 115.64 113.24 3ih1 s THR 70 Ca 0.46 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 3ih1 s THR 70 Cb -0.11 -3.57 0.14 0.00 1.34 0.00 0.00 72.50 70.30 3ih1 s THR 70 CO 0.23 -0.34 1.82 0.77 -0.54 0.00 0.00 174.62 176.56 3ih1 h SER 71 N 0.62 0.61 -0.55 3.99 4.64 -1.94 -2.37 113.55 118.55 3ih1 h SER 71 Ca -0.47 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3ih1 h SER 71 Cb 1.24 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 3ih1 h SER 71 CO 0.57 0.68 0.35 0.71 -0.87 0.00 0.00 176.83 178.28 3ih1 h THR 72 N 0.61 1.15 0.07 2.95 1.35 -1.98 0.44 112.91 117.50 3ih1 h THR 72 Ca 0.13 -0.32 0.02 0.00 -0.55 0.00 0.00 66.41 65.69 3ih1 h THR 72 Cb 0.39 0.37 -0.05 0.00 -1.73 0.00 0.00 68.15 67.13 3ih1 h THR 72 CO 0.01 0.15 -0.45 -0.33 -0.25 0.00 0.00 175.52 174.65 3ih1 h GLU 73 N 0.74 -0.63 -0.50 4.72 5.08 -1.83 -0.65 114.58 121.52 3ih1 h GLU 73 Ca 0.20 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3ih1 h GLU 73 Cb -0.05 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3ih1 h GLU 73 CO -0.04 -0.42 0.27 0.28 -1.00 0.00 0.00 179.01 178.10 3ih1 h VAL 74 N -0.65 0.99 -0.96 3.13 2.07 -1.27 -2.51 116.25 117.05 3ih1 h VAL 74 Ca 0.02 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.50 3ih1 h VAL 74 Cb 0.70 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3ih1 h VAL 74 CO -0.29 0.10 0.61 0.00 0.02 0.00 0.00 177.57 178.00 3ih1 h ALA 75 N 1.25 1.66 -0.04 1.67 0.00 0.32 -0.32 119.26 123.80 3ih1 h ALA 75 Ca 0.21 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 3ih1 h ALA 75 Cb 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ih1 h ALA 75 CO -0.13 0.08 -0.93 1.05 0.00 0.00 0.00 179.25 179.31 3ih1 h GLU 76 N 0.85 0.64 -0.07 0.00 4.11 -0.72 -1.28 114.58 118.11 3ih1 h GLU 76 Ca 0.49 -0.63 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 3ih1 h GLU 76 Cb 0.64 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3ih1 h GLU 76 CO -0.26 1.24 -0.00 -0.09 0.07 0.00 0.00 179.01 179.97 3ih1 h ARG 77 N 0.39 0.13 -0.92 1.06 9.65 -1.17 -1.87 114.38 121.65 3ih1 h ARG 77 Ca -0.09 -0.04 0.15 0.00 -1.10 0.00 0.00 59.98 58.89 3ih1 h ARG 77 Cb 1.57 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 30.07 3ih1 h ARG 77 CO 0.18 0.40 0.59 0.00 2.80 0.00 0.00 179.97 183.94 3ih1 h ALA 78 N 0.72 1.79 -0.28 2.80 0.00 -1.09 0.14 119.26 123.35 3ih1 h ALA 78 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ih1 h ALA 78 Cb 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ih1 h ALA 78 CO 0.00 -0.05 0.16 -0.09 0.00 0.00 0.00 179.25 179.27 3ih1 h ARG 79 N 0.73 0.31 -0.79 0.00 2.43 -0.99 -2.03 114.38 114.04 3ih1 h ARG 79 Ca 0.47 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.72 3ih1 h ARG 79 Cb 0.72 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 3ih1 h ARG 79 CO -0.23 0.21 0.43 -0.44 -1.51 0.00 0.00 179.97 178.43 3ih1 h ASP 80 N 0.32 0.57 -0.21 -3.80 3.45 -0.16 -1.79 116.42 114.80 3ih1 h ASP 80 Ca 0.11 0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.53 3ih1 h ASP 80 Cb 0.01 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3ih1 h ASP 80 CO -0.06 0.31 -0.27 -0.07 -1.57 0.00 0.00 179.24 177.57 3ih1 h LEU 81 N 0.69 0.60 -0.91 1.55 4.07 -1.03 -2.58 115.31 117.70 3ih1 h LEU 81 Ca 0.40 -0.51 -0.11 0.00 0.08 0.00 0.00 57.88 57.74 3ih1 h LEU 81 Cb 0.43 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 3ih1 h LEU 81 CO -0.28 0.99 -0.50 0.58 -1.08 0.00 0.00 178.44 178.14 3ih1 h VAL 82 N 0.23 1.36 -0.30 1.22 2.07 -1.23 -3.00 116.25 116.61 3ih1 h VAL 82 Ca 0.02 -1.74 -0.18 0.00 0.82 0.00 0.00 66.70 65.63 3ih1 h VAL 82 Cb 0.84 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3ih1 h VAL 82 CO 0.06 0.50 -0.51 -0.09 0.02 0.00 0.00 177.57 177.56 3ih1 h ARG 83 N 0.08 0.84 -0.31 1.57 2.43 -1.30 0.07 114.38 117.75 3ih1 h ARG 83 Ca 0.00 -0.51 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 3ih1 h ARG 83 Cb 0.92 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3ih1 h ARG 83 CO 0.07 1.15 -0.25 0.00 -1.51 0.00 0.00 179.97 179.42 3ih1 h ALA 84 N 0.76 0.97 0.00 2.80 0.00 -1.37 -3.39 119.26 119.03 3ih1 h ALA 84 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ih1 h ALA 84 Cb 1.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3ih1 h ALA 84 CO 0.11 0.60 -0.90 0.25 0.00 0.00 0.00 179.25 179.31 3ih1 n THR 85 N -4.11 0.00 -3.31 0.00 -2.24 -1.14 -4.93 114.28 98.56 3ih1 n THR 85 Ca -0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3ih1 n THR 85 Cb 0.43 -0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3ih1 n THR 85 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ih1 n ASP 86 N -1.56 -5.55 -4.95 3.42 2.03 0.01 -5.00 116.55 104.94 3ih1 n ASP 86 Ca 0.00 -0.42 -0.24 0.00 0.52 0.00 0.00 54.79 54.66 3ih1 n ASP 86 Cb 0.19 -4.47 -0.03 0.00 -0.72 0.00 0.00 41.12 36.10 3ih1 n ASP 86 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ih1 s LEU 87 N -6.84 4.31 0.21 -2.67 1.43 -1.26 -4.89 118.68 108.97 3ih1 s LEU 87 Ca 0.42 0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 3ih1 s LEU 87 Cb -0.20 -2.87 -0.11 0.00 0.03 0.00 0.00 46.19 43.04 3ih1 s LEU 87 CO 0.52 -0.00 1.61 -2.84 0.23 0.00 0.00 176.35 175.87 3ih1 s PRO 88 N -3.57 4.18 -0.07 1.29 0.02 -1.26 -4.83 135.00 130.75 3ih1 s PRO 88 Ca 0.34 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.88 3ih1 s PRO 88 Cb -0.10 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 3ih1 s PRO 88 CO 0.29 -0.64 -0.22 0.08 -0.33 0.00 0.00 177.00 176.17 3ih1 s VAL 89 N 0.85 2.27 -0.27 3.83 1.01 -1.26 -1.36 120.40 125.47 3ih1 s VAL 89 Ca 0.69 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3ih1 s VAL 89 Cb -0.46 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3ih1 s VAL 89 CO 0.35 0.57 0.10 -0.22 0.00 0.00 0.00 175.10 175.89 3ih1 s LEU 90 N -0.09 3.69 -0.22 3.92 2.96 -0.16 -0.85 118.68 127.92 3ih1 s LEU 90 Ca -0.05 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 3ih1 s LEU 90 Cb -0.14 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3ih1 s LEU 90 CO 0.04 -0.10 0.05 -0.69 -1.32 0.00 0.00 176.35 174.34 3ih1 s VAL 91 N 1.60 4.33 -0.42 1.68 1.01 0.13 -0.67 120.40 128.06 3ih1 s VAL 91 Ca 0.05 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 3ih1 s VAL 91 Cb -0.16 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3ih1 s VAL 91 CO 0.04 0.38 1.77 -0.62 0.00 0.00 0.00 175.10 176.67 3ih1 s ASP 92 N 1.22 5.78 -0.15 3.32 -1.08 -0.50 -0.95 116.67 124.30 3ih1 s ASP 92 Ca 0.04 0.97 0.16 0.00 -0.52 0.00 0.00 52.55 53.21 3ih1 s ASP 92 Cb -0.14 -2.53 0.64 0.00 -1.46 0.00 0.00 42.92 39.43 3ih1 s ASP 92 CO 0.03 -1.86 1.56 2.30 0.52 0.00 0.00 175.17 177.72 3ih1 n ILE 93 N 7.32 2.10 0.00 4.11 -5.35 -0.55 -4.55 119.36 122.44 3ih1 n ILE 93 Ca 0.21 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.27 3ih1 n ILE 93 Cb 0.48 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 3ih1 n ILE 93 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3ih1 n ASP 94 N 0.46 0.00 -1.36 7.28 8.00 -1.24 -0.51 116.55 129.17 3ih1 n ASP 94 Ca 0.23 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.84 3ih1 n ASP 94 Cb 0.91 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.33 3ih1 n ASP 94 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ih1 n THR 95 N 0.00 1.19 -0.30 -3.53 -2.24 -1.26 -0.76 114.28 107.37 3ih1 n THR 95 Ca 0.00 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3ih1 n THR 95 Cb 0.00 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3ih1 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ih1 n GLY 96 N 1.44 0.79 3.42 3.38 0.00 0.33 -4.39 105.19 110.15 3ih1 n GLY 96 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 3ih1 n GLY 96 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ih1 n PHE 97 N -2.21 -2.23 0.00 1.61 3.72 -1.25 -3.67 117.46 113.43 3ih1 n PHE 97 Ca 0.00 0.89 0.00 0.00 -0.05 0.00 0.00 57.45 58.29 3ih1 n PHE 97 Cb 0.00 -4.68 0.00 0.00 -0.94 0.00 0.00 39.48 33.86 3ih1 n PHE 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ih1 n GLY 98 N -1.23 0.64 0.82 1.37 0.00 -1.26 -4.75 105.19 100.78 3ih1 n GLY 98 Ca -0.22 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.64 3ih1 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih1 n GLY 99 N 0.00 -1.54 0.30 -0.02 0.00 -1.26 -4.53 105.19 98.15 3ih1 n GLY 99 Ca 0.00 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.48 3ih1 n GLY 99 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ih1 h VAL 100 N -1.32 0.65 0.00 1.61 2.07 -1.96 0.26 116.25 117.57 3ih1 h VAL 100 Ca -0.09 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ih1 h VAL 100 Cb 0.26 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3ih1 h VAL 100 CO 0.06 0.10 -0.28 -0.07 0.02 0.00 0.00 177.57 177.40 3ih1 h LEU 101 N 0.54 0.00 -0.02 2.57 3.38 -1.99 -1.37 115.31 118.41 3ih1 h LEU 101 Ca 0.48 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.31 3ih1 h LEU 101 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 3ih1 h LEU 101 CO -0.41 0.28 -0.52 0.78 0.09 0.00 0.00 178.44 178.66 3ih1 h ASN 102 N 0.00 0.49 -0.79 -0.43 2.35 -1.32 -2.63 115.58 113.24 3ih1 h ASN 102 Ca -0.00 -0.74 0.10 0.00 -0.55 0.00 0.00 56.30 55.11 3ih1 h ASN 102 Cb 0.94 -0.15 -0.08 0.00 0.05 0.00 0.00 38.32 39.09 3ih1 h ASN 102 CO 0.04 1.16 0.42 0.58 -1.65 0.00 0.00 177.43 177.98 3ih1 h VAL 103 N -0.13 0.85 -0.26 2.81 2.07 -0.37 0.14 116.25 121.36 3ih1 h VAL 103 Ca -0.06 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3ih1 h VAL 103 Cb 1.22 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3ih1 h VAL 103 CO 0.10 0.13 0.16 0.00 0.02 0.00 0.00 177.57 177.98 3ih1 h ALA 104 N 1.47 0.32 -0.33 1.67 0.00 -1.25 -0.51 119.26 120.64 3ih1 h ALA 104 Ca 0.39 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3ih1 h ALA 104 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ih1 h ALA 104 CO -0.28 -0.21 0.18 -0.09 0.00 0.00 0.00 179.25 178.85 3ih1 h ARG 105 N 0.34 0.36 -0.56 0.00 9.65 -1.02 -2.30 114.38 120.85 3ih1 h ARG 105 Ca 0.10 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 3ih1 h ARG 105 Cb -0.03 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 3ih1 h ARG 105 CO -0.03 0.24 0.27 1.15 2.80 0.00 0.00 179.97 184.41 3ih1 h THR 106 N 0.37 0.92 0.39 0.20 2.02 -0.65 -1.51 112.91 114.65 3ih1 h THR 106 Ca 0.13 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3ih1 h THR 106 Cb 0.02 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3ih1 h THR 106 CO -0.07 0.09 -0.44 0.00 0.37 0.00 0.00 175.52 175.47 3ih1 h ALA 107 N 1.31 -0.95 -0.57 6.16 0.00 -0.72 -3.01 119.26 121.48 3ih1 h ALA 107 Ca 0.25 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ih1 h ALA 107 Cb 0.19 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3ih1 h ALA 107 CO -0.19 -1.08 0.33 0.28 0.00 0.00 0.00 179.25 178.59 3ih1 h VAL 108 N -0.86 1.02 0.00 0.00 2.07 -1.16 0.14 116.25 117.46 3ih1 h VAL 108 Ca -0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3ih1 h VAL 108 Cb 0.78 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3ih1 h VAL 108 CO -0.09 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 176.99 3ih1 n GLU 109 N -4.80 0.00 0.00 1.57 1.02 -0.59 0.07 120.64 117.92 3ih1 n GLU 109 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3ih1 n GLU 109 Cb 0.11 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 3ih1 n GLU 109 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ih1 n VAL 111 N 0.36 0.00 -0.21 2.62 0.31 0.50 -0.70 118.33 121.21 3ih1 n VAL 111 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3ih1 n VAL 111 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 3ih1 n VAL 111 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ih1 h GLU 112 N 0.00 0.82 0.00 5.55 5.08 -0.61 -2.26 114.58 123.16 3ih1 h GLU 112 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3ih1 h GLU 112 Cb 0.00 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.09 3ih1 h GLU 112 CO 0.00 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 3ih1 n ALA 113 N -2.32 1.60 -1.11 3.43 0.00 0.12 -4.82 120.51 117.41 3ih1 n ALA 113 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 3ih1 n ALA 113 Cb 0.10 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 3ih1 n ALA 113 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ih1 n LYS 114 N -1.32 -0.27 -1.98 0.00 4.76 -0.85 -4.56 118.16 113.93 3ih1 n LYS 114 Ca 0.04 0.63 -0.41 0.00 -2.87 0.00 0.00 58.31 55.70 3ih1 n LYS 114 Cb 0.09 -4.29 -0.02 0.00 -1.84 0.00 0.00 35.03 28.97 3ih1 n LYS 114 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ih1 s VAL 115 N -2.14 2.51 -0.08 -0.18 1.01 -1.26 -4.74 120.40 115.51 3ih1 s VAL 115 Ca 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 3ih1 s VAL 115 Cb 0.00 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 3ih1 s VAL 115 CO 0.00 0.09 0.55 0.00 0.00 0.00 0.00 175.10 175.74 3ih1 h ALA 116 N 4.24 -0.14 -3.11 5.51 0.00 -1.66 -3.43 119.26 120.68 3ih1 h ALA 116 Ca -0.48 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 53.98 3ih1 h ALA 116 Cb 1.22 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 3ih1 h ALA 116 CO 0.72 -0.16 -0.72 0.00 0.00 0.00 0.00 179.25 179.09 3ih1 s ALA 117 N -3.04 0.46 0.17 0.00 0.00 -0.03 -1.93 121.76 117.39 3ih1 s ALA 117 Ca -0.10 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.22 3ih1 s ALA 117 Cb -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3ih1 s ALA 117 CO 0.35 -0.06 -0.19 0.14 0.00 0.00 0.00 175.76 176.00 3ih1 s VAL 118 N -1.44 1.92 -0.13 0.00 -7.23 0.50 -0.70 120.40 113.33 3ih1 s VAL 118 Ca -0.11 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 3ih1 s VAL 118 Cb -0.10 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 34.95 3ih1 s VAL 118 CO -0.00 -0.29 -0.21 -1.58 -0.31 0.00 0.00 175.10 172.71 3ih1 s GLN 119 N -2.81 3.06 0.00 4.82 0.74 -0.13 -0.17 119.66 125.18 3ih1 s GLN 119 Ca 0.17 -0.84 0.06 0.00 0.05 0.00 0.00 55.36 54.80 3ih1 s GLN 119 Cb -0.06 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.60 3ih1 s GLN 119 CO 0.07 0.04 -0.20 -1.50 -0.55 0.00 0.00 175.29 173.16 3ih1 s ILE 120 N 0.69 1.56 0.23 -2.34 2.07 -0.19 -1.49 121.20 121.73 3ih1 s ILE 120 Ca -0.10 -0.93 0.10 0.00 -1.41 0.00 0.00 60.65 58.32 3ih1 s ILE 120 Cb -0.16 -1.31 -0.05 0.00 0.13 0.00 0.00 42.46 41.07 3ih1 s ILE 120 CO 0.01 0.37 -0.19 -1.83 -1.91 0.00 0.00 174.94 171.38 3ih1 s GLU 121 N -0.66 1.51 -0.07 3.50 -1.05 0.06 -0.24 118.70 121.75 3ih1 s GLU 121 Ca 0.07 -1.63 0.14 0.00 -0.15 0.00 0.00 54.97 53.41 3ih1 s GLU 121 Cb -0.08 -1.58 0.53 0.00 -0.44 0.00 0.00 34.13 32.56 3ih1 s GLU 121 CO -0.00 0.30 1.41 -0.40 0.95 0.00 0.00 175.26 177.52 3ih1 n ASP 122 N -0.25 3.53 -4.74 0.83 5.68 -0.86 -4.47 116.55 116.26 3ih1 n ASP 122 Ca -0.08 -2.27 -0.32 0.00 -0.50 0.00 0.00 54.79 51.61 3ih1 n ASP 122 Cb 0.59 -0.47 0.09 0.00 -1.14 0.00 0.00 41.12 40.18 3ih1 n ASP 122 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3ih1 s GLN 123 N -1.68 2.21 -0.10 0.11 -0.21 -1.26 -0.26 119.66 118.48 3ih1 s GLN 123 Ca 0.38 1.42 -0.13 0.00 0.02 0.00 0.00 55.36 57.05 3ih1 s GLN 123 Cb 0.24 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 32.32 3ih1 s GLN 123 CO 0.19 -1.71 0.31 -1.14 -2.12 0.00 0.00 175.29 170.82 3ih1 s GLN 124 N -4.40 3.97 -0.03 2.91 0.74 -1.00 -4.37 119.66 117.48 3ih1 s GLN 124 Ca 0.67 0.17 -0.04 0.00 0.05 0.00 0.00 55.36 56.21 3ih1 s GLN 124 Cb -0.21 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.60 3ih1 s GLN 124 CO 0.49 0.50 0.10 -0.51 -0.55 0.00 0.00 175.29 175.33 3ih1 s LEU 125 N -0.37 1.63 1.00 3.68 1.43 -1.26 -4.40 118.68 120.40 3ih1 s LEU 125 Ca 0.19 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.27 3ih1 s LEU 125 Cb -0.14 0.37 0.20 0.00 0.03 0.00 0.00 46.19 46.64 3ih1 s LEU 125 CO 0.07 -0.08 1.19 -2.84 0.23 0.00 0.00 176.35 174.93 3ih1 s PRO 126 N -0.14 0.35 0.11 1.29 0.02 -1.26 -4.93 135.00 130.44 3ih1 s PRO 126 Ca -0.02 -0.03 -0.02 0.00 0.02 0.00 0.00 61.00 60.95 3ih1 s PRO 126 Cb -0.02 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.68 3ih1 s PRO 126 CO 0.00 -2.67 0.30 0.15 -0.33 0.00 0.00 177.00 174.46 3ih1 s LYS 127 N -5.51 3.53 0.90 5.54 1.02 -1.26 -5.10 119.74 118.85 3ih1 s LYS 127 Ca 0.69 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 56.28 3ih1 s LYS 127 Cb -0.10 -2.93 0.13 0.00 -0.52 0.00 0.00 37.83 34.41 3ih1 s LYS 127 CO 0.54 0.53 1.09 0.15 -0.92 0.00 0.00 175.35 176.74 3ih1 s LYS 128 N -2.67 1.22 0.52 1.68 1.02 -1.26 -4.85 119.74 115.40 3ih1 s LYS 128 Ca 0.38 0.86 -0.21 0.00 0.02 0.00 0.00 55.97 57.02 3ih1 s LYS 128 Cb -0.12 -1.80 -0.06 0.00 -0.52 0.00 0.00 37.83 35.33 3ih1 s LYS 128 CO 0.27 -2.28 1.21 0.00 -0.92 0.00 0.00 175.35 173.62 3ih1 n GLY 130 N 0.47 1.68 1.87 0.00 0.00 -1.26 -4.64 105.19 103.31 3ih1 n GLY 130 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3ih1 n GLY 130 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ih1 n HIS 131 N 0.00 2.42 -0.03 1.61 -0.00 -1.18 -4.70 115.22 113.33 3ih1 n HIS 131 Ca 0.00 -2.25 -0.13 0.00 -0.00 0.00 0.00 57.72 55.34 3ih1 n HIS 131 Cb 0.00 -0.78 -0.07 0.00 -0.00 0.00 0.00 29.99 29.14 3ih1 n HIS 131 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3ih1 h LEU 132 N 1.66 -1.46 0.00 2.41 5.85 -1.77 -0.86 115.31 121.14 3ih1 h LEU 132 Ca 0.42 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.33 3ih1 h LEU 132 Cb 1.47 0.59 0.00 0.00 0.37 0.00 0.00 40.66 43.10 3ih1 h LEU 132 CO 0.93 -0.43 0.00 0.59 -0.34 0.00 0.00 178.44 179.19 3ih1 n ASN 133 N -5.43 0.00 -4.53 1.25 3.02 -1.26 -4.86 115.26 103.45 3ih1 n ASN 133 Ca -0.04 -0.78 -0.31 0.00 -0.03 0.00 0.00 54.58 53.41 3ih1 n ASN 133 Cb 0.37 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.70 3ih1 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ih1 n GLY 134 N 0.11 -1.28 2.76 7.41 0.00 -0.33 -4.99 105.19 108.87 3ih1 n GLY 134 Ca 0.08 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 3ih1 n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ih1 n LYS 135 N -3.32 1.59 -3.05 1.61 5.02 -1.26 -5.09 118.16 113.66 3ih1 n LYS 135 Ca 0.08 -3.45 -0.28 0.00 -2.02 0.00 0.00 58.31 52.65 3ih1 n LYS 135 Cb 0.53 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3ih1 n LYS 135 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3ih1 s LYS 136 N -3.57 3.61 0.31 1.97 2.47 -1.26 -4.85 119.74 118.42 3ih1 s LYS 136 Ca 0.28 0.08 0.08 0.00 -1.56 0.00 0.00 55.97 54.85 3ih1 s LYS 136 Cb 0.37 -2.52 -0.04 0.00 -1.46 0.00 0.00 37.83 34.18 3ih1 s LYS 136 CO -0.01 0.03 0.19 -0.51 0.16 0.00 0.00 175.35 175.21 3ih1 s LEU 137 N -4.10 3.47 0.70 5.43 1.43 -1.26 -2.37 118.68 121.98 3ih1 s LEU 137 Ca 0.46 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3ih1 s LEU 137 Cb -0.10 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3ih1 s LEU 137 CO 0.36 -0.23 1.06 0.68 0.23 0.00 0.00 176.35 178.45 3ih1 s VAL 138 N -2.32 3.98 0.70 -1.59 -7.23 0.64 -4.70 120.40 109.89 3ih1 s VAL 138 Ca 0.37 0.64 -0.17 0.00 -1.81 0.00 0.00 61.98 61.02 3ih1 s VAL 138 Cb -0.05 -3.46 0.02 0.00 0.56 0.00 0.00 36.38 33.45 3ih1 s VAL 138 CO 0.24 -0.84 1.26 1.07 -0.31 0.00 0.00 175.10 176.52 3ih1 n THR 139 N -3.09 4.05 -0.08 5.32 5.66 -1.26 -4.91 114.28 119.97 3ih1 n THR 139 Ca 0.07 -0.41 -0.07 0.00 -3.05 0.00 0.00 64.05 60.59 3ih1 n THR 139 Cb 0.54 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.93 3ih1 n THR 139 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3ih1 h THR 140 N 0.08 0.83 -0.76 1.09 2.02 -1.98 -2.51 112.91 111.69 3ih1 h THR 140 Ca -0.49 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3ih1 h THR 140 Cb 1.33 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 3ih1 h THR 140 CO 0.51 0.03 0.50 -0.08 0.37 0.00 0.00 175.52 176.84 3ih1 h GLU 141 N 0.15 0.92 -0.68 6.66 4.81 -1.99 -1.95 114.58 122.51 3ih1 h GLU 141 Ca 0.14 -0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 3ih1 h GLU 141 Cb 0.16 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.24 3ih1 h GLU 141 CO -0.20 0.61 0.18 1.49 -0.73 0.00 0.00 179.01 180.36 3ih1 h GLU 142 N 0.95 0.30 -0.03 1.92 4.81 -1.81 0.39 114.58 121.11 3ih1 h GLU 142 Ca 0.30 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.33 3ih1 h GLU 142 Cb 0.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3ih1 h GLU 142 CO -0.08 0.20 -0.78 1.25 -0.73 0.00 0.00 179.01 178.87 3ih1 h LEU 143 N 0.31 0.31 -0.94 1.64 5.85 -1.40 -2.73 115.31 118.34 3ih1 h LEU 143 Ca 0.37 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ih1 h LEU 143 Cb 0.57 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3ih1 h LEU 143 CO -0.43 0.97 0.62 0.58 -0.34 0.00 0.00 178.44 179.84 3ih1 h VAL 144 N 0.16 1.21 -0.66 1.05 2.07 -0.47 -0.73 116.25 118.88 3ih1 h VAL 144 Ca -0.03 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 3ih1 h VAL 144 Cb 1.36 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3ih1 h VAL 144 CO 0.12 0.23 0.17 1.56 0.02 0.00 0.00 177.57 179.66 3ih1 h GLN 145 N 1.24 1.05 -0.41 1.57 4.20 -0.20 -1.17 115.11 121.39 3ih1 h GLN 145 Ca 0.36 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 3ih1 h GLN 145 Cb -0.09 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3ih1 h GLN 145 CO -0.09 0.94 0.02 0.87 -0.67 0.00 0.00 178.83 179.89 3ih1 h LYS 146 N 0.97 0.71 -0.76 1.46 1.57 -1.14 -1.23 116.57 118.15 3ih1 h LYS 146 Ca 0.21 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3ih1 h LYS 146 Cb 0.36 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3ih1 h LYS 146 CO 0.00 0.78 0.27 0.82 -0.57 0.00 0.00 179.45 180.75 3ih1 h ILE 147 N 0.55 1.26 -0.64 1.86 2.04 -1.01 -1.52 117.51 120.05 3ih1 h ILE 147 Ca 0.12 -0.87 0.12 0.00 1.00 0.00 0.00 64.86 65.23 3ih1 h ILE 147 Cb 0.45 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 3ih1 h ILE 147 CO 0.02 0.35 0.20 0.11 0.00 0.00 0.00 178.15 178.82 3ih1 h LYS 148 N 1.11 0.34 0.18 2.37 1.79 -1.06 -1.27 116.57 120.03 3ih1 h LYS 148 Ca 0.25 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 3ih1 h LYS 148 Cb 0.27 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 3ih1 h LYS 148 CO -0.01 0.22 -0.27 0.00 -1.08 0.00 0.00 179.45 178.31 3ih1 h ALA 149 N 1.48 -0.49 -0.95 3.86 0.00 -0.23 -1.95 119.26 120.97 3ih1 h ALA 149 Ca 0.34 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3ih1 h ALA 149 Cb 0.48 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3ih1 h ALA 149 CO -0.38 -0.82 0.62 0.82 0.00 0.00 0.00 179.25 179.49 3ih1 h ILE 150 N -0.51 1.10 -0.99 0.00 2.04 -1.06 -0.07 117.51 118.02 3ih1 h ILE 150 Ca 0.01 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3ih1 h ILE 150 Cb 0.51 -0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 3ih1 h ILE 150 CO -0.11 0.21 0.66 0.11 0.00 0.00 0.00 178.15 179.01 3ih1 h LYS 151 N 1.13 1.30 0.13 2.37 1.79 -0.87 0.10 116.57 122.52 3ih1 h LYS 151 Ca 0.40 -0.08 -0.28 0.00 -2.18 0.00 0.00 60.65 58.51 3ih1 h LYS 151 Cb 0.13 -0.29 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 3ih1 h LYS 151 CO -0.14 0.86 -1.30 1.49 -1.08 0.00 0.00 179.45 179.27 3ih1 h GLU 152 N 1.34 0.27 0.04 3.15 4.57 -0.48 -3.22 114.58 120.25 3ih1 h GLU 152 Ca 0.36 -0.47 -0.34 0.00 -1.18 0.00 0.00 59.36 57.73 3ih1 h GLU 152 Cb -0.15 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 3ih1 h GLU 152 CO -0.08 1.21 -2.02 0.28 -1.18 0.00 0.00 179.01 177.21 3ih1 n VAL 153 N -3.52 1.60 -3.24 0.32 0.31 -0.15 -4.68 118.33 108.97 3ih1 n VAL 153 Ca -0.10 -0.74 -0.24 0.00 -0.01 0.00 0.00 64.34 63.25 3ih1 n VAL 153 Cb 1.03 -1.19 -0.07 0.00 -0.91 0.00 0.00 33.84 32.70 3ih1 n VAL 153 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ih1 n ALA 154 N -2.82 2.84 0.10 3.52 0.00 0.35 -4.90 120.51 119.60 3ih1 n ALA 154 Ca -0.28 -3.75 0.16 0.00 0.00 0.00 0.00 53.44 49.57 3ih1 n ALA 154 Cb 1.06 -0.84 0.68 0.00 0.00 0.00 0.00 19.45 20.36 3ih1 n ALA 154 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ih1 h PRO 155 N 3.96 0.00 -0.04 0.00 0.11 -1.64 -2.17 132.00 132.22 3ih1 h PRO 155 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3ih1 h PRO 155 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ih1 h PRO 155 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 3ih1 n SER 156 N -4.39 0.96 -4.61 -2.05 3.41 -1.26 -4.82 113.62 100.86 3ih1 n SER 156 Ca 0.05 -1.40 -0.38 0.00 -0.26 0.00 0.00 58.87 56.88 3ih1 n SER 156 Cb 0.41 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.24 3ih1 n SER 156 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ih1 s LEU 157 N -1.86 4.04 0.28 1.04 0.20 -0.82 -4.77 118.68 116.80 3ih1 s LEU 157 Ca 0.38 0.13 -0.29 0.00 0.69 0.00 0.00 54.13 55.04 3ih1 s LEU 157 Cb 0.20 -2.24 -0.10 0.00 -0.43 0.00 0.00 46.19 43.62 3ih1 s LEU 157 CO 0.31 -0.08 1.40 -0.47 -0.29 0.00 0.00 176.35 177.23 3ih1 s TYR 158 N 1.74 3.00 -0.24 5.38 5.04 -0.81 -4.88 117.35 126.58 3ih1 s TYR 158 Ca 0.10 1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 55.85 3ih1 s TYR 158 Cb -0.16 -3.79 0.01 0.00 0.35 0.00 0.00 41.96 38.37 3ih1 s TYR 158 CO 0.10 -2.46 -0.04 0.42 -1.34 0.00 0.00 175.55 172.23 3ih1 s ILE 159 N -0.40 3.12 -0.12 3.14 -1.09 -1.26 -0.37 121.20 124.22 3ih1 s ILE 159 Ca 0.56 -0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 58.12 3ih1 s ILE 159 Cb -0.42 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 3ih1 s ILE 159 CO 0.47 0.26 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.74 3ih1 s VAL 160 N 1.39 4.14 -0.21 2.92 1.01 0.76 -0.38 120.40 130.03 3ih1 s VAL 160 Ca 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 3ih1 s VAL 160 Cb -0.16 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3ih1 s VAL 160 CO -0.04 0.55 -0.13 0.00 0.00 0.00 0.00 175.10 175.48 3ih1 s ALA 161 N -0.34 2.52 -0.23 5.51 0.00 -0.73 -1.02 121.76 127.46 3ih1 s ALA 161 Ca 0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 3ih1 s ALA 161 Cb -0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3ih1 s ALA 161 CO 0.02 -0.49 0.28 0.50 0.00 0.00 0.00 175.76 176.07 3ih1 s ARG 162 N 1.33 4.09 -0.14 0.00 3.52 0.66 -0.71 118.95 127.71 3ih1 s ARG 162 Ca 0.04 -0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 55.52 3ih1 s ARG 162 Cb -0.14 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3ih1 s ARG 162 CO -0.09 -0.04 0.07 0.95 -0.81 0.00 0.00 175.30 175.39 3ih1 s THR 163 N 1.34 4.91 -0.40 4.11 -4.23 -0.50 -2.03 115.64 118.84 3ih1 s THR 163 Ca 0.13 -0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 3ih1 s THR 163 Cb -0.14 -3.16 0.59 0.00 1.34 0.00 0.00 72.50 71.13 3ih1 s THR 163 CO 0.07 0.55 1.74 0.47 -0.54 0.00 0.00 174.62 176.91 3ih1 n ASP 164 N 2.70 3.47 0.04 3.99 8.00 -1.26 -1.56 116.55 131.93 3ih1 n ASP 164 Ca -0.18 -3.69 -0.12 0.00 0.71 0.00 0.00 54.79 51.51 3ih1 n ASP 164 Cb 0.53 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3ih1 n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih1 h ALA 165 N 1.07 0.52 -0.80 2.24 0.00 -1.90 -3.21 119.26 117.18 3ih1 h ALA 165 Ca 0.48 -0.62 0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ih1 h ALA 165 Cb 2.29 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.98 3ih1 h ALA 165 CO 0.86 0.75 0.52 -0.09 0.00 0.00 0.00 179.25 181.29 3ih1 h ARG 166 N 0.33 0.69 0.05 0.00 9.65 -1.79 0.12 114.38 123.42 3ih1 h ARG 166 Ca -0.04 -0.04 -0.28 0.00 -1.10 0.00 0.00 59.98 58.52 3ih1 h ARG 166 Cb 1.35 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 3ih1 h ARG 166 CO 0.14 0.46 -1.50 0.78 2.80 0.00 0.00 179.97 182.64 3ih1 h GLY 167 N 0.71 0.12 0.00 2.80 0.00 -1.81 -3.33 103.07 101.57 3ih1 h GLY 167 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ih1 h GLY 167 CO -0.15 0.27 -1.44 1.55 0.00 0.00 0.00 176.54 176.78 3ih1 n VAL 168 N -3.29 0.00 0.03 4.60 3.14 -1.11 -4.87 118.33 116.84 3ih1 n VAL 168 Ca -0.14 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 3ih1 n VAL 168 Cb 1.02 0.32 0.00 0.00 -1.06 0.00 0.00 33.84 34.13 3ih1 n VAL 168 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3ih1 n GLU 169 N -1.85 0.00 0.00 1.45 1.02 0.27 -5.08 120.64 116.45 3ih1 n GLU 169 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3ih1 n GLU 169 Cb 0.31 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 3ih1 n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ih1 n GLY 170 N 3.04 2.39 0.26 0.62 0.00 -0.33 -4.89 105.19 106.28 3ih1 n GLY 170 Ca 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 3ih1 n GLY 170 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ih1 h LEU 171 N 0.00 0.60 -0.30 0.99 5.85 -1.83 -2.75 115.31 117.87 3ih1 h LEU 171 Ca 0.00 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 3ih1 h LEU 171 Cb 0.00 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3ih1 h LEU 171 CO 0.00 0.76 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.97 3ih1 h ASP 172 N 0.56 0.62 0.33 1.25 3.58 -1.95 -2.88 116.42 117.94 3ih1 h ASP 172 Ca 0.10 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.10 3ih1 h ASP 172 Cb 0.56 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 3ih1 h ASP 172 CO 0.04 0.88 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.94 3ih1 h GLU 173 N 0.37 0.00 -0.61 0.28 4.81 -1.88 -2.13 114.58 115.42 3ih1 h GLU 173 Ca 0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3ih1 h GLU 173 Cb 0.63 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3ih1 h GLU 173 CO 0.04 0.26 0.34 0.00 -0.73 0.00 0.00 179.01 178.91 3ih1 h ALA 174 N 1.74 0.78 -0.39 2.92 0.00 -1.29 0.11 119.26 123.14 3ih1 h ALA 174 Ca -0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3ih1 h ALA 174 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ih1 h ALA 174 CO 0.03 0.30 -0.36 0.82 0.00 0.00 0.00 179.25 180.04 3ih1 h ILE 175 N 0.83 1.27 0.33 0.00 2.04 -1.26 0.59 117.51 121.32 3ih1 h ILE 175 Ca 0.22 -1.53 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 3ih1 h ILE 175 Cb 0.04 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3ih1 h ILE 175 CO -0.03 0.51 -0.16 -0.33 0.00 0.00 0.00 178.15 178.14 3ih1 h GLU 176 N 0.77 -0.43 0.16 2.37 4.39 -1.29 -2.02 114.58 118.52 3ih1 h GLU 176 Ca 0.07 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.81 3ih1 h GLU 176 Cb 0.95 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 3ih1 h GLU 176 CO 0.09 -0.13 -0.38 0.00 -1.16 0.00 0.00 179.01 177.42 3ih1 h ARG 177 N -0.72 -0.62 -0.62 2.33 3.08 -0.79 -2.19 114.38 114.84 3ih1 h ARG 177 Ca -0.05 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.16 3ih1 h ARG 177 Cb 0.49 0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.56 3ih1 h ARG 177 CO 0.07 -0.41 -0.31 0.00 -1.07 0.00 0.00 179.97 178.26 3ih1 h ALA 178 N -0.11 0.06 -0.99 0.04 0.00 -0.90 -0.69 119.26 116.65 3ih1 h ALA 178 Ca 0.02 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3ih1 h ALA 178 Cb 0.65 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3ih1 h ALA 178 CO -0.20 -0.63 0.65 -0.91 0.00 0.00 0.00 179.25 178.16 3ih1 h ASN 179 N -0.13 1.06 -0.39 0.00 2.35 -1.15 0.54 115.58 117.86 3ih1 h ASN 179 Ca 0.26 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 3ih1 h ASN 179 Cb 0.55 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3ih1 h ASN 179 CO -0.70 0.71 -0.18 0.00 -1.65 0.00 0.00 177.43 175.61 3ih1 h ALA 180 N 1.42 0.83 -0.69 -0.83 0.00 -0.67 -0.97 119.26 118.36 3ih1 h ALA 180 Ca 0.41 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ih1 h ALA 180 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3ih1 h ALA 180 CO -0.14 0.65 0.30 1.88 0.00 0.00 0.00 179.25 181.93 3ih1 h TYR 181 N 0.77 1.02 0.26 0.00 0.05 -0.42 0.11 116.97 118.77 3ih1 h TYR 181 Ca 0.11 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3ih1 h TYR 181 Cb 0.71 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3ih1 h TYR 181 CO 0.04 0.78 -0.24 0.28 -1.05 0.00 0.00 178.16 177.97 3ih1 h VAL 182 N 0.97 0.48 0.00 -2.88 2.07 -0.57 -0.17 116.25 116.15 3ih1 h VAL 182 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3ih1 h VAL 182 Cb 0.17 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3ih1 h VAL 182 CO -0.02 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.02 3ih1 h LYS 183 N -0.53 0.00 0.00 1.57 1.63 -1.02 -1.87 116.57 116.35 3ih1 h LYS 183 Ca -0.01 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.72 3ih1 h LYS 183 Cb 0.49 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3ih1 h LYS 183 CO -0.04 0.04 -0.34 0.00 -3.45 0.00 0.00 179.45 175.66 3ih1 h ALA 184 N 1.96 0.91 0.00 5.00 0.00 -0.48 -3.47 119.26 123.18 3ih1 h ALA 184 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ih1 h ALA 184 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ih1 h ALA 184 CO 0.01 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3ih1 n GLY 185 N 0.52 0.06 3.77 0.00 0.00 -0.71 -4.17 105.19 104.65 3ih1 n GLY 185 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3ih1 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih1 s ALA 186 N 0.00 3.62 -0.13 4.61 0.00 -0.14 -4.76 121.76 124.96 3ih1 s ALA 186 Ca 0.00 1.52 0.19 0.00 0.00 0.00 0.00 51.96 53.67 3ih1 s ALA 186 Cb 0.00 -3.60 -0.18 0.00 0.00 0.00 0.00 23.12 19.34 3ih1 s ALA 186 CO 0.00 -0.96 0.65 -0.25 0.00 0.00 0.00 175.76 175.20 3ih1 n ASP 187 N 1.16 0.54 -3.66 0.00 8.00 0.49 -4.51 116.55 118.56 3ih1 n ASP 187 Ca 0.03 0.23 -0.11 0.00 0.71 0.00 0.00 54.79 55.65 3ih1 n ASP 187 Cb 0.39 0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 42.15 3ih1 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih1 s ALA 188 N -3.03 -0.92 0.04 2.24 0.00 -0.93 -4.34 121.76 114.82 3ih1 s ALA 188 Ca -0.05 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.04 3ih1 s ALA 188 Cb 0.09 0.55 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 3ih1 s ALA 188 CO 0.83 -0.57 -0.22 0.96 0.00 0.00 0.00 175.76 176.77 3ih1 s ILE 189 N -3.32 1.75 -0.44 0.00 -5.25 -0.70 -1.78 121.20 111.46 3ih1 s ILE 189 Ca 0.00 -1.22 -0.05 0.00 -0.99 0.00 0.00 60.65 58.40 3ih1 s ILE 189 Cb 0.01 -1.51 0.12 0.00 2.95 0.00 0.00 42.46 44.03 3ih1 s ILE 189 CO -0.08 0.25 0.26 0.12 -1.79 0.00 0.00 174.94 173.70 3ih1 s PHE 190 N -0.78 3.54 -0.72 1.37 2.19 0.11 -2.28 117.98 121.40 3ih1 s PHE 190 Ca 0.08 -2.31 -0.22 0.00 0.33 0.00 0.00 56.93 54.82 3ih1 s PHE 190 Cb -0.09 -3.30 0.08 0.00 -1.31 0.00 0.00 43.02 38.40 3ih1 s PHE 190 CO 0.02 -0.97 1.03 -1.25 1.83 0.00 0.00 175.22 175.88 3ih1 s PRO 191 N 1.09 3.22 0.19 10.12 0.05 -1.26 -1.41 135.00 146.99 3ih1 s PRO 191 Ca 0.08 -0.97 -0.32 0.00 0.05 0.00 0.00 61.00 59.85 3ih1 s PRO 191 Cb -0.23 -4.39 -0.12 0.00 0.05 0.00 0.00 34.50 29.81 3ih1 s PRO 191 CO -0.03 -1.85 1.75 -2.00 0.05 0.00 0.00 177.00 174.92 3ih1 s GLU 192 N 3.97 4.12 -1.31 4.56 2.56 -0.60 -3.80 118.70 128.20 3ih1 s GLU 192 Ca 0.26 2.62 -0.05 0.00 0.00 0.00 0.00 54.97 57.79 3ih1 s GLU 192 Cb -0.14 -3.19 0.01 0.00 2.00 0.00 0.00 34.13 32.82 3ih1 s GLU 192 CO 0.06 -0.78 1.06 0.00 -0.56 0.00 0.00 175.26 175.05 3ih1 n ALA 193 N 4.37 -1.63 -1.73 6.30 0.00 -1.26 -4.51 120.51 122.04 3ih1 n ALA 193 Ca 0.16 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 3ih1 n ALA 193 Cb 0.36 -4.01 0.06 0.00 0.00 0.00 0.00 19.45 15.86 3ih1 n ALA 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ih1 s LEU 194 N -6.91 3.59 -0.05 0.00 1.43 -1.25 -4.75 118.68 110.75 3ih1 s LEU 194 Ca 0.33 2.62 0.14 0.00 -1.03 0.00 0.00 54.13 56.18 3ih1 s LEU 194 Cb -0.15 -4.60 -0.23 0.00 0.03 0.00 0.00 46.19 41.24 3ih1 s LEU 194 CO 0.74 -1.96 0.61 1.67 0.23 0.00 0.00 176.35 177.64 3ih1 n GLN 195 N -1.84 0.64 -3.92 1.70 7.27 -1.26 -4.99 117.38 114.98 3ih1 n GLN 195 Ca 0.15 0.26 -0.09 0.00 0.07 0.00 0.00 57.00 57.39 3ih1 n GLN 195 Cb 0.48 -1.76 -0.02 0.00 2.41 0.00 0.00 30.24 31.34 3ih1 n GLN 195 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3ih1 s SER 196 N -5.99 -0.03 0.33 1.69 1.04 -1.26 -5.00 113.70 104.49 3ih1 s SER 196 Ca -0.05 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.48 3ih1 s SER 196 Cb 0.08 0.70 0.61 0.00 0.10 0.00 0.00 66.02 67.51 3ih1 s SER 196 CO 0.82 -1.35 1.96 -0.08 0.98 0.00 0.00 173.24 175.58 3ih1 h GLU 197 N 2.09 0.89 -0.65 4.02 4.81 -1.99 -0.46 114.58 123.29 3ih1 h GLU 197 Ca -0.25 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.00 3ih1 h GLU 197 Cb 1.25 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.37 3ih1 h GLU 197 CO 0.32 0.59 0.34 1.49 -0.73 0.00 0.00 179.01 181.02 3ih1 h GLU 198 N 0.92 0.59 -0.09 1.92 4.22 -2.00 -0.63 114.58 119.51 3ih1 h GLU 198 Ca 0.31 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.60 3ih1 h GLU 198 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ih1 h GLU 198 CO -0.09 0.39 -0.43 0.93 -2.18 0.00 0.00 179.01 177.63 3ih1 h GLU 199 N 0.61 0.21 0.69 1.92 5.08 -1.54 -1.97 114.58 119.58 3ih1 h GLU 199 Ca 0.30 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3ih1 h GLU 199 Cb 0.25 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ih1 h GLU 199 CO -0.21 0.60 -0.33 0.74 -1.00 0.00 0.00 179.01 178.81 3ih1 h PHE 200 N 0.17 -0.86 -0.24 4.33 0.04 -0.08 -0.81 116.94 119.50 3ih1 h PHE 200 Ca 0.01 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3ih1 h PHE 200 Cb 0.83 0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 3ih1 h PHE 200 CO 0.01 -0.52 0.05 0.00 -0.60 0.00 0.00 178.31 177.25 3ih1 h ARG 201 N -0.95 0.14 -0.35 1.51 3.08 -1.12 0.33 114.38 117.03 3ih1 h ARG 201 Ca -0.09 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3ih1 h ARG 201 Cb 0.72 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3ih1 h ARG 201 CO 0.16 0.09 0.21 1.25 -1.07 0.00 0.00 179.97 180.61 3ih1 h LEU 202 N 0.14 0.35 -0.01 3.04 5.85 -1.36 0.36 115.31 123.68 3ih1 h LEU 202 Ca 0.11 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ih1 h LEU 202 Cb 0.10 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3ih1 h LEU 202 CO -0.14 0.25 0.00 0.15 -0.34 0.00 0.00 178.44 178.37 3ih1 h PHE 203 N 0.43 0.01 -1.00 1.25 3.57 -0.70 0.14 116.94 120.64 3ih1 h PHE 203 Ca 0.13 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.79 3ih1 h PHE 203 Cb -0.02 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.62 3ih1 h PHE 203 CO -0.07 0.14 0.62 -0.97 -2.23 0.00 0.00 178.31 175.80 3ih1 h ASN 204 N -0.12 0.86 0.56 0.41 -0.00 -0.01 0.38 115.58 117.66 3ih1 h ASN 204 Ca 0.00 0.07 -0.14 0.00 -0.00 0.00 0.00 56.30 56.23 3ih1 h ASN 204 Cb 0.13 -0.09 -0.02 0.00 -0.00 0.00 0.00 38.32 38.34 3ih1 h ASN 204 CO -0.00 0.38 -0.66 0.77 -0.00 0.00 0.00 177.43 177.92 3ih1 h SER 205 N 0.88 0.10 0.20 1.15 4.64 0.42 -3.19 113.55 117.75 3ih1 h SER 205 Ca 0.54 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3ih1 h SER 205 Cb 0.70 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3ih1 h SER 205 CO -0.32 0.73 -0.57 0.29 -0.87 0.00 0.00 176.83 176.09 3ih1 n LYS 206 N -3.79 0.45 -4.56 4.77 4.01 0.43 -4.90 118.16 114.57 3ih1 n LYS 206 Ca -0.02 -0.32 -0.33 0.00 -0.51 0.00 0.00 58.31 57.13 3ih1 n LYS 206 Cb 0.65 -1.49 -0.15 0.00 -0.51 0.00 0.00 35.03 33.53 3ih1 n LYS 206 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3ih1 s VAL 207 N -2.77 2.81 -0.05 -0.18 1.01 0.11 -4.96 120.40 116.37 3ih1 s VAL 207 Ca 0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 3ih1 s VAL 207 Cb 0.18 -2.19 -0.13 0.00 0.00 0.00 0.00 36.38 34.24 3ih1 s VAL 207 CO 0.67 0.51 2.91 -3.20 0.00 0.00 0.00 175.10 176.00 3ih1 n ASN 208 N 3.95 5.43 -3.62 3.32 5.15 -1.26 -4.84 115.26 123.39 3ih1 n ASN 208 Ca -0.19 -2.54 -0.02 0.00 -0.60 0.00 0.00 54.58 51.24 3ih1 n ASN 208 Cb 0.52 -1.29 -0.01 0.00 -0.53 0.00 0.00 39.78 38.47 3ih1 n ASN 208 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ih1 s ALA 209 N 0.31 -2.07 0.44 5.20 0.00 -1.26 -5.06 121.76 119.32 3ih1 s ALA 209 Ca 0.41 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 3ih1 s ALA 209 Cb 0.21 0.28 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 3ih1 s ALA 209 CO -0.02 -0.90 1.44 -2.30 0.00 0.00 0.00 175.76 173.98 3ih1 n PRO 210 N -0.36 2.30 -5.08 0.00 -0.02 -1.26 -4.86 135.00 125.72 3ih1 n PRO 210 Ca -0.06 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 3ih1 n PRO 210 Cb 0.61 -2.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 3ih1 n PRO 210 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ih1 s LEU 211 N -2.59 2.15 -0.11 2.45 1.43 -1.26 -1.73 118.68 119.02 3ih1 s LEU 211 Ca 0.60 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3ih1 s LEU 211 Cb -0.45 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3ih1 s LEU 211 CO 0.58 0.29 -0.03 -0.22 0.23 0.00 0.00 176.35 177.20 3ih1 s LEU 212 N -0.95 3.37 -0.17 1.79 2.96 -0.96 -1.74 118.68 122.97 3ih1 s LEU 212 Ca 0.11 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.96 3ih1 s LEU 212 Cb -0.10 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3ih1 s LEU 212 CO 0.01 0.29 0.01 0.00 -1.32 0.00 0.00 176.35 175.34 3ih1 s ALA 213 N -0.34 3.18 0.78 5.97 0.00 -1.26 -4.30 121.76 125.80 3ih1 s ALA 213 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3ih1 s ALA 213 Cb -0.12 -1.75 0.15 0.00 0.00 0.00 0.00 23.12 21.40 3ih1 s ALA 213 CO 0.02 0.14 1.07 1.21 0.00 0.00 0.00 175.76 178.20 3ih1 s ASN 214 N 0.47 4.03 0.00 0.00 2.47 -1.26 -0.58 114.94 120.06 3ih1 s ASN 214 Ca -0.00 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 52.91 3ih1 s ASN 214 Cb -0.13 0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.77 3ih1 s ASN 214 CO 0.02 -2.09 0.00 1.07 -3.72 0.00 0.00 177.10 172.38 3ih1 n THR 216 N -3.02 0.00 -2.35 -5.21 5.66 -1.26 -4.90 114.28 103.19 3ih1 n THR 216 Ca 0.16 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.84 3ih1 n THR 216 Cb 0.61 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 3ih1 n THR 216 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3ih1 s GLU 217 N -3.89 3.92 -1.67 1.09 8.01 -1.26 -4.08 118.70 120.81 3ih1 s GLU 217 Ca 0.00 0.94 0.00 0.00 0.01 0.00 0.00 54.97 55.92 3ih1 s GLU 217 Cb 0.00 -2.13 0.00 0.00 -4.31 0.00 0.00 34.13 27.69 3ih1 s GLU 217 CO 0.00 -0.30 0.00 1.19 0.01 0.00 0.00 175.26 176.16 3ih1 n PHE 218 N -1.67 -0.98 -2.80 1.61 3.72 -1.26 -4.94 117.46 111.13 3ih1 n PHE 218 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 3ih1 n PHE 218 Cb 0.54 -3.67 0.00 0.00 -0.94 0.00 0.00 39.48 35.41 3ih1 n PHE 218 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ih1 n GLY 219 N -0.90 6.27 0.12 1.37 0.00 -1.26 -5.00 105.19 105.79 3ih1 n GLY 219 Ca -0.22 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.80 3ih1 n GLY 219 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ih1 n LYS 220 N -0.01 1.16 -4.32 1.61 4.76 -1.26 -4.78 118.16 115.31 3ih1 n LYS 220 Ca 0.00 -0.24 -0.29 0.00 -2.87 0.00 0.00 58.31 54.91 3ih1 n LYS 220 Cb 0.00 -1.14 -0.17 0.00 -1.84 0.00 0.00 35.03 31.88 3ih1 n LYS 220 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3ih1 s THR 221 N -1.92 1.54 0.98 -0.18 2.01 -1.26 -4.99 115.64 111.81 3ih1 s THR 221 Ca 0.13 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 3ih1 s THR 221 Cb 0.06 -1.41 0.18 0.00 0.01 0.00 0.00 72.50 71.34 3ih1 s THR 221 CO 0.10 0.45 1.12 -2.84 -0.69 0.00 0.00 174.62 172.75 3ih1 s PRO 222 N 1.15 0.48 -1.41 4.92 0.02 -1.26 -4.87 135.00 134.02 3ih1 s PRO 222 Ca -0.03 1.38 -0.07 0.00 0.02 0.00 0.00 61.00 62.30 3ih1 s PRO 222 Cb -0.14 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.76 3ih1 s PRO 222 CO -0.04 -2.95 2.55 0.66 -0.33 0.00 0.00 177.00 176.88 3ih1 n TYR 223 N -4.44 2.55 -2.01 6.54 4.02 -1.26 -4.96 117.16 117.61 3ih1 n TYR 223 Ca 0.10 -2.90 -0.39 0.00 -0.01 0.00 0.00 57.90 54.69 3ih1 n TYR 223 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 39.34 37.82 3ih1 n TYR 223 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3ih1 s TYR 224 N -0.21 2.74 0.74 -0.72 1.51 -1.26 -5.02 117.35 115.13 3ih1 s TYR 224 Ca 0.58 1.39 -0.11 0.00 -1.01 0.00 0.00 57.07 57.92 3ih1 s TYR 224 Cb 0.18 -3.70 0.04 0.00 -0.11 0.00 0.00 41.96 38.37 3ih1 s TYR 224 CO -0.09 -2.24 1.08 -1.54 -1.11 0.00 0.00 175.55 171.66 3ih1 s SER 225 N -0.74 4.99 0.25 2.29 1.04 -1.26 -4.89 113.70 115.38 3ih1 s SER 225 Ca 0.58 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 58.39 3ih1 s SER 225 Cb -0.39 -2.23 0.36 0.00 0.10 0.00 0.00 66.02 63.86 3ih1 s SER 225 CO 0.49 -1.67 1.85 0.00 0.98 0.00 0.00 173.24 174.89 3ih1 h ALA 226 N -0.88 1.22 -0.13 5.32 0.00 -2.00 -1.92 119.26 120.87 3ih1 h ALA 226 Ca -0.45 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3ih1 h ALA 226 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ih1 h ALA 226 CO 0.59 0.27 -0.27 1.49 0.00 0.00 0.00 179.25 181.33 3ih1 h GLU 227 N 0.97 0.24 -0.22 0.00 4.57 -1.98 -1.96 114.58 116.21 3ih1 h GLU 227 Ca 0.39 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 58.32 3ih1 h GLU 227 Cb 0.21 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3ih1 h GLU 227 CO -0.19 0.50 -0.51 0.93 -1.18 0.00 0.00 179.01 178.56 3ih1 h GLU 228 N 0.22 0.73 -0.73 1.92 5.08 -1.74 -2.23 114.58 117.82 3ih1 h GLU 228 Ca 0.03 -0.49 0.08 0.00 -1.00 0.00 0.00 59.36 57.98 3ih1 h GLU 228 Cb 0.59 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 3ih1 h GLU 228 CO 0.04 1.12 0.48 0.74 -1.00 0.00 0.00 179.01 180.39 3ih1 h PHE 229 N 0.45 0.72 -0.28 4.33 0.05 -1.06 -2.29 116.94 118.86 3ih1 h PHE 229 Ca -0.00 0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.75 3ih1 h PHE 229 Cb 1.12 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.83 3ih1 h PHE 229 CO 0.09 0.36 -0.05 0.00 -0.18 0.00 0.00 178.31 178.53 3ih1 h ALA 230 N 1.62 0.39 0.00 2.45 0.00 -1.14 0.31 119.26 122.89 3ih1 h ALA 230 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ih1 h ALA 230 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ih1 h ALA 230 CO -0.11 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3ih1 n ASN 231 N -4.53 1.55 -0.00 0.00 4.13 -0.86 -4.00 115.26 111.55 3ih1 n ASN 231 Ca -0.03 -1.24 0.03 0.00 1.68 0.00 0.00 54.58 55.02 3ih1 n ASN 231 Cb 0.29 -0.31 -0.04 0.00 -1.54 0.00 0.00 39.78 38.18 3ih1 n ASN 231 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ih1 n GLY 233 N 1.55 0.10 3.82 7.41 0.00 -1.02 -5.09 105.19 111.95 3ih1 n GLY 233 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3ih1 n GLY 233 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ih1 s PHE 234 N -1.97 3.50 -0.27 1.61 0.08 0.07 -4.63 117.98 116.36 3ih1 s PHE 234 Ca -0.00 1.48 0.16 0.00 0.12 0.00 0.00 56.93 58.69 3ih1 s PHE 234 Cb 0.04 -2.72 0.46 0.00 -0.57 0.00 0.00 43.02 40.23 3ih1 s PHE 234 CO 0.23 0.14 1.36 1.04 -0.10 0.00 0.00 175.22 177.89 3ih1 n GLN 235 N 0.07 2.76 -3.64 0.44 6.02 -0.71 -4.11 117.38 118.20 3ih1 n GLN 235 Ca 0.02 -2.68 -0.04 0.00 -0.01 0.00 0.00 57.00 54.29 3ih1 n GLN 235 Cb 0.52 -1.72 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 3ih1 n GLN 235 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ih1 s VAL 237 N -2.54 0.00 0.22 5.09 0.11 -0.84 -2.45 120.40 119.99 3ih1 s VAL 237 Ca 0.38 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 3ih1 s VAL 237 Cb 0.30 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3ih1 s VAL 237 CO 0.09 0.00 0.40 0.27 -3.33 0.00 0.00 175.10 172.53 3ih1 s ILE 238 N 1.23 5.21 -0.56 7.04 -4.36 0.25 -1.39 121.20 128.61 3ih1 s ILE 238 Ca -0.07 -0.48 0.05 0.00 -0.26 0.00 0.00 60.65 59.88 3ih1 s ILE 238 Cb -0.04 -3.77 0.19 0.00 1.25 0.00 0.00 42.46 40.09 3ih1 s ILE 238 CO -0.14 -0.24 0.48 -1.22 0.24 0.00 0.00 174.94 174.05 3ih1 n TYR 239 N -0.91 1.48 -0.07 1.37 4.01 -0.53 -4.48 117.16 118.03 3ih1 n TYR 239 Ca -0.05 -3.87 -0.14 0.00 -0.16 0.00 0.00 57.90 53.68 3ih1 n TYR 239 Cb 0.55 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 39.24 3ih1 n TYR 239 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3ih1 h PRO 240 N 5.17 0.59 -0.01 -0.72 0.11 -1.92 0.21 132.00 135.44 3ih1 h PRO 240 Ca 0.19 -0.36 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3ih1 h PRO 240 Cb 0.81 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ih1 h PRO 240 CO 0.59 0.96 -0.43 0.28 -0.21 0.00 0.00 178.00 179.19 3ih1 n VAL 241 N -4.30 0.00 -0.22 3.15 0.31 -1.26 -4.30 118.33 111.70 3ih1 n VAL 241 Ca -0.05 -0.29 0.03 0.00 -0.01 0.00 0.00 64.34 64.01 3ih1 n VAL 241 Cb 0.49 1.09 0.13 0.00 -0.91 0.00 0.00 33.84 34.64 3ih1 n VAL 241 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3ih1 h THR 242 N 0.84 0.51 -0.81 2.52 2.02 -1.87 0.31 112.91 116.43 3ih1 h THR 242 Ca 0.00 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.21 3ih1 h THR 242 Cb 0.39 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.04 3ih1 h THR 242 CO 0.00 0.03 0.46 0.77 0.37 0.00 0.00 175.52 177.15 3ih1 h SER 243 N 0.18 0.64 -0.05 4.18 4.64 -1.84 -1.05 113.55 120.27 3ih1 h SER 243 Ca 0.35 0.05 -0.22 0.00 -0.47 0.00 0.00 61.79 61.50 3ih1 h SER 243 Cb 0.58 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3ih1 h SER 243 CO -0.51 0.36 -0.81 0.25 -0.87 0.00 0.00 176.83 175.26 3ih1 h LEU 244 N 0.76 0.85 -0.62 5.97 5.85 -1.35 -1.82 115.31 124.96 3ih1 h LEU 244 Ca 0.39 -0.57 0.08 0.00 0.84 0.00 0.00 57.88 58.62 3ih1 h LEU 244 Cb 0.37 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3ih1 h LEU 244 CO -0.25 1.37 0.28 0.03 -0.34 0.00 0.00 178.44 179.52 3ih1 h ARG 245 N 0.47 0.48 0.00 1.25 2.47 -0.24 -0.33 114.38 118.49 3ih1 h ARG 245 Ca -0.06 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.46 3ih1 h ARG 245 Cb 1.43 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.62 3ih1 h ARG 245 CO 0.16 0.32 -0.80 -0.39 0.56 0.00 0.00 179.97 179.82 3ih1 h VAL 246 N 0.50 1.40 -0.08 2.04 -1.51 -1.25 -3.24 116.25 114.11 3ih1 h VAL 246 Ca 0.30 -2.92 -0.02 0.00 -1.23 0.00 0.00 66.70 62.82 3ih1 h VAL 246 Cb 0.31 2.66 -0.00 0.00 -2.13 0.00 0.00 31.29 32.13 3ih1 h VAL 246 CO -0.26 0.79 -0.04 0.00 -1.23 0.00 0.00 177.57 176.83 3ih1 h ALA 247 N 1.20 0.11 -0.39 5.19 0.00 -0.69 -2.96 119.26 121.71 3ih1 h ALA 247 Ca -0.01 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ih1 h ALA 247 Cb 1.59 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 3ih1 h ALA 247 CO 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 179.25 179.26 3ih1 h ALA 248 N 0.62 0.38 -0.23 0.00 0.00 -1.16 -2.13 119.26 116.74 3ih1 h ALA 248 Ca 0.02 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ih1 h ALA 248 Cb 0.50 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ih1 h ALA 248 CO 0.01 -0.37 -0.23 -0.22 0.00 0.00 0.00 179.25 178.45 3ih1 h LYS 249 N 0.15 0.41 -0.48 0.00 3.11 -1.60 -1.58 116.57 116.58 3ih1 h LYS 249 Ca 0.19 -0.14 -0.10 0.00 -2.81 0.00 0.00 60.65 57.78 3ih1 h LYS 249 Cb 0.25 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 3ih1 h LYS 249 CO -0.29 0.62 -0.11 0.00 -2.81 0.00 0.00 179.45 176.87 3ih1 h ALA 250 N 1.39 0.90 -0.09 5.00 0.00 -1.28 -0.83 119.26 124.35 3ih1 h ALA 250 Ca 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3ih1 h ALA 250 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ih1 h ALA 250 CO 0.04 0.63 -0.03 1.88 0.00 0.00 0.00 179.25 181.78 3ih1 h TYR 251 N 0.79 -0.06 -0.59 0.00 0.05 -0.74 -1.44 116.97 114.98 3ih1 h TYR 251 Ca 0.13 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.99 3ih1 h TYR 251 Cb 0.63 0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.35 3ih1 h TYR 251 CO 0.04 -0.05 0.27 1.49 -1.05 0.00 0.00 178.16 178.86 3ih1 h GLU 252 N -0.01 0.48 -0.13 4.88 4.81 -0.88 0.28 114.58 124.01 3ih1 h GLU 252 Ca 0.05 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3ih1 h GLU 252 Cb 0.08 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3ih1 h GLU 252 CO -0.10 0.32 -0.19 -0.91 -0.73 0.00 0.00 179.01 177.40 3ih1 h ASN 253 N 0.50 0.39 0.05 1.04 2.35 -1.00 -1.59 115.58 117.32 3ih1 h ASN 253 Ca 0.28 -0.52 -0.17 0.00 -0.55 0.00 0.00 56.30 55.34 3ih1 h ASN 253 Cb 0.27 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3ih1 h ASN 253 CO -0.24 0.83 -0.61 1.62 -1.65 0.00 0.00 177.43 177.39 3ih1 h VAL 254 N -0.05 1.33 -0.50 2.81 3.04 -1.01 -1.80 116.25 120.07 3ih1 h VAL 254 Ca 0.01 -1.89 -0.08 0.00 -1.01 0.00 0.00 66.70 63.74 3ih1 h VAL 254 Cb 0.75 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.87 3ih1 h VAL 254 CO 0.04 0.58 0.01 -0.26 -1.01 0.00 0.00 177.57 176.94 3ih1 h PHE 255 N 0.41 0.95 -0.61 3.17 0.04 -0.48 0.03 116.94 120.46 3ih1 h PHE 255 Ca -0.01 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 3ih1 h PHE 255 Cb 1.17 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 3ih1 h PHE 255 CO 0.05 0.89 0.32 1.15 -0.60 0.00 0.00 178.31 180.12 3ih1 h THR 256 N 0.74 1.20 -0.42 -1.55 2.02 -1.26 0.22 112.91 113.86 3ih1 h THR 256 Ca 0.14 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.84 3ih1 h THR 256 Cb 0.50 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3ih1 h THR 256 CO 0.02 0.23 0.12 0.25 0.37 0.00 0.00 175.52 176.51 3ih1 h LEU 257 N 0.83 0.09 -0.29 2.58 5.85 -0.93 0.40 115.31 123.83 3ih1 h LEU 257 Ca 0.21 0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.79 3ih1 h LEU 257 Cb 0.07 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3ih1 h LEU 257 CO -0.03 0.08 -0.66 0.40 -0.34 0.00 0.00 178.44 177.90 3ih1 h ILE 258 N 0.27 1.29 -0.62 4.05 2.04 -0.56 -0.41 117.51 123.57 3ih1 h ILE 258 Ca 0.20 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 3ih1 h ILE 258 Cb 0.21 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3ih1 h ILE 258 CO -0.23 0.60 0.23 0.50 0.00 0.00 0.00 178.15 179.25 3ih1 h LYS 259 N 0.54 0.94 0.00 2.37 1.63 -0.20 -1.74 116.57 120.11 3ih1 h LYS 259 Ca -0.02 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 3ih1 h LYS 259 Cb 1.26 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 3ih1 h LYS 259 CO 0.13 0.81 -1.12 0.39 -3.45 0.00 0.00 179.45 176.21 3ih1 n GLU 260 N -4.42 1.13 -0.05 1.90 1.02 0.10 -4.29 120.64 116.02 3ih1 n GLU 260 Ca 0.04 -0.05 -0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3ih1 n GLU 260 Cb 0.18 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 3ih1 n GLU 260 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ih1 n THR 261 N -1.63 0.62 -0.67 2.62 -1.04 -0.17 -4.98 114.28 109.03 3ih1 n THR 261 Ca 0.01 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 3ih1 n THR 261 Cb 0.33 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 3ih1 n THR 261 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ih1 n GLY 262 N 1.74 0.97 3.41 3.41 0.00 -0.65 -5.01 105.19 109.06 3ih1 n GLY 262 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3ih1 n GLY 262 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ih1 s SER 263 N -3.04 -0.50 -0.03 1.61 0.15 -1.24 -4.99 113.70 105.66 3ih1 s SER 263 Ca 0.00 0.11 0.19 0.00 0.70 0.00 0.00 55.95 56.95 3ih1 s SER 263 Cb 0.00 0.54 0.58 0.00 -1.71 0.00 0.00 66.02 65.44 3ih1 s SER 263 CO 0.00 -0.83 1.49 0.00 1.20 0.00 0.00 173.24 175.10 3ih1 n GLN 264 N 0.04 3.01 -0.27 5.44 0.00 -1.26 -4.00 117.38 120.34 3ih1 n GLN 264 Ca -0.18 -2.59 0.16 0.00 0.00 0.00 0.00 57.00 54.40 3ih1 n GLN 264 Cb 0.62 -1.59 0.45 0.00 0.00 0.00 0.00 30.24 29.72 3ih1 n GLN 264 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3ih1 h LYS 265 N 3.64 0.52 -0.04 2.61 1.57 -1.97 -1.31 116.57 121.59 3ih1 h LYS 265 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ih1 h LYS 265 Cb 1.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3ih1 h LYS 265 CO 0.06 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 179.04 3ih1 n ASP 266 N -4.57 0.52 -0.48 0.86 8.00 -1.26 -2.89 116.55 116.73 3ih1 n ASP 266 Ca 0.20 -1.45 0.05 0.00 0.71 0.00 0.00 54.79 54.29 3ih1 n ASP 266 Cb 0.63 -0.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.79 3ih1 n ASP 266 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ih1 n ALA 267 N -0.47 2.29 -0.27 2.24 0.00 -0.49 -4.73 120.51 119.08 3ih1 n ALA 267 Ca 0.16 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.82 3ih1 n ALA 267 Cb 0.15 -0.35 0.38 0.00 0.00 0.00 0.00 19.45 19.64 3ih1 n ALA 267 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ih1 h LEU 268 N 1.78 0.65 -0.10 0.00 4.07 -1.60 0.16 115.31 120.27 3ih1 h LEU 268 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3ih1 h LEU 268 Cb 0.57 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3ih1 h LEU 268 CO 0.00 0.32 0.00 -1.20 -1.08 0.00 0.00 178.44 176.48 3ih1 n SER 269 N -4.57 0.67 -3.53 -0.43 7.64 -1.26 -4.88 113.62 107.27 3ih1 n SER 269 Ca 0.18 0.58 -0.40 0.00 1.01 0.00 0.00 58.87 60.23 3ih1 n SER 269 Cb 0.48 -0.75 0.01 0.00 -1.01 0.00 0.00 64.21 62.94 3ih1 n SER 269 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3ih1 n ASN 270 N -2.15 7.72 -4.68 6.43 4.13 0.55 -5.14 115.26 122.13 3ih1 n ASN 270 Ca 0.05 -3.40 -0.35 0.00 1.68 0.00 0.00 54.58 52.57 3ih1 n ASN 270 Cb 0.39 -1.27 -0.09 0.00 -1.54 0.00 0.00 39.78 37.26 3ih1 n ASN 270 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3ih1 s GLN 272 N -2.62 3.47 0.72 3.52 0.74 -1.26 -5.09 119.66 119.13 3ih1 s GLN 272 Ca 0.47 -0.36 -0.11 0.00 0.05 0.00 0.00 55.36 55.41 3ih1 s GLN 272 Cb 0.19 -3.01 0.02 0.00 1.10 0.00 0.00 33.01 31.32 3ih1 s GLN 272 CO -0.12 0.52 1.10 0.95 -0.55 0.00 0.00 175.29 177.19 3ih1 s THR 273 N -0.35 3.38 0.42 -0.34 -4.23 -1.26 -4.88 115.64 108.38 3ih1 s THR 273 Ca 0.08 0.45 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 3ih1 s THR 273 Cb -0.12 -3.41 0.27 0.00 1.34 0.00 0.00 72.50 70.57 3ih1 s THR 273 CO 0.02 -0.59 2.07 0.03 -0.54 0.00 0.00 174.62 175.61 3ih1 h ARG 274 N -0.72 0.49 -0.16 3.99 3.08 -2.03 -0.71 114.38 118.31 3ih1 h ARG 274 Ca -0.45 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.36 3ih1 h ARG 274 Cb 1.26 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.20 3ih1 h ARG 274 CO 0.63 0.32 -0.74 1.03 -1.07 0.00 0.00 179.97 180.15 3ih1 h SER 275 N 0.50 0.85 0.60 7.04 0.87 -1.98 0.30 113.55 121.73 3ih1 h SER 275 Ca 0.14 -0.54 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 3ih1 h SER 275 Cb -0.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3ih1 h SER 275 CO -0.03 1.33 -0.81 -0.08 -0.53 0.00 0.00 176.83 176.71 3ih1 h GLU 276 N 0.50 0.15 0.83 2.24 4.22 -1.87 -0.76 114.58 119.89 3ih1 h GLU 276 Ca -0.04 -0.15 -0.04 0.00 0.08 0.00 0.00 59.36 59.21 3ih1 h GLU 276 Cb 1.35 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.65 3ih1 h GLU 276 CO 0.15 0.87 -0.40 1.25 -2.18 0.00 0.00 179.01 178.70 3ih1 h LEU 277 N 0.09 -0.94 -0.85 1.64 5.85 -1.02 0.23 115.31 120.31 3ih1 h LEU 277 Ca -0.03 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.92 3ih1 h LEU 277 Cb 1.40 0.24 -0.15 0.00 0.37 0.00 0.00 40.66 42.53 3ih1 h LEU 277 CO 0.12 -0.62 0.02 0.22 -0.34 0.00 0.00 178.44 177.84 3ih1 h TYR 278 N -1.23 -0.04 0.53 1.25 3.20 -0.36 0.26 116.97 120.58 3ih1 h TYR 278 Ca -0.11 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 3ih1 h TYR 278 Cb 0.86 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 3ih1 h TYR 278 CO -0.00 -0.31 -0.31 0.93 -1.64 0.00 0.00 178.16 176.83 3ih1 h GLU 279 N 0.08 -0.76 -0.92 1.82 4.39 -1.04 -2.75 114.58 115.39 3ih1 h GLU 279 Ca 0.49 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.23 3ih1 h GLU 279 Cb 0.92 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 3ih1 h GLU 279 CO -0.76 -0.51 0.56 1.15 -1.16 0.00 0.00 179.01 178.28 3ih1 h THR 280 N -0.79 1.25 -0.01 1.13 2.02 0.11 -1.55 112.91 115.07 3ih1 h THR 280 Ca -0.06 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3ih1 h THR 280 Cb 0.64 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3ih1 h THR 280 CO 0.07 0.27 0.00 2.30 0.37 0.00 0.00 175.52 178.53 3ih1 n ILE 281 N -4.36 0.01 -3.47 3.11 -5.35 -0.73 -4.94 119.36 103.64 3ih1 n ILE 281 Ca 0.10 -0.09 -0.21 0.00 -0.27 0.00 0.00 62.75 62.29 3ih1 n ILE 281 Cb 0.06 -0.15 0.08 0.00 -1.74 0.00 0.00 39.64 37.89 3ih1 n ILE 281 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3ih1 n SER 282 N -0.58 -5.16 0.23 7.28 7.64 -0.59 -4.90 113.62 117.55 3ih1 n SER 282 Ca 0.21 -0.51 0.12 0.00 1.01 0.00 0.00 58.87 59.70 3ih1 n SER 282 Cb 0.19 -4.68 0.73 0.00 -1.01 0.00 0.00 64.21 59.44 3ih1 n SER 282 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3ih1 h TYR 283 N -2.33 0.00 -0.17 1.43 3.20 -1.72 -0.93 116.97 116.46 3ih1 h TYR 283 Ca -0.53 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.34 3ih1 h TYR 283 Cb 1.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 3ih1 h TYR 283 CO 0.45 0.00 0.10 1.25 -1.64 0.00 0.00 178.16 178.32 3ih1 h HIS 284 N 0.00 0.22 -1.04 -3.82 2.76 -1.91 -2.65 115.15 108.71 3ih1 h HIS 284 Ca 0.04 -0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.48 3ih1 h HIS 284 Cb 0.17 -0.07 -0.10 0.00 1.55 0.00 0.00 27.41 28.96 3ih1 h HIS 284 CO 0.00 0.18 0.66 -0.44 -1.30 0.00 0.00 177.93 177.03 3ih1 h ASP 285 N 0.19 0.49 0.40 3.26 3.32 -1.54 0.25 116.42 122.80 3ih1 h ASP 285 Ca 0.06 0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.98 3ih1 h ASP 285 Cb 0.03 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3ih1 h ASP 285 CO -0.01 0.08 -0.97 -0.26 -1.72 0.00 0.00 179.24 176.36 3ih1 h PHE 286 N 0.43 0.55 -0.08 4.55 0.04 -1.56 -1.45 116.94 119.43 3ih1 h PHE 286 Ca 0.62 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 3ih1 h PHE 286 Cb 1.48 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.57 3ih1 h PHE 286 CO -0.00 1.14 0.04 1.49 -0.60 0.00 0.00 178.31 180.38 3ih1 h GLU 287 N 0.20 0.11 -0.47 1.51 4.57 -0.28 0.17 114.58 120.39 3ih1 h GLU 287 Ca -0.08 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 3ih1 h GLU 287 Cb 1.61 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.16 3ih1 h GLU 287 CO 0.16 0.14 -0.03 0.93 -1.18 0.00 0.00 179.01 179.03 3ih1 h GLU 288 N 0.05 0.81 0.62 1.92 5.08 -0.80 0.19 114.58 122.45 3ih1 h GLU 288 Ca 0.03 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3ih1 h GLU 288 Cb 0.06 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ih1 h GLU 288 CO -0.00 0.84 -0.30 1.25 -1.00 0.00 0.00 179.01 179.79 3ih1 h LEU 289 N 0.75 -0.71 -0.36 1.33 5.85 -1.11 0.29 115.31 121.35 3ih1 h LEU 289 Ca 0.14 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3ih1 h LEU 289 Cb 0.50 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3ih1 h LEU 289 CO 0.03 -0.41 -0.12 -0.78 -0.34 0.00 0.00 178.44 176.82 3ih1 h ASP 290 N -0.99 -0.42 0.41 1.25 3.58 -0.31 -2.04 116.42 117.90 3ih1 h ASP 290 Ca -0.09 0.12 -0.22 0.00 0.42 0.00 0.00 57.03 57.27 3ih1 h ASP 290 Cb 0.68 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 3ih1 h ASP 290 CO 0.14 -0.15 -0.92 0.74 -2.88 0.00 0.00 179.24 176.16 3ih1 h THR 291 N -0.04 1.43 -0.29 2.25 2.02 -0.67 -3.10 112.91 114.50 3ih1 h THR 291 Ca 0.18 -2.51 -0.01 0.00 0.77 0.00 0.00 66.41 64.84 3ih1 h THR 291 Cb 0.31 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3ih1 h THR 291 CO -0.39 0.74 0.12 1.23 0.37 0.00 0.00 175.52 177.59 3ih1 h GLY 292 N 1.43 0.44 2.00 2.16 0.00 -0.67 -0.59 103.07 107.83 3ih1 h GLY 292 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3ih1 h GLY 292 CO 0.15 0.19 0.00 1.39 0.00 0.00 0.00 176.54 178.27 3ih1 n ILE 293 N -4.42 0.31 0.18 2.60 5.41 -0.79 -3.59 119.36 119.07 3ih1 n ILE 293 Ca 0.01 -0.05 0.06 0.00 1.00 0.00 0.00 62.75 63.78 3ih1 n ILE 293 Cb 0.13 -0.61 0.21 0.00 -0.71 0.00 0.00 39.64 38.66 3ih1 n ILE 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ih1 h ALA 294 N 2.77 0.85 -1.07 -1.39 0.00 -1.06 -3.44 119.26 115.91 3ih1 h ALA 294 Ca 0.00 -0.31 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 3ih1 h ALA 294 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ih1 h ALA 294 CO 0.00 0.42 1.58 0.36 0.00 0.00 0.00 179.25 181.61 3ih1 n LYS 295 N -3.28 0.87 0.00 0.00 2.85 -1.24 -5.13 118.16 112.23 3ih1 n LYS 295 Ca 0.01 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 3ih1 n LYS 295 Cb 0.59 -2.64 0.00 0.00 -0.65 0.00 0.00 35.03 32.33 3ih1 n LYS 295 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76