#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hix s PHE 36 N 0.00 0.53 -0.10 0.00 -0.12 -1.26 -4.47 117.98 112.56 3hix s PHE 36 Ca 0.00 -0.15 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 3hix s PHE 36 Cb 0.00 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 42.02 3hix s PHE 36 CO 0.00 -0.02 -0.05 0.99 -0.05 0.00 0.00 175.22 176.09 3hix s THR 37 N -0.29 3.81 -0.18 -4.49 2.01 -0.76 -5.05 115.64 110.70 3hix s THR 37 Ca 0.01 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 3hix s THR 37 Cb -0.03 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3hix s THR 37 CO -0.00 0.56 0.00 -0.63 -0.69 0.00 0.00 174.62 173.86 3hix s ILE 38 N -0.34 4.13 -0.20 1.82 1.01 -1.26 -1.20 121.20 125.15 3hix s ILE 38 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 3hix s ILE 38 Cb -0.12 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 3hix s ILE 38 CO 0.02 0.46 0.00 -0.76 0.00 0.00 0.00 174.94 174.66 3hix s LEU 39 N 0.61 3.24 -0.45 2.97 1.43 0.96 -4.40 118.68 123.05 3hix s LEU 39 Ca -0.00 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 3hix s LEU 39 Cb -0.14 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3hix s LEU 39 CO 0.02 0.05 0.56 -0.62 0.23 0.00 0.00 176.35 176.59 3hix s ASP 40 N 1.05 6.25 0.00 2.29 -1.08 -1.26 -2.07 116.67 121.85 3hix s ASP 40 Ca 0.02 -0.62 0.29 0.00 -0.52 0.00 0.00 52.55 51.73 3hix s ASP 40 Cb -0.14 -2.27 1.33 0.00 -1.46 0.00 0.00 42.92 40.37 3hix s ASP 40 CO 0.02 -0.73 1.91 0.52 0.52 0.00 0.00 175.17 177.40 3hix n VAL 41 N 5.63 0.00 -1.75 1.11 0.31 -0.30 -4.00 118.33 119.32 3hix n VAL 41 Ca -0.05 -0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 3hix n VAL 41 Cb 0.47 0.06 0.15 0.00 -0.91 0.00 0.00 33.84 33.61 3hix n VAL 41 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hix s ARG 42 N -2.13 0.96 0.46 5.55 0.52 -1.26 -2.30 118.95 120.74 3hix s ARG 42 Ca 0.38 -0.07 -0.24 0.00 -0.52 0.00 0.00 55.73 55.29 3hix s ARG 42 Cb 0.21 -1.85 -0.09 0.00 0.52 0.00 0.00 34.95 33.74 3hix s ARG 42 CO 0.39 -2.25 1.15 -3.47 0.02 0.00 0.00 175.30 171.14 3hix n ASP 43 N -3.73 1.88 -0.00 0.23 -0.08 -1.26 -4.14 116.55 109.45 3hix n ASP 43 Ca 0.11 1.03 0.07 0.00 -1.51 0.00 0.00 54.79 54.49 3hix n ASP 43 Cb 0.60 -1.44 0.48 0.00 2.34 0.00 0.00 41.12 43.09 3hix n ASP 43 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3hix h ARG 44 N 1.61 0.43 -0.36 -0.67 9.65 -1.97 0.21 114.38 123.29 3hix h ARG 44 Ca -0.47 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3hix h ARG 44 Cb 1.32 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 3hix h ARG 44 CO 0.57 0.28 0.23 0.77 2.80 0.00 0.00 179.97 184.63 3hix h SER 45 N 0.44 0.40 -0.12 -3.80 0.02 -1.99 -0.27 113.55 108.22 3hix h SER 45 Ca 0.18 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 3hix h SER 45 Cb 0.17 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hix h SER 45 CO -0.04 0.29 -0.51 0.74 -1.14 0.00 0.00 176.83 176.17 3hix h THR 46 N 0.47 1.30 -0.91 -2.27 2.02 -1.48 -2.94 112.91 109.10 3hix h THR 46 Ca 0.13 -1.72 0.01 0.00 0.77 0.00 0.00 66.41 65.60 3hix h THR 46 Cb -0.05 1.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 3hix h THR 46 CO -0.03 0.55 0.60 0.22 0.37 0.00 0.00 175.52 177.23 3hix h TYR 47 N 0.55 1.16 0.00 3.16 5.03 -0.31 -2.12 116.97 124.43 3hix h TYR 47 Ca 0.02 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 3hix h TYR 47 Cb 1.07 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 3hix h TYR 47 CO 0.05 0.73 -0.23 -0.91 -1.32 0.00 0.00 178.16 176.49 3hix h ASN 48 N 1.24 0.00 0.44 -2.11 -0.26 -0.89 -2.15 115.58 111.85 3hix h ASN 48 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 3hix h ASN 48 Cb -0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 3hix h ASN 48 CO -0.07 0.23 0.00 0.47 -1.06 0.00 0.00 177.43 177.00 3hix n ASP 49 N -4.01 0.00 0.00 5.81 8.00 -0.80 -1.84 116.55 123.71 3hix n ASP 49 Ca -0.02 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3hix n ASP 49 Cb 0.30 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3hix n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hix n GLY 50 N 0.84 3.74 3.19 0.44 0.00 -0.81 -4.87 105.19 107.72 3hix n GLY 50 Ca 0.12 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3hix n GLY 50 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hix s HIS 51 N 0.00 0.55 0.00 1.61 -3.43 -0.17 -4.68 115.29 109.18 3hix s HIS 51 Ca 0.00 -0.97 0.00 0.00 -0.80 0.00 0.00 55.06 53.29 3hix s HIS 51 Cb 0.00 -0.28 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 3hix s HIS 51 CO 0.00 -0.55 0.00 -0.89 -2.00 0.00 0.00 174.74 171.30 3hix n ILE 52 N -0.08 0.00 0.00 -5.38 5.41 -1.26 -0.68 119.36 117.38 3hix n ILE 52 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3hix n ILE 52 Cb 0.63 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 3hix n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hix n GLY 54 N 0.00 0.00 0.00 7.39 0.00 -1.26 -4.68 105.19 106.64 3hix n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hix n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hix n ALA 55 N 0.00 0.00 -2.22 4.61 0.00 -1.26 -4.77 120.51 116.87 3hix n ALA 55 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hix n ALA 55 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3hix n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hix s ALA 57 N -2.97 1.27 -0.12 0.00 0.00 -1.26 -4.85 121.76 113.83 3hix s ALA 57 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 3hix s ALA 57 Cb 0.00 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3hix s ALA 57 CO 0.00 -0.17 0.33 -2.14 0.00 0.00 0.00 175.76 173.77 3hix s PRO 59 N -3.80 0.40 0.30 0.00 0.02 -1.26 -4.93 135.00 125.73 3hix s PRO 59 Ca 0.16 0.42 0.02 0.00 0.02 0.00 0.00 61.00 61.62 3hix s PRO 59 Cb 0.04 0.19 0.74 0.00 0.02 0.00 0.00 34.50 35.49 3hix s PRO 59 CO -0.01 -0.05 1.61 0.82 -0.33 0.00 0.00 177.00 179.03 3hix h ILE 60 N 4.59 0.16 -0.35 2.83 1.08 -1.73 0.30 117.51 124.39 3hix h ILE 60 Ca -0.26 -0.03 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3hix h ILE 60 Cb 1.19 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 3hix h ILE 60 CO 0.31 0.02 0.23 1.05 -0.69 0.00 0.00 178.15 179.07 3hix h GLU 61 N 0.09 0.39 0.00 2.37 4.11 -1.98 -2.87 114.58 116.69 3hix h GLU 61 Ca 0.57 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.98 3hix h GLU 61 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hix h GLU 61 CO -0.78 0.25 -0.92 -0.25 0.07 0.00 0.00 179.01 177.38 3hix n ASP 62 N -4.49 0.82 -0.17 3.06 8.00 0.23 -4.77 116.55 119.24 3hix n ASP 62 Ca 0.03 -0.79 -0.04 0.00 0.71 0.00 0.00 54.79 54.70 3hix n ASP 62 Cb 0.13 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.29 3hix n ASP 62 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3hix n LEU 63 N -1.49 -0.43 0.03 0.64 7.94 0.81 -0.86 117.00 123.64 3hix n LEU 63 Ca 0.02 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 55.97 3hix n LEU 63 Cb 0.29 -0.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.90 3hix n LEU 63 CO 0.35 -0.80 0.75 0.58 -1.11 0.00 0.00 177.39 177.16 3hix h VAL 64 N 0.00 0.58 -0.68 1.96 2.07 -1.86 0.18 116.25 118.50 3hix h VAL 64 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3hix h VAL 64 Cb 0.17 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3hix h VAL 64 CO -0.38 0.00 0.32 0.44 0.02 0.00 0.00 177.57 177.97 3hix h ASP 65 N -0.25 0.89 -0.05 0.57 3.32 -1.83 -0.30 116.42 118.78 3hix h ASP 65 Ca 0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3hix h ASP 65 Cb 0.34 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hix h ASP 65 CO -0.20 0.78 -0.00 0.03 -1.72 0.00 0.00 179.24 178.13 3hix h ARG 66 N 0.95 0.08 -0.61 3.56 3.08 -0.67 -2.94 114.38 117.82 3hix h ARG 66 Ca 0.23 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3hix h ARG 66 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3hix h ARG 66 CO -0.03 0.37 0.12 0.00 -1.07 0.00 0.00 179.97 179.37 3hix h ALA 67 N 0.71 0.81 0.00 0.04 0.00 -0.62 -2.59 119.26 117.60 3hix h ALA 67 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hix h ALA 67 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hix h ALA 67 CO 0.00 0.54 0.00 0.43 0.00 0.00 0.00 179.25 180.22 3hix n SER 68 N -4.32 0.57 -0.45 0.00 7.64 -0.13 -1.83 113.62 115.10 3hix n SER 68 Ca 0.03 0.76 0.07 0.00 1.01 0.00 0.00 58.87 60.75 3hix n SER 68 Cb 0.26 -0.84 0.17 0.00 -1.01 0.00 0.00 64.21 62.79 3hix n SER 68 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hix n SER 69 N -2.26 1.83 0.00 6.43 7.64 -0.98 -4.76 113.62 121.52 3hix n SER 69 Ca -0.01 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.44 3hix n SER 69 Cb 0.04 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3hix n SER 69 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hix n SER 70 N -1.10 0.00 -3.85 6.43 3.41 -0.77 -5.04 113.62 112.70 3hix n SER 70 Ca 0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 3hix n SER 70 Cb 0.70 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.52 3hix n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hix s LEU 71 N 0.00 1.77 0.81 1.04 1.43 -0.76 -5.06 118.68 117.91 3hix s LEU 71 Ca 0.00 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 3hix s LEU 71 Cb 0.00 0.21 0.07 0.00 0.03 0.00 0.00 46.19 46.50 3hix s LEU 71 CO 0.00 -0.03 1.10 -1.83 0.23 0.00 0.00 176.35 175.83 3hix s GLU 72 N 0.01 2.02 0.00 1.70 1.03 -1.26 -4.69 118.70 117.51 3hix s GLU 72 Ca -0.00 0.59 0.00 0.00 0.03 0.00 0.00 54.97 55.59 3hix s GLU 72 Cb -0.01 -1.91 0.00 0.00 -0.80 0.00 0.00 34.13 31.41 3hix s GLU 72 CO 0.00 -1.66 0.82 1.63 -1.33 0.00 0.00 175.26 174.73 3hix n LYS 73 N -3.45 0.91 0.00 -4.83 5.02 -1.26 -2.97 118.16 111.58 3hix n LYS 73 Ca 0.07 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.37 3hix n LYS 73 Cb 0.57 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3hix n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hix n SER 74 N -0.40 0.73 -4.75 4.39 3.41 -1.26 -0.54 113.62 115.20 3hix n SER 74 Ca 0.00 -0.87 -0.41 0.00 -0.26 0.00 0.00 58.87 57.33 3hix n SER 74 Cb 0.04 0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3hix n SER 74 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hix s ARG 75 N -0.61 4.34 -0.50 4.33 6.06 -1.16 -4.76 118.95 126.65 3hix s ARG 75 Ca 0.02 2.20 -0.27 0.00 -2.50 0.00 0.00 55.73 55.18 3hix s ARG 75 Cb 0.02 -3.12 -0.03 0.00 0.06 0.00 0.00 34.95 31.89 3hix s ARG 75 CO 0.05 -0.28 1.90 -0.51 -2.50 0.00 0.00 175.30 173.96 3hix s ASP 76 N 0.01 5.39 -0.13 -2.12 -0.00 -1.26 -4.46 116.67 114.10 3hix s ASP 76 Ca 0.54 0.74 -0.04 0.00 -0.00 0.00 0.00 52.55 53.80 3hix s ASP 76 Cb -0.40 -2.53 -0.03 0.00 -0.00 0.00 0.00 42.92 39.97 3hix s ASP 76 CO 0.46 -2.21 0.02 -0.63 -0.00 0.00 0.00 175.17 172.80 3hix s ILE 77 N 8.69 4.41 -0.10 0.77 1.01 -0.56 -1.83 121.20 133.59 3hix s ILE 77 Ca 0.75 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3hix s ILE 77 Cb -0.16 -2.91 0.02 0.00 0.01 0.00 0.00 42.46 39.41 3hix s ILE 77 CO 0.26 0.54 -0.13 -0.31 0.00 0.00 0.00 174.94 175.29 3hix s TYR 78 N -0.26 1.80 0.03 3.97 2.02 -0.34 -0.43 117.35 124.14 3hix s TYR 78 Ca 0.06 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 55.99 3hix s TYR 78 Cb -0.12 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3hix s TYR 78 CO 0.02 -0.44 -0.11 0.08 -1.57 0.00 0.00 175.55 173.53 3hix s VAL 79 N 1.03 3.33 -0.10 0.71 1.01 -0.45 -0.03 120.40 125.90 3hix s VAL 79 Ca -0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 3hix s VAL 79 Cb -0.15 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.82 3hix s VAL 79 CO -0.01 0.32 0.23 -0.72 0.00 0.00 0.00 175.10 174.92 3hix s TYR 80 N -1.01 -0.29 0.00 5.22 -0.85 -0.88 -0.69 117.35 118.84 3hix s TYR 80 Ca 0.17 0.72 0.00 0.00 -0.52 0.00 0.00 57.07 57.44 3hix s TYR 80 Cb -0.11 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.27 3hix s TYR 80 CO 0.08 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 174.31 3hix n GLY 81 N 4.05 4.24 3.51 5.49 0.00 -1.26 -1.15 105.19 120.07 3hix n GLY 81 Ca -0.24 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 3hix n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hix s ALA 82 N -2.00 3.60 0.00 4.61 0.00 -1.26 -4.75 121.76 121.96 3hix s ALA 82 Ca 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 51.96 48.91 3hix s ALA 82 Cb 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.80 3hix s ALA 82 CO 0.00 -3.04 0.00 0.41 0.00 0.00 0.00 175.76 173.13 3hix n GLY 83 N 4.93 1.97 0.27 0.00 0.00 -1.26 -4.53 105.19 106.58 3hix n GLY 83 Ca 0.39 -1.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 3hix n GLY 83 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3hix h ASP 84 N 0.00 0.84 0.19 1.61 3.58 -1.99 -2.10 116.42 118.55 3hix h ASP 84 Ca 0.00 -0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.29 3hix h ASP 84 Cb 0.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 3hix h ASP 84 CO 0.00 0.78 -0.23 -0.08 -2.88 0.00 0.00 179.24 176.83 3hix h GLU 85 N 0.85 -0.45 -0.66 0.28 4.81 -1.99 0.09 114.58 117.50 3hix h GLU 85 Ca 0.20 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3hix h GLU 85 Cb 0.20 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3hix h GLU 85 CO -0.02 -0.30 0.22 0.37 -0.73 0.00 0.00 179.01 178.55 3hix h GLN 86 N -0.47 1.01 -0.50 1.92 4.15 -1.79 -0.99 115.11 118.44 3hix h GLN 86 Ca 0.01 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.21 3hix h GLN 86 Cb 0.46 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3hix h GLN 86 CO -0.08 0.87 0.26 1.15 -1.93 0.00 0.00 178.83 179.11 3hix h THR 87 N 0.95 1.18 -0.40 2.39 2.02 -1.21 -2.23 112.91 115.60 3hix h THR 87 Ca 0.21 -0.48 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 3hix h THR 87 Cb 0.27 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3hix h THR 87 CO -0.01 0.19 -0.12 0.28 0.37 0.00 0.00 175.52 176.24 3hix h SER 88 N 0.67 0.79 -0.91 4.18 0.02 -0.82 -2.23 113.55 115.26 3hix h SER 88 Ca 0.18 -0.37 0.12 0.00 -0.84 0.00 0.00 61.79 60.88 3hix h SER 88 Cb 0.07 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 3hix h SER 88 CO -0.03 0.98 0.58 -0.61 -1.14 0.00 0.00 176.83 176.62 3hix h GLN 89 N 0.59 0.78 -0.13 3.45 4.15 -0.98 -1.36 115.11 121.61 3hix h GLN 89 Ca 0.10 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.31 3hix h GLN 89 Cb 0.65 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.17 3hix h GLN 89 CO 0.04 0.52 -0.55 0.00 -1.93 0.00 0.00 178.83 176.91 3hix h ALA 90 N 1.58 0.25 -0.83 3.38 0.00 -1.21 -2.35 119.26 120.06 3hix h ALA 90 Ca 0.44 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hix h ALA 90 Cb 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3hix h ALA 90 CO -0.21 0.46 0.55 0.28 0.00 0.00 0.00 179.25 180.33 3hix h VAL 91 N 0.25 1.20 -0.27 0.00 2.07 -0.80 -2.00 116.25 116.70 3hix h VAL 91 Ca -0.03 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 3hix h VAL 91 Cb 1.18 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3hix h VAL 91 CO 0.11 0.20 -0.26 0.78 0.02 0.00 0.00 177.57 178.43 3hix h ASN 92 N 1.12 0.53 0.23 0.57 -0.26 -1.28 -1.74 115.58 114.75 3hix h ASN 92 Ca 0.31 -0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 3hix h ASN 92 Cb -0.12 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.00 3hix h ASN 92 CO -0.07 0.78 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.89 3hix h LEU 93 N 0.46 -0.26 -1.28 1.61 4.07 -0.85 0.16 115.31 119.22 3hix h LEU 93 Ca 0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 3hix h LEU 93 Cb 0.69 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.47 3hix h LEU 93 CO 0.05 -0.07 0.40 -0.07 -1.08 0.00 0.00 178.44 177.67 3hix h LEU 94 N -0.44 0.78 -0.42 1.67 3.38 -1.31 0.84 115.31 119.80 3hix h LEU 94 Ca -0.03 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 3hix h LEU 94 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3hix h LEU 94 CO 0.05 0.60 -0.76 0.03 0.09 0.00 0.00 178.44 178.45 3hix h ARG 95 N 0.90 0.28 0.00 1.13 3.08 -1.16 0.57 114.38 119.18 3hix h ARG 95 Ca 0.24 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hix h ARG 95 Cb -0.04 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hix h ARG 95 CO -0.04 0.91 0.00 1.03 -1.07 0.00 0.00 179.97 180.80 3hix h SER 96 N 0.18 0.00 -0.06 7.04 0.87 0.02 -2.23 113.55 119.36 3hix h SER 96 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3hix h SER 96 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3hix h SER 96 CO 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.42 3hix n ALA 97 N -2.09 2.55 -0.40 6.23 0.00 0.22 -4.94 120.51 122.08 3hix n ALA 97 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3hix n ALA 97 Cb 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3hix n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hix n GLY 98 N 1.18 0.76 3.69 0.00 0.00 -0.84 -5.04 105.19 104.95 3hix n GLY 98 Ca 0.18 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3hix n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hix s PHE 99 N -2.00 3.52 0.18 1.61 0.40 0.15 -4.87 117.98 116.98 3hix s PHE 99 Ca 0.00 1.43 -0.05 0.00 -0.60 0.00 0.00 56.93 57.72 3hix s PHE 99 Cb 0.00 -3.04 0.09 0.00 0.51 0.00 0.00 43.02 40.58 3hix s PHE 99 CO 0.00 -0.13 1.51 0.93 0.70 0.00 0.00 175.22 178.23 3hix h GLU 100 N 7.05 0.64 -2.74 0.44 5.08 -1.14 -3.40 114.58 120.51 3hix h GLU 100 Ca -0.34 -0.38 -0.61 0.00 -1.00 0.00 0.00 59.36 57.03 3hix h GLU 100 Cb 1.17 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 3hix h GLU 100 CO 0.81 0.99 -0.75 0.72 -1.00 0.00 0.00 179.01 179.78 3hix n HIS 101 N -3.99 1.52 -3.98 4.33 8.25 -1.26 -5.07 115.22 115.02 3hix n HIS 101 Ca -0.03 -3.89 -0.35 0.00 -0.26 0.00 0.00 57.72 53.19 3hix n HIS 101 Cb 0.58 -0.26 -0.12 0.00 1.12 0.00 0.00 29.99 31.31 3hix n HIS 101 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hix s VAL 102 N -0.90 4.10 0.44 1.59 1.01 -1.26 -1.49 120.40 123.89 3hix s VAL 102 Ca 0.29 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3hix s VAL 102 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3hix s VAL 102 CO -0.18 0.41 0.03 -0.44 0.00 0.00 0.00 175.10 174.93 3hix s SER 103 N 1.13 3.55 0.11 3.32 0.01 0.43 -5.01 113.70 117.24 3hix s SER 103 Ca 0.03 -1.53 0.09 0.00 1.31 0.00 0.00 55.95 55.85 3hix s SER 103 Cb -0.14 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 3hix s SER 103 CO 0.02 -0.71 -0.23 -1.83 0.41 0.00 0.00 173.24 170.90 3hix s GLU 104 N -3.80 1.22 -0.55 12.44 -1.05 -1.26 -1.34 118.70 124.35 3hix s GLU 104 Ca 0.22 -1.21 -0.19 0.00 -0.15 0.00 0.00 54.97 53.64 3hix s GLU 104 Cb 0.05 -1.55 0.09 0.00 -0.44 0.00 0.00 34.13 32.29 3hix s GLU 104 CO 0.11 0.36 0.64 -0.51 0.95 0.00 0.00 175.26 176.82 3hix s LEU 105 N -1.93 5.34 -0.11 1.83 1.43 0.13 -4.83 118.68 120.54 3hix s LEU 105 Ca 0.09 -1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 51.60 3hix s LEU 105 Cb -0.10 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 3hix s LEU 105 CO 0.05 -1.00 1.87 -0.54 0.23 0.00 0.00 176.35 176.96 3hix s LYS 106 N 2.52 3.83 0.00 1.70 1.02 -1.26 -1.64 119.74 125.91 3hix s LYS 106 Ca 0.11 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.25 3hix s LYS 106 Cb -0.23 -4.14 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 3hix s LYS 106 CO 0.08 -1.28 0.00 0.41 -0.92 0.00 0.00 175.35 173.64 3hix n GLY 107 N 4.77 0.23 7.00 -3.33 0.00 -1.26 -4.76 105.19 107.83 3hix n GLY 107 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3hix n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hix n GLY 108 N -1.91 2.15 0.14 -0.02 0.00 -0.65 -2.52 105.19 102.38 3hix n GLY 108 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 3hix n GLY 108 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hix h LEU 109 N 0.00 -0.04 -0.87 0.99 6.46 -1.90 -2.37 115.31 117.57 3hix h LEU 109 Ca 0.00 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3hix h LEU 109 Cb 0.00 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 3hix h LEU 109 CO 0.00 0.01 0.56 0.00 -0.62 0.00 0.00 178.44 178.40 3hix h ALA 110 N 1.25 1.16 -0.30 1.25 0.00 -1.97 -0.55 119.26 120.10 3hix h ALA 110 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3hix h ALA 110 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hix h ALA 110 CO -0.22 0.39 -0.29 0.00 0.00 0.00 0.00 179.25 179.13 3hix h ALA 111 N 1.37 0.92 -0.38 0.00 0.00 -1.23 -1.42 119.26 118.52 3hix h ALA 111 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3hix h ALA 111 Cb 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hix h ALA 111 CO -0.13 0.62 0.05 2.35 0.00 0.00 0.00 179.25 182.14 3hix h TRP 112 N 0.54 0.67 0.00 0.00 2.91 -0.87 -2.49 115.95 116.71 3hix h TRP 112 Ca 0.07 -0.10 -0.08 0.00 1.13 0.00 0.00 58.89 59.91 3hix h TRP 112 Cb 0.78 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.23 3hix h TRP 112 CO 0.03 0.68 -0.40 0.87 -1.03 0.00 0.00 178.44 178.60 3hix h LYS 113 N 0.47 0.00 0.00 2.65 1.57 -1.02 -0.32 116.57 119.92 3hix h LYS 113 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3hix h LYS 113 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3hix h LYS 113 CO 0.01 0.40 -0.14 0.00 -0.57 0.00 0.00 179.45 179.14 3hix h ALA 114 N 1.60 1.55 -0.60 3.86 0.00 -0.80 -1.75 119.26 123.12 3hix h ALA 114 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hix h ALA 114 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hix h ALA 114 CO 0.05 0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.92 3hix n ILE 115 N -4.06 1.67 -0.76 0.00 -5.35 -1.07 -4.93 119.36 104.86 3hix n ILE 115 Ca -0.02 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 3hix n ILE 115 Cb 0.22 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.32 3hix n ILE 115 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hix n GLY 116 N 1.02 0.62 3.72 3.28 0.00 -0.66 -5.04 105.19 108.13 3hix n GLY 116 Ca 0.24 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3hix n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hix n GLY 117 N -2.76 0.49 3.78 -0.02 0.00 -0.15 -4.97 105.19 101.56 3hix n GLY 117 Ca 0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3hix n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hix s PRO 118 N -3.14 4.28 0.06 1.61 0.04 -1.26 -4.60 135.00 131.98 3hix s PRO 118 Ca 0.79 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 3hix s PRO 118 Cb -0.40 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 3hix s PRO 118 CO 0.44 -0.03 -0.04 0.95 0.04 0.00 0.00 177.00 178.36 3hix s THR 119 N -1.66 0.34 0.05 1.26 -4.23 -1.26 -4.55 115.64 105.59 3hix s THR 119 Ca 0.56 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.44 3hix s THR 119 Cb -0.21 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 3hix s THR 119 CO 0.26 -0.87 -0.16 -1.61 -0.54 0.00 0.00 174.62 171.70 3hix s GLU 120 N -3.46 1.03 -0.02 3.99 2.02 0.15 -4.94 118.70 117.47 3hix s GLU 120 Ca 0.04 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.27 3hix s GLU 120 Cb 0.04 -1.08 -0.02 0.00 0.10 0.00 0.00 34.13 33.17 3hix s GLU 120 CO -0.07 0.27 -0.22 -0.51 0.02 0.00 0.00 175.26 174.75 3hix s LEU 121 N -1.22 2.33 0.33 1.80 1.02 -1.26 -1.00 118.68 120.68 3hix s LEU 121 Ca 0.03 -0.39 0.07 0.00 0.02 0.00 0.00 54.13 53.86 3hix s LEU 121 Cb -0.08 -1.42 -0.02 0.00 0.02 0.00 0.00 46.19 44.69 3hix s LEU 121 CO 0.02 0.32 0.36 -1.61 0.02 0.00 0.00 176.35 175.45 3hix s GLU 122 N -0.78 2.91 -0.03 1.70 0.41 -0.77 -4.99 118.70 117.15 3hix s GLU 122 Ca 0.11 -1.16 -0.30 0.00 -0.41 0.00 0.00 54.97 53.21 3hix s GLU 122 Cb -0.10 -2.63 -0.04 0.00 -1.78 0.00 0.00 34.13 29.59 3hix s GLU 122 CO 0.00 0.10 1.17 -1.58 -0.49 0.00 0.00 175.26 174.46 3hix s HIS 123 N -2.24 3.29 0.32 1.61 5.65 -1.26 -4.84 115.29 117.81 3hix s HIS 123 Ca 0.42 1.29 -0.19 0.00 0.25 0.00 0.00 55.06 56.83 3hix s HIS 123 Cb -0.07 -3.39 0.03 0.00 -1.18 0.00 0.00 32.58 27.98 3hix s HIS 123 CO 0.28 -1.15 0.75 -3.38 -0.65 0.00 0.00 174.74 170.60 3hix s HIS 124 N 1.90 -0.07 0.36 3.88 -3.43 -1.26 -5.11 115.29 111.56 3hix s HIS 124 Ca 0.56 -0.47 0.09 0.00 -0.80 0.00 0.00 55.06 54.43 3hix s HIS 124 Cb -0.25 0.76 -0.06 0.00 -1.43 0.00 0.00 32.58 31.61 3hix s HIS 124 CO 0.23 -1.36 0.04 -1.01 -2.00 0.00 0.00 174.74 170.64 3hix s HIS 125 N -3.28 2.56 0.19 0.38 3.76 -1.26 -5.16 115.29 112.48 3hix s HIS 125 Ca 0.13 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.40 3hix s HIS 125 Cb -0.06 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.07 3hix s HIS 125 CO 0.09 0.43 0.49 -1.01 -0.85 0.00 0.00 174.74 173.89 3hix s HIS 126 N -2.54 -0.07 -0.27 1.40 3.76 -1.26 -5.09 115.29 111.21 3hix s HIS 126 Ca 0.36 -0.27 0.22 0.00 -0.15 0.00 0.00 55.06 55.21 3hix s HIS 126 Cb 0.01 0.34 0.50 0.00 1.11 0.00 0.00 32.58 34.54 3hix s HIS 126 CO 0.20 -0.89 1.14 0.72 -0.85 0.00 0.00 174.74 175.06 3hix n HIS 127 N -0.32 0.90 -1.77 1.40 8.25 -1.26 -5.38 115.22 117.03 3hix n HIS 127 Ca -0.10 -2.15 0.00 0.00 -0.26 0.00 0.00 57.72 55.21 3hix n HIS 127 Cb 0.63 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.68 3hix n HIS 127 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70