#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihp s GLN 2 N 0.00 3.53 0.32 3.17 -0.21 -1.26 -0.98 119.66 124.23 3ihp s GLN 2 Ca 0.00 -0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.18 3ihp s GLN 2 Cb 0.00 -3.15 -0.05 0.00 1.00 0.00 0.00 33.01 30.81 3ihp s GLN 2 CO 0.00 0.62 0.09 0.96 -2.12 0.00 0.00 175.29 174.84 3ihp s ILE 3 N -0.59 0.87 0.05 1.08 -4.36 -0.67 0.86 121.20 118.43 3ihp s ILE 3 Ca 0.12 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 3ihp s ILE 3 Cb -0.12 -2.67 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 3ihp s ILE 3 CO 0.02 0.00 -0.20 -0.36 0.24 0.00 0.00 174.94 174.64 3ihp s PHE 4 N -3.43 2.50 -0.16 1.37 0.40 0.39 -1.55 117.98 117.49 3ihp s PHE 4 Ca 0.35 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 3ihp s PHE 4 Cb 0.07 -1.43 0.03 0.00 0.51 0.00 0.00 43.02 42.21 3ihp s PHE 4 CO 0.15 0.24 -0.10 0.08 0.70 0.00 0.00 175.22 176.29 3ihp s VAL 5 N -0.92 1.41 -0.20 -0.44 1.01 -0.38 -0.77 120.40 120.11 3ihp s VAL 5 Ca 0.14 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 3ihp s VAL 5 Cb -0.10 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 3ihp s VAL 5 CO 0.05 0.27 0.97 -0.75 0.00 0.00 0.00 175.10 175.64 3ihp s LYS 6 N 1.52 4.29 0.62 2.72 2.20 -0.06 -1.66 119.74 129.37 3ihp s LYS 6 Ca 0.02 1.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 3ihp s LYS 6 Cb -0.15 -3.61 0.07 0.00 -1.51 0.00 0.00 37.83 32.63 3ihp s LYS 6 CO -0.09 -0.51 0.87 0.95 -0.36 0.00 0.00 175.35 176.21 3ihp s THR 7 N 2.75 2.44 -1.53 3.43 -4.23 -0.08 -2.29 115.64 116.13 3ihp s THR 7 Ca 0.43 -0.62 0.27 0.00 -1.18 0.00 0.00 61.69 60.59 3ihp s THR 7 Cb -0.16 -2.82 0.53 0.00 1.34 0.00 0.00 72.50 71.39 3ihp s THR 7 CO 0.10 0.00 1.94 0.18 -0.54 0.00 0.00 174.62 176.29 3ihp n LEU 8 N -2.55 0.00 -0.10 4.79 4.77 -1.26 -1.54 117.00 121.11 3ihp n LEU 8 Ca 0.11 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.18 3ihp n LEU 8 Cb 0.60 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3ihp n LEU 8 CO 0.44 -0.03 0.54 0.74 -1.33 0.00 0.00 177.39 177.76 3ihp h THR 9 N 0.00 1.29 0.00 -5.08 2.02 -1.99 -3.47 112.91 105.67 3ihp h THR 9 Ca 0.00 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.64 3ihp h THR 9 Cb 0.21 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3ihp h THR 9 CO 0.00 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.00 3ihp n GLY 10 N 0.18 0.94 3.72 2.16 0.00 -0.59 -5.10 105.19 106.50 3ihp n GLY 10 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3ihp n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ihp s LYS 11 N 0.00 4.17 -0.17 1.61 2.20 -1.26 -4.66 119.74 121.63 3ihp s LYS 11 Ca 0.00 2.49 -0.08 0.00 -0.36 0.00 0.00 55.97 58.03 3ihp s LYS 11 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 3ihp s LYS 11 CO 0.00 -0.68 0.08 0.99 -0.36 0.00 0.00 175.35 175.38 3ihp s THR 12 N 1.11 4.99 0.34 3.43 2.01 -1.26 -0.91 115.64 125.35 3ihp s THR 12 Ca 0.72 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.85 3ihp s THR 12 Cb -0.47 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 3ihp s THR 12 CO 0.32 0.49 -0.05 0.27 -0.69 0.00 0.00 174.62 174.96 3ihp s ILE 13 N 0.08 2.44 0.10 1.82 -4.36 -0.66 -4.95 121.20 115.67 3ihp s ILE 13 Ca 0.06 -2.10 0.05 0.00 -0.26 0.00 0.00 60.65 58.40 3ihp s ILE 13 Cb -0.12 -2.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 3ihp s ILE 13 CO 0.00 -0.21 0.04 0.42 0.24 0.00 0.00 174.94 175.44 3ihp s THR 14 N -2.56 4.20 -0.02 8.37 -4.23 -1.26 -1.25 115.64 118.89 3ihp s THR 14 Ca 0.34 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 3ihp s THR 14 Cb 0.01 -3.04 -0.00 0.00 1.34 0.00 0.00 72.50 70.81 3ihp s THR 14 CO 0.18 0.07 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.48 3ihp s LEU 15 N -2.48 1.88 -0.33 4.79 1.43 -0.59 -4.94 118.68 118.44 3ihp s LEU 15 Ca 0.28 -0.19 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 3ihp s LEU 15 Cb -0.11 -0.55 0.01 0.00 0.03 0.00 0.00 46.19 45.57 3ihp s LEU 15 CO 0.20 0.09 1.18 -1.61 0.23 0.00 0.00 176.35 176.44 3ihp s GLU 16 N 0.02 3.97 0.13 1.70 2.02 -1.26 -1.68 118.70 123.60 3ihp s GLU 16 Ca -0.00 1.10 0.02 0.00 0.02 0.00 0.00 54.97 56.11 3ihp s GLU 16 Cb -0.07 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 3ihp s GLU 16 CO 0.00 -1.04 -0.05 0.14 0.02 0.00 0.00 175.26 174.33 3ihp s VAL 17 N 4.04 0.78 0.15 2.63 -7.23 -0.16 -4.96 120.40 115.65 3ihp s VAL 17 Ca 0.50 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.77 3ihp s VAL 17 Cb -0.14 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 3ihp s VAL 17 CO 0.20 -0.72 -0.03 -1.61 -0.31 0.00 0.00 175.10 172.63 3ihp s GLU 18 N -3.84 2.32 0.58 4.82 0.41 -1.26 -0.07 118.70 121.66 3ihp s GLU 18 Ca 0.17 -1.08 0.28 0.00 -0.41 0.00 0.00 54.97 53.94 3ihp s GLU 18 Cb 0.05 -2.34 1.77 0.00 -1.78 0.00 0.00 34.13 31.82 3ihp s GLU 18 CO -0.01 0.47 2.24 -1.35 -0.49 0.00 0.00 175.26 176.13 3ihp h PRO 19 N 3.01 0.00 -0.07 0.39 0.11 -1.97 -2.29 132.00 131.19 3ihp h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ihp h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ihp h PRO 19 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 3ihp n SER 20 N -3.91 0.96 -4.74 -2.05 3.41 -1.26 -0.85 113.62 105.19 3ihp n SER 20 Ca -0.03 -1.48 -0.41 0.00 -0.26 0.00 0.00 58.87 56.69 3ihp n SER 20 Cb 0.10 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3ihp n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ihp s ASP 21 N -1.73 7.06 1.00 4.04 1.01 -0.86 -4.82 116.67 122.37 3ihp s ASP 21 Ca 0.35 2.27 -0.12 0.00 0.71 0.00 0.00 52.55 55.76 3ihp s ASP 21 Cb 0.18 -2.61 0.19 0.00 1.01 0.00 0.00 42.92 41.69 3ihp s ASP 21 CO 0.28 -0.38 1.08 0.42 0.21 0.00 0.00 175.17 176.78 3ihp s THR 22 N -0.15 2.28 0.10 -1.27 -4.23 -1.26 -1.43 115.64 109.69 3ihp s THR 22 Ca 0.53 0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 3ihp s THR 22 Cb -0.33 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 3ihp s THR 22 CO 0.38 -0.12 1.52 0.40 -0.54 0.00 0.00 174.62 176.26 3ihp h ILE 23 N -1.98 1.27 -0.03 2.99 1.08 -1.33 -2.43 117.51 117.08 3ihp h ILE 23 Ca -0.53 -1.06 -0.00 0.00 -0.39 0.00 0.00 64.86 62.87 3ihp h ILE 23 Cb 1.31 1.30 -0.00 0.00 -3.07 0.00 0.00 36.82 36.35 3ihp h ILE 23 CO 0.52 0.35 -0.00 1.05 -0.69 0.00 0.00 178.15 179.38 3ihp h GLU 24 N 0.40 0.04 -0.12 2.37 9.09 -1.90 0.57 114.58 125.03 3ihp h GLU 24 Ca 0.09 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.49 3ihp h GLU 24 Cb 0.52 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.61 3ihp h GLU 24 CO 0.03 0.05 0.06 -0.97 0.05 0.00 0.00 179.01 178.22 3ihp h ASN 25 N 0.04 0.16 -0.26 3.06 -0.73 -1.91 0.38 115.58 116.33 3ihp h ASN 25 Ca 0.01 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 3ihp h ASN 25 Cb 0.03 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 3ihp h ASN 25 CO 0.00 0.24 0.06 0.58 -0.37 0.00 0.00 177.43 177.94 3ihp h VAL 26 N 0.07 1.22 -0.61 2.57 2.07 -0.43 0.83 116.25 121.96 3ihp h VAL 26 Ca 0.04 -0.72 0.13 0.00 0.82 0.00 0.00 66.70 66.96 3ihp h VAL 26 Cb 0.12 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 3ihp h VAL 26 CO -0.01 0.23 0.06 0.11 0.02 0.00 0.00 177.57 177.99 3ihp h LYS 27 N 0.24 0.17 -0.40 1.57 1.57 0.06 -0.30 116.57 119.48 3ihp h LYS 27 Ca 0.08 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3ihp h LYS 27 Cb 0.30 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3ihp h LYS 27 CO 0.00 0.11 0.01 0.00 -0.57 0.00 0.00 179.45 179.00 3ihp h ALA 28 N 1.53 1.27 0.00 3.86 0.00 -0.54 -1.61 119.26 123.77 3ihp h ALA 28 Ca 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ihp h ALA 28 Cb 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ihp h ALA 28 CO -0.48 0.49 -0.14 0.87 0.00 0.00 0.00 179.25 179.99 3ihp h LYS 29 N 0.60 0.00 0.04 0.00 1.57 0.74 -1.97 116.57 117.56 3ihp h LYS 29 Ca 0.13 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 3ihp h LYS 29 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3ihp h LYS 29 CO 0.01 0.14 -0.45 0.82 -0.57 0.00 0.00 179.45 179.40 3ihp h ILE 30 N 0.00 1.54 -0.52 1.86 2.04 -0.19 -3.03 117.51 119.21 3ihp h ILE 30 Ca -0.00 -2.19 0.10 0.00 1.00 0.00 0.00 64.86 63.77 3ihp h ILE 30 Cb 0.53 2.93 -0.09 0.00 -0.74 0.00 0.00 36.82 39.45 3ihp h ILE 30 CO 0.02 0.61 -0.00 -0.61 0.00 0.00 0.00 178.15 178.17 3ihp h GLN 31 N -0.44 0.11 -1.00 2.37 4.15 -1.27 0.62 115.11 119.66 3ihp h GLN 31 Ca -0.07 -0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.55 3ihp h GLN 31 Cb 1.25 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.81 3ihp h GLN 31 CO 0.09 0.07 0.61 -0.44 -1.93 0.00 0.00 178.83 177.24 3ihp h ASP 32 N 0.12 0.71 0.03 -0.69 3.32 -1.36 0.12 116.42 118.68 3ihp h ASP 32 Ca 0.27 0.09 -0.37 0.00 0.02 0.00 0.00 57.03 57.04 3ihp h ASP 32 Cb 0.41 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3ihp h ASP 32 CO -0.44 0.24 -2.08 1.17 -1.72 0.00 0.00 179.24 176.41 3ihp n LYS 33 N -4.74 0.64 -0.01 3.56 4.81 -0.65 -4.70 118.16 117.07 3ihp n LYS 33 Ca 0.23 0.32 0.07 0.00 -0.87 0.00 0.00 58.31 58.06 3ihp n LYS 33 Cb 0.62 -1.62 -0.12 0.00 0.02 0.00 0.00 35.03 33.94 3ihp n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3ihp n GLU 34 N -3.88 0.55 0.00 1.64 -0.58 0.21 -5.00 120.64 113.57 3ihp n GLU 34 Ca -0.42 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 3ihp n GLU 34 Cb 0.90 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 3ihp n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ihp n GLY 35 N 1.68 1.72 3.65 0.62 0.00 0.43 -4.99 105.19 108.29 3ihp n GLY 35 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3ihp n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ihp s ILE 36 N -2.34 3.03 0.23 -0.61 1.01 -1.26 -4.88 121.20 116.38 3ihp s ILE 36 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 3ihp s ILE 36 Cb 0.00 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 3ihp s ILE 36 CO 0.00 -0.01 1.68 -2.84 0.00 0.00 0.00 174.94 173.77 3ihp s PRO 37 N 4.72 4.13 0.43 2.79 0.02 -1.26 -3.60 135.00 142.23 3ihp s PRO 37 Ca 0.90 2.58 0.17 0.00 0.02 0.00 0.00 61.00 64.67 3ihp s PRO 37 Cb -0.41 -3.07 1.09 0.00 0.02 0.00 0.00 34.50 32.13 3ihp s PRO 37 CO 0.40 -0.71 1.89 -1.35 -0.33 0.00 0.00 177.00 176.90 3ihp h PRO 38 N 6.26 0.38 0.00 5.54 0.11 -1.92 0.14 132.00 142.51 3ihp h PRO 38 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ihp h PRO 38 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3ihp h PRO 38 CO 0.91 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 3ihp n ASP 39 N -4.48 0.17 -0.69 -2.05 5.75 -1.26 -2.12 116.55 111.87 3ihp n ASP 39 Ca 0.17 0.56 0.09 0.00 -0.01 0.00 0.00 54.79 55.59 3ihp n ASP 39 Cb 0.63 -0.59 0.07 0.00 -1.03 0.00 0.00 41.12 40.20 3ihp n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ihp n GLN 40 N -1.70 1.38 -3.38 0.11 1.13 0.03 -4.98 117.38 109.98 3ihp n GLN 40 Ca 0.02 -1.52 -0.38 0.00 -1.94 0.00 0.00 57.00 53.18 3ihp n GLN 40 Cb 0.11 -1.33 -0.06 0.00 0.11 0.00 0.00 30.24 29.07 3ihp n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ihp s GLN 41 N -1.43 4.28 -0.17 -1.09 -0.21 -0.90 -4.94 119.66 115.19 3ihp s GLN 41 Ca 0.20 0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.94 3ihp s GLN 41 Cb 0.14 -3.41 0.05 0.00 1.00 0.00 0.00 33.01 30.79 3ihp s GLN 41 CO 0.22 0.24 -0.01 0.50 -2.12 0.00 0.00 175.29 174.11 3ihp s ARG 42 N 0.39 1.06 -0.14 2.91 3.52 -1.25 -5.04 118.95 120.39 3ihp s ARG 42 Ca 0.24 -0.45 -0.06 0.00 -0.13 0.00 0.00 55.73 55.32 3ihp s ARG 42 Cb -0.15 -1.97 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 3ihp s ARG 42 CO 0.09 -0.51 0.08 -0.51 -0.81 0.00 0.00 175.30 173.64 3ihp s LEU 43 N 1.73 3.98 -0.09 -0.88 1.43 -1.26 -0.77 118.68 122.82 3ihp s LEU 43 Ca -0.00 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3ihp s LEU 43 Cb -0.16 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3ihp s LEU 43 CO -0.07 0.29 -0.20 -0.63 0.23 0.00 0.00 176.35 175.96 3ihp s ILE 44 N -0.32 1.78 -0.07 -0.59 1.09 0.25 -1.55 121.20 121.79 3ihp s ILE 44 Ca 0.09 -0.86 0.01 0.00 -1.10 0.00 0.00 60.65 58.79 3ihp s ILE 44 Cb -0.12 -1.56 0.02 0.00 -1.06 0.00 0.00 42.46 39.74 3ihp s ILE 44 CO 0.01 0.50 -0.07 0.12 -0.10 0.00 0.00 174.94 175.40 3ihp s PHE 45 N 0.45 1.17 -1.40 3.97 5.36 -0.69 -0.36 117.98 126.49 3ihp s PHE 45 Ca -0.17 -0.46 -0.08 0.00 -0.96 0.00 0.00 56.93 55.26 3ihp s PHE 45 Cb -0.17 -0.98 0.04 0.00 -0.34 0.00 0.00 43.02 41.57 3ihp s PHE 45 CO 0.07 -0.33 0.97 0.00 -1.46 0.00 0.00 175.22 174.47 3ihp n ALA 46 N 4.39 -1.55 -1.95 11.12 0.00 -1.26 -0.68 120.51 130.58 3ihp n ALA 46 Ca -0.18 0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 3ihp n ALA 46 Cb 0.51 -3.91 -0.02 0.00 0.00 0.00 0.00 19.45 16.03 3ihp n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ihp n GLY 47 N -1.68 0.36 2.83 0.00 0.00 -1.26 -5.01 105.19 100.42 3ihp n GLY 47 Ca -0.08 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 3ihp n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ihp s LYS 48 N -4.11 0.36 0.24 1.61 2.20 0.14 -5.13 119.74 115.06 3ihp s LYS 48 Ca 0.00 0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 3ihp s LYS 48 Cb 0.00 -0.51 -0.10 0.00 -1.51 0.00 0.00 37.83 35.71 3ihp s LYS 48 CO 0.00 -0.12 1.49 -0.65 -0.36 0.00 0.00 175.35 175.72 3ihp s GLN 49 N 0.94 4.23 -0.20 4.03 -0.21 -1.26 -1.70 119.66 125.49 3ihp s GLN 49 Ca -0.10 2.37 -0.13 0.00 0.02 0.00 0.00 55.36 57.52 3ihp s GLN 49 Cb -0.13 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.73 3ihp s GLN 49 CO -0.01 -0.50 0.27 -0.51 -2.12 0.00 0.00 175.29 172.42 3ihp s LEU 50 N -0.14 4.17 0.00 2.90 1.43 -0.60 -4.95 118.68 121.49 3ihp s LEU 50 Ca 0.62 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 3ihp s LEU 50 Cb -0.43 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 3ihp s LEU 50 CO 0.42 0.04 0.18 -1.61 0.23 0.00 0.00 176.35 175.61 3ihp s GLU 51 N 0.93 3.43 0.51 1.70 2.02 -1.26 -4.66 118.70 121.37 3ihp s GLU 51 Ca 0.14 -0.34 -0.23 0.00 0.02 0.00 0.00 54.97 54.56 3ihp s GLU 51 Cb -0.14 -3.08 -0.07 0.00 0.10 0.00 0.00 34.13 30.94 3ihp s GLU 51 CO 0.05 0.67 1.24 -0.25 0.02 0.00 0.00 175.26 176.98 3ihp n ASP 52 N 0.86 2.20 0.00 -0.19 10.43 -1.26 -2.85 116.55 125.74 3ihp n ASP 52 Ca -0.10 0.99 0.00 0.00 2.57 0.00 0.00 54.79 58.25 3ihp n ASP 52 Cb 0.52 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 41.98 3ihp n ASP 52 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ihp n GLY 53 N 0.90 0.72 3.38 0.44 0.00 -1.26 -5.02 105.19 104.35 3ihp n GLY 53 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3ihp n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ihp s ARG 54 N -0.38 1.38 0.56 1.61 0.52 -1.13 -5.01 118.95 116.50 3ihp s ARG 54 Ca 0.00 -1.35 0.03 0.00 -0.52 0.00 0.00 55.73 53.89 3ihp s ARG 54 Cb 0.00 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.69 3ihp s ARG 54 CO 0.00 0.43 0.78 0.95 0.02 0.00 0.00 175.30 177.48 3ihp s THR 55 N -1.14 2.58 0.28 0.02 -4.23 -1.26 -0.98 115.64 110.91 3ihp s THR 55 Ca 0.14 -0.74 0.19 0.00 -1.18 0.00 0.00 61.69 60.09 3ihp s THR 55 Cb -0.10 -2.84 0.15 0.00 1.34 0.00 0.00 72.50 71.05 3ihp s THR 55 CO 0.06 0.00 1.83 -0.07 -0.54 0.00 0.00 174.62 175.90 3ihp h LEU 56 N 0.07 0.00 -0.33 4.79 3.38 -1.08 -2.87 115.31 119.28 3ihp h LEU 56 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ihp h LEU 56 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3ihp h LEU 56 CO 0.48 0.33 0.00 0.77 0.09 0.00 0.00 178.44 180.10 3ihp h SER 57 N 0.00 0.00 0.15 -0.43 4.64 -1.26 -0.28 113.55 116.37 3ihp h SER 57 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3ihp h SER 57 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3ihp h SER 57 CO 0.04 0.00 -0.31 0.44 -0.87 0.00 0.00 176.83 176.13 3ihp h ASP 58 N 0.00 0.25 -0.06 4.97 3.45 -1.78 -2.83 116.42 120.42 3ihp h ASP 58 Ca 0.00 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.37 3ihp h ASP 58 Cb 0.84 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3ihp h ASP 58 CO 0.00 0.56 0.00 -1.22 -1.57 0.00 0.00 179.24 177.01 3ihp n TYR 59 N -4.11 0.05 -3.60 4.55 4.02 -0.98 -4.92 117.16 112.17 3ihp n TYR 59 Ca -0.01 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.90 57.63 3ihp n TYR 59 Cb 0.41 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.80 3ihp n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3ihp n ASN 60 N 0.67 -4.09 -4.63 7.72 5.15 -0.93 -4.94 115.26 114.21 3ihp n ASN 60 Ca 0.17 -0.63 -0.43 0.00 -0.60 0.00 0.00 54.58 53.09 3ihp n ASN 60 Cb 0.45 -4.79 -0.03 0.00 -0.53 0.00 0.00 39.78 34.88 3ihp n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ihp s ILE 61 N -3.37 4.63 0.45 -1.44 1.01 -0.16 -5.02 121.20 117.30 3ihp s ILE 61 Ca 0.33 1.56 0.08 0.00 0.00 0.00 0.00 60.65 62.62 3ihp s ILE 61 Cb -0.15 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 38.02 3ihp s ILE 61 CO 0.75 -0.36 0.49 -1.10 0.00 0.00 0.00 174.94 174.72 3ihp s GLN 62 N 3.35 2.55 0.20 2.79 -0.21 -1.26 -4.67 119.66 122.41 3ihp s GLN 62 Ca 0.40 -1.53 -0.31 0.00 0.02 0.00 0.00 55.36 53.94 3ihp s GLN 62 Cb -0.13 -2.48 -0.16 0.00 1.00 0.00 0.00 33.01 31.24 3ihp s GLN 62 CO 0.13 -0.36 1.03 0.36 -2.12 0.00 0.00 175.29 174.34 3ihp n LYS 63 N -1.75 0.98 -1.16 2.91 2.85 -1.26 -2.24 118.16 118.49 3ihp n LYS 63 Ca 0.06 0.35 -0.05 0.00 -1.05 0.00 0.00 58.31 57.61 3ihp n LYS 63 Cb 0.61 -1.74 -0.02 0.00 -0.65 0.00 0.00 35.03 33.23 3ihp n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3ihp n GLU 64 N 1.38 -0.71 -1.35 -1.58 1.02 0.25 -5.00 120.64 114.64 3ihp n GLU 64 Ca 0.14 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.52 3ihp n GLU 64 Cb 0.26 -4.36 0.10 0.00 -0.02 0.00 0.00 31.44 27.42 3ihp n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3ihp s SER 65 N -2.55 4.11 -0.20 1.62 0.01 -0.95 -4.71 113.70 111.03 3ihp s SER 65 Ca 0.00 2.29 -0.03 0.00 1.31 0.00 0.00 55.95 59.51 3ihp s SER 65 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 3ihp s SER 65 CO 0.00 -2.32 -0.05 -0.89 0.41 0.00 0.00 173.24 170.39 3ihp s THR 66 N -2.13 3.39 0.05 1.44 2.01 -1.26 -0.46 115.64 118.67 3ihp s THR 66 Ca 0.72 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.22 3ihp s THR 66 Cb -0.27 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 3ihp s THR 66 CO 0.47 0.44 0.20 -0.76 -0.69 0.00 0.00 174.62 174.29 3ihp s LEU 67 N 1.24 4.36 -0.07 4.42 1.43 0.05 -4.73 118.68 125.37 3ihp s LEU 67 Ca 0.03 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 3ihp s LEU 67 Cb -0.14 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 3ihp s LEU 67 CO -0.02 0.19 -0.19 -1.00 0.23 0.00 0.00 176.35 175.56 3ihp s HIS 68 N -1.47 2.61 0.03 0.29 3.76 0.51 -0.88 115.29 120.13 3ihp s HIS 68 Ca 0.33 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.54 3ihp s HIS 68 Cb -0.13 -1.66 -0.06 0.00 1.11 0.00 0.00 32.58 31.84 3ihp s HIS 68 CO 0.26 -0.08 0.54 -1.17 -0.85 0.00 0.00 174.74 173.44 3ihp s LEU 69 N -0.23 4.47 0.16 0.89 2.96 -0.97 0.86 118.68 126.82 3ihp s LEU 69 Ca -0.00 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 3ihp s LEU 69 Cb -0.13 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 3ihp s LEU 69 CO 0.03 0.22 -0.04 0.68 -1.32 0.00 0.00 176.35 175.92 3ihp s VAL 70 N -0.75 0.86 0.21 1.68 -7.23 0.05 -4.72 120.40 110.51 3ihp s VAL 70 Ca 0.28 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.56 3ihp s VAL 70 Cb -0.18 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3ihp s VAL 70 CO 0.17 -0.60 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.45 3ihp s LEU 71 N -3.17 2.78 0.05 1.32 1.02 -1.26 -3.86 118.68 115.57 3ihp s LEU 71 Ca 0.20 -0.74 -0.20 0.00 0.02 0.00 0.00 54.13 53.41 3ihp s LEU 71 Cb 0.05 -1.43 -0.06 0.00 0.02 0.00 0.00 46.19 44.76 3ihp s LEU 71 CO 0.02 0.09 0.57 -0.13 0.02 0.00 0.00 176.35 176.92 3ihp s ARG 72 N -3.00 4.23 -0.84 1.70 0.52 -1.26 -5.02 118.95 115.28 3ihp s ARG 72 Ca 0.25 0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 56.16 3ihp s ARG 72 Cb -0.08 -3.27 0.21 0.00 0.52 0.00 0.00 34.95 32.34 3ihp s ARG 72 CO 0.14 0.57 0.72 -0.51 0.02 0.00 0.00 175.30 176.24 3ihp s LEU 73 N -0.85 5.60 0.36 2.53 1.02 -1.26 -5.08 118.68 121.00 3ihp s LEU 73 Ca 0.29 -3.46 -0.28 0.00 0.02 0.00 0.00 54.13 50.71 3ihp s LEU 73 Cb -0.19 -1.93 -0.10 0.00 0.02 0.00 0.00 46.19 43.99 3ihp s LEU 73 CO 0.18 -0.26 1.33 -0.13 0.02 0.00 0.00 176.35 177.49 3ihp s ARG 74 N -0.96 4.21 0.00 1.70 0.52 -1.26 -5.38 118.95 117.78 3ihp s ARG 74 Ca 0.25 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.70 3ihp s ARG 74 Cb -0.11 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.40 3ihp s ARG 74 CO -0.10 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.31