#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hf5 s GLU 47 N 0.00 1.90 0.00 0.00 2.12 -1.26 -5.01 118.70 116.45 2hf5 s GLU 47 Ca 0.00 -1.13 0.11 0.00 0.36 0.00 0.00 54.97 54.31 2hf5 s GLU 47 Cb 0.00 -2.18 0.67 0.00 0.26 0.00 0.00 34.13 32.88 2hf5 s GLU 47 CO 0.00 0.49 1.21 1.28 -0.54 0.00 0.00 175.26 177.70 2hf5 n LEU 48 N 0.75 0.00 -0.29 2.70 4.32 -1.26 -3.77 117.00 119.45 2hf5 n LEU 48 Ca -0.15 0.00 0.17 0.00 -0.02 0.00 0.00 56.01 56.01 2hf5 n LEU 48 Cb 0.53 0.00 0.44 0.00 -1.62 0.00 0.00 43.42 42.76 2hf5 n LEU 48 CO 0.30 0.00 1.22 -0.61 -1.22 0.00 0.00 177.39 177.08 2hf5 h GLN 49 N 0.00 0.54 -0.18 3.23 4.15 -1.98 0.20 115.11 121.06 2hf5 h GLN 49 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2hf5 h GLN 49 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2hf5 h GLN 49 CO 0.00 0.35 0.11 -0.44 -1.93 0.00 0.00 178.83 176.92 2hf5 h ASP 50 N 0.55 0.21 -0.72 -0.69 3.32 -2.00 -1.46 116.42 115.63 2hf5 h ASP 50 Ca 0.51 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.57 2hf5 h ASP 50 Cb 1.06 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 2hf5 h ASP 50 CO -0.25 0.18 0.47 -0.03 -1.72 0.00 0.00 179.24 177.90 2hf5 h MET 51 N 0.22 0.80 -0.95 3.56 4.05 -1.15 -1.08 114.93 120.37 2hf5 h MET 51 Ca 0.06 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2hf5 h MET 51 Cb 0.01 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.58 2hf5 h MET 51 CO -0.01 0.53 0.58 0.82 0.23 0.00 0.00 176.91 179.06 2hf5 h ILE 52 N 0.82 1.26 0.00 1.77 2.04 0.01 0.06 117.51 123.47 2hf5 h ILE 52 Ca 0.30 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2hf5 h ILE 52 Cb 0.14 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2hf5 h ILE 52 CO -0.09 0.27 -0.39 0.78 0.00 0.00 0.00 178.15 178.72 2hf5 h ASN 53 N 1.31 0.00 0.08 1.72 -0.26 -0.23 -1.82 115.58 116.38 2hf5 h ASN 53 Ca 0.34 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.91 2hf5 h ASN 53 Cb -0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.18 2hf5 h ASN 53 CO -0.07 0.39 -0.88 -0.08 -1.06 0.00 0.00 177.43 175.73 2hf5 h GLU 54 N 0.00 0.16 0.03 0.81 4.22 -0.69 -3.37 114.58 115.74 2hf5 h GLU 54 Ca -0.00 -0.28 -0.22 0.00 0.08 0.00 0.00 59.36 58.94 2hf5 h GLU 54 Cb 1.11 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2hf5 h GLU 54 CO 0.05 1.13 -1.02 0.28 -2.18 0.00 0.00 179.01 177.28 2hf5 h VAL 55 N -0.60 1.63 -2.65 0.32 2.07 -1.07 -3.44 116.25 112.52 2hf5 h VAL 55 Ca -0.19 -3.19 -0.53 0.00 0.82 0.00 0.00 66.70 63.61 2hf5 h VAL 55 Cb 1.47 2.79 0.04 0.00 -1.52 0.00 0.00 31.29 34.07 2hf5 h VAL 55 CO 0.03 0.92 1.02 -0.62 0.02 0.00 0.00 177.57 178.94 2hf5 s ASP 56 N -6.84 6.48 -0.18 0.57 -1.08 -0.68 -4.88 116.67 110.05 2hf5 s ASP 56 Ca -0.01 2.71 0.17 0.00 -0.52 0.00 0.00 52.55 54.90 2hf5 s ASP 56 Cb 0.10 -2.58 -0.24 0.00 -1.46 0.00 0.00 42.92 38.73 2hf5 s ASP 56 CO 0.83 -0.94 0.14 0.00 0.52 0.00 0.00 175.17 175.72 2hf5 n ALA 57 N 4.92 1.49 0.27 3.66 0.00 -1.26 -4.46 120.51 125.13 2hf5 n ALA 57 Ca 0.16 -1.25 0.07 0.00 0.00 0.00 0.00 53.44 52.42 2hf5 n ALA 57 Cb 0.38 -0.27 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 2hf5 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hf5 n ASP 58 N -2.81 1.29 -0.11 0.00 5.68 -1.26 -5.00 116.55 114.34 2hf5 n ASP 58 Ca -0.31 -0.34 -0.01 0.00 -0.50 0.00 0.00 54.79 53.62 2hf5 n ASP 58 Cb 1.14 1.38 -0.01 0.00 -1.14 0.00 0.00 41.12 42.49 2hf5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hf5 n GLY 59 N 1.54 0.48 0.00 6.12 0.00 -1.26 -4.92 105.19 107.15 2hf5 n GLY 59 Ca -0.00 -1.02 0.15 0.00 0.00 0.00 0.00 46.02 45.14 2hf5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hf5 n ASN 60 N 1.78 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 119.45 2hf5 n ASN 60 Ca -0.01 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 54.02 2hf5 n ASN 60 Cb 0.06 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hf5 n GLY 61 N 1.11 0.68 3.82 4.83 0.00 -1.26 -5.02 105.19 109.35 2hf5 n GLY 61 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2hf5 n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hf5 s THR 62 N -2.17 0.00 -0.02 2.61 -1.32 -1.26 -4.83 115.64 108.66 2hf5 s THR 62 Ca 0.00 -0.96 -0.15 0.00 -1.21 0.00 0.00 61.69 59.37 2hf5 s THR 62 Cb 0.00 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.19 2hf5 s THR 62 CO 0.00 0.00 0.41 -0.63 -2.21 0.00 0.00 174.62 172.19 2hf5 s ILE 63 N -2.54 5.06 0.50 5.08 1.01 -0.37 -4.68 121.20 125.27 2hf5 s ILE 63 Ca 0.15 0.83 0.06 0.00 0.00 0.00 0.00 60.65 61.69 2hf5 s ILE 63 Cb -0.05 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.72 2hf5 s ILE 63 CO 0.10 0.55 0.33 -0.62 0.00 0.00 0.00 174.94 175.31 2hf5 s ASP 64 N -0.89 4.61 0.14 3.58 -1.08 -1.26 -2.65 116.67 119.12 2hf5 s ASP 64 Ca 0.23 -1.19 -0.21 0.00 -0.52 0.00 0.00 52.55 50.87 2hf5 s ASP 64 Cb -0.16 0.15 0.02 0.00 -1.46 0.00 0.00 42.92 41.46 2hf5 s ASP 64 CO 0.13 -0.94 1.66 -0.26 0.52 0.00 0.00 175.17 176.28 2hf5 h PHE 65 N 0.94 -0.41 -0.35 -5.34 -1.00 -1.99 0.31 116.94 109.11 2hf5 h PHE 65 Ca -0.39 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.46 2hf5 h PHE 65 Cb 1.29 0.22 -0.04 0.00 3.61 0.00 0.00 35.95 41.03 2hf5 h PHE 65 CO 0.90 -0.24 0.11 -1.00 -1.61 0.00 0.00 178.31 176.47 2hf5 h PRO 66 N -0.16 0.24 -0.06 1.51 0.13 -2.00 -2.32 132.00 129.34 2hf5 h PRO 66 Ca 0.13 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2hf5 h PRO 66 Cb 0.35 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 2hf5 h PRO 66 CO -0.32 0.16 0.04 0.93 -0.23 0.00 0.00 178.00 178.58 2hf5 h GLU 67 N 0.25 0.09 0.06 0.86 5.08 -1.82 -2.25 114.58 116.84 2hf5 h GLU 67 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2hf5 h GLU 67 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2hf5 h GLU 67 CO -0.17 0.13 -0.07 0.35 -1.00 0.00 0.00 179.01 178.25 2hf5 h PHE 68 N 0.02 -0.17 -0.53 4.33 3.57 -0.27 0.92 116.94 124.81 2hf5 h PHE 68 Ca 0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2hf5 h PHE 68 Cb 0.07 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2hf5 h PHE 68 CO -0.05 -0.11 0.24 -0.07 -2.23 0.00 0.00 178.31 176.09 2hf5 h LEU 69 N -0.15 0.71 -0.31 0.59 -0.00 -1.41 0.53 115.31 115.28 2hf5 h LEU 69 Ca 0.01 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.88 57.64 2hf5 h LEU 69 Cb 0.15 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 2hf5 h LEU 69 CO -0.02 0.66 -0.19 0.74 -0.00 0.00 0.00 178.44 179.63 2hf5 h THR 70 N 0.71 1.30 0.00 0.22 2.02 -1.22 -0.66 112.91 115.28 2hf5 h THR 70 Ca 0.18 -1.31 -0.10 0.00 0.77 0.00 0.00 66.41 65.95 2hf5 h THR 70 Cb 0.16 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2hf5 h THR 70 CO -0.02 0.42 -0.46 0.24 0.37 0.00 0.00 175.52 176.08 2hf5 h MET 71 N 0.42 0.00 0.03 6.66 2.86 -0.65 0.32 114.93 124.58 2hf5 h MET 71 Ca 0.06 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2hf5 h MET 71 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2hf5 h MET 71 CO 0.05 0.46 -0.01 1.98 1.06 0.00 0.00 176.91 180.45 2hf5 h MET 72 N 0.00 -0.04 0.00 1.72 -1.53 0.24 -3.26 114.93 112.06 2hf5 h MET 72 Ca -0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2hf5 h MET 72 Cb 0.87 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.93 2hf5 h MET 72 CO 0.06 -0.03 0.26 0.00 0.14 0.00 0.00 176.91 177.34 2hf5 n ALA 73 N -2.08 0.67 -0.27 0.39 0.00 -0.27 0.35 120.51 119.30 2hf5 n ALA 73 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2hf5 n ALA 73 Cb 0.02 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 18.70 2hf5 n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2hf5 h ARG 74 N 0.00 -0.04 0.00 0.00 2.43 -0.97 -3.35 114.38 112.46 2hf5 h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hf5 h ARG 74 Cb 0.52 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2hf5 h ARG 74 CO 0.00 -0.02 -0.50 1.63 -1.51 0.00 0.00 179.97 179.56 2hf5 n LYS 75 N -5.49 2.47 -1.62 0.20 4.76 -0.91 -5.08 118.16 112.49 2hf5 n LYS 75 Ca 0.09 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.45 2hf5 n LYS 75 Cb 0.39 -0.75 0.04 0.00 -1.84 0.00 0.00 35.03 32.87 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2hf5 n MET 76 N -1.02 0.57 -1.48 1.97 2.81 0.16 -5.03 117.12 115.09 2hf5 n MET 76 Ca 0.00 -1.21 -0.50 0.00 -1.81 0.00 0.00 57.70 54.18 2hf5 n MET 76 Cb 0.13 -0.19 -0.04 0.00 -0.71 0.00 0.00 33.22 32.41 2hf5 n MET 76 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2hf5 n LYS 77 N -1.65 0.45 -0.31 0.03 -0.00 -1.26 -3.76 118.16 111.66 2hf5 n LYS 77 Ca 0.07 0.16 0.08 0.00 -0.00 0.00 0.00 58.31 58.62 2hf5 n LYS 77 Cb 0.25 -1.41 0.23 0.00 -0.00 0.00 0.00 35.03 34.10 2hf5 n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2hf5 n ASP 78 N 1.79 2.94 -4.58 -5.58 2.03 -1.26 -2.92 116.55 108.98 2hf5 n ASP 78 Ca 0.16 -2.09 -0.44 0.00 0.52 0.00 0.00 54.79 52.94 2hf5 n ASP 78 Cb 0.23 -0.38 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 2hf5 n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hf5 n THR 79 N 0.92 0.34 -3.88 5.18 -1.04 -1.26 -4.91 114.28 109.63 2hf5 n THR 79 Ca 0.17 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 2hf5 n THR 79 Cb 0.49 -2.38 -0.12 0.00 -1.82 0.00 0.00 70.33 66.51 2hf5 n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hf5 s ASP 80 N 7.86 4.93 -0.33 8.00 2.15 -1.26 -4.96 116.67 133.06 2hf5 s ASP 80 Ca 1.02 -3.85 -0.04 0.00 0.43 0.00 0.00 52.55 50.10 2hf5 s ASP 80 Cb -0.44 -1.66 0.05 0.00 -0.30 0.00 0.00 42.92 40.57 2hf5 s ASP 80 CO 0.38 -0.09 0.07 -0.94 -0.17 0.00 0.00 175.17 174.43 2hf5 s SER 81 N -1.37 5.14 0.34 -0.34 1.04 -1.26 -5.01 113.70 112.24 2hf5 s SER 81 Ca 0.25 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.42 2hf5 s SER 81 Cb -0.05 -1.80 0.67 0.00 0.10 0.00 0.00 66.02 64.94 2hf5 s SER 81 CO -0.16 -0.33 1.95 -0.08 0.98 0.00 0.00 173.24 175.60 2hf5 h GLU 82 N 8.11 0.82 -0.50 4.02 4.81 -1.97 0.16 114.58 130.03 2hf5 h GLU 82 Ca -0.21 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2hf5 h GLU 82 Cb 1.07 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2hf5 h GLU 82 CO 0.59 0.54 0.08 0.93 -0.73 0.00 0.00 179.01 180.42 2hf5 h GLU 83 N 0.84 0.82 -0.36 1.92 5.08 -1.98 0.56 114.58 121.47 2hf5 h GLU 83 Ca 0.32 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 2hf5 h GLU 83 Cb 0.20 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2hf5 h GLU 83 CO -0.11 0.82 -0.37 0.93 -1.00 0.00 0.00 179.01 179.29 2hf5 h GLU 84 N 0.70 0.84 -0.59 2.33 4.39 -1.55 -0.37 114.58 120.32 2hf5 h GLU 84 Ca 0.15 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2hf5 h GLU 84 Cb 0.39 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2hf5 h GLU 84 CO 0.01 1.07 0.25 0.82 -1.16 0.00 0.00 179.01 179.99 2hf5 h ILE 85 N 0.70 1.22 -0.47 3.13 1.08 -0.48 -1.15 117.51 121.53 2hf5 h ILE 85 Ca 0.06 -0.69 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 2hf5 h ILE 85 Cb 0.93 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2hf5 h ILE 85 CO 0.09 0.27 0.08 0.03 -0.69 0.00 0.00 178.15 177.93 2hf5 h ARG 86 N 0.82 0.73 -0.68 2.37 3.08 0.41 0.26 114.38 121.35 2hf5 h ARG 86 Ca 0.20 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2hf5 h ARG 86 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2hf5 h ARG 86 CO -0.02 0.69 0.31 1.49 -1.07 0.00 0.00 179.97 181.36 2hf5 h GLU 87 N 0.70 1.00 -0.33 0.04 4.81 -0.65 -1.53 114.58 118.61 2hf5 h GLU 87 Ca 0.15 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2hf5 h GLU 87 Cb 0.32 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2hf5 h GLU 87 CO 0.00 0.81 -0.22 0.00 -0.73 0.00 0.00 179.01 178.88 2hf5 h ALA 88 N 1.14 0.47 -0.72 2.92 0.00 -0.46 -1.63 119.26 120.99 2hf5 h ALA 88 Ca 0.23 -0.37 0.16 0.00 0.00 0.00 0.00 54.91 54.93 2hf5 h ALA 88 Cb 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2hf5 h ALA 88 CO -0.02 0.43 0.49 0.74 0.00 0.00 0.00 179.25 180.88 2hf5 h PHE 89 N 0.49 0.34 0.07 0.00 -1.00 -0.20 0.99 116.94 117.63 2hf5 h PHE 89 Ca 0.07 0.01 -0.26 0.00 2.81 0.00 0.00 57.97 60.60 2hf5 h PHE 89 Cb 0.77 -0.11 0.01 0.00 3.61 0.00 0.00 35.95 40.23 2hf5 h PHE 89 CO 0.06 0.13 -1.11 0.00 -1.61 0.00 0.00 178.31 175.78 2hf5 h ARG 90 N 0.29 0.43 0.00 1.51 3.08 -0.89 -3.30 114.38 115.49 2hf5 h ARG 90 Ca 0.35 -0.56 -0.27 0.00 0.07 0.00 0.00 59.98 59.58 2hf5 h ARG 90 Cb 0.96 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 2hf5 h ARG 90 CO -0.09 1.21 -1.54 -0.24 -1.07 0.00 0.00 179.97 178.24 2hf5 h VAL 91 N 0.20 1.00 -0.19 2.04 3.04 -0.20 -3.31 116.25 118.84 2hf5 h VAL 91 Ca -0.12 -2.81 0.00 0.00 -1.01 0.00 0.00 66.70 62.76 2hf5 h VAL 91 Cb 1.78 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 33.54 2hf5 h VAL 91 CO 0.20 0.57 0.00 0.49 -1.01 0.00 0.00 177.57 177.81 2hf5 n PHE 92 N -3.10 0.36 -4.11 3.17 3.01 0.33 -4.62 117.46 112.50 2hf5 n PHE 92 Ca -0.13 -0.15 -0.15 0.00 1.01 0.00 0.00 57.45 58.03 2hf5 n PHE 92 Cb 1.02 -0.07 -0.11 0.00 -0.01 0.00 0.00 39.48 40.30 2hf5 n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2hf5 s ASP 93 N -0.74 1.17 0.07 4.37 -1.08 -1.24 -3.75 116.67 115.47 2hf5 s ASP 93 Ca 0.14 -0.62 -0.15 0.00 -0.52 0.00 0.00 52.55 51.39 2hf5 s ASP 93 Cb 0.08 0.01 -0.16 0.00 -1.46 0.00 0.00 42.92 41.39 2hf5 s ASP 93 CO 0.08 -0.19 1.28 0.11 0.52 0.00 0.00 175.17 176.97 2hf5 h LYS 94 N 4.26 0.66 -0.02 4.34 1.57 -1.86 -3.28 116.57 122.24 2hf5 h LYS 94 Ca -0.37 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 57.89 2hf5 h LYS 94 Cb 1.20 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2hf5 h LYS 94 CO 0.43 1.14 -0.27 -0.25 -0.57 0.00 0.00 179.45 179.93 2hf5 n ASP 95 N -4.11 1.92 -2.63 0.86 9.92 -1.26 -4.94 116.55 116.31 2hf5 n ASP 95 Ca -0.07 -1.46 -0.11 0.00 -0.53 0.00 0.00 54.79 52.62 2hf5 n ASP 95 Cb 0.65 0.24 -0.01 0.00 -0.64 0.00 0.00 41.12 41.36 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hf5 n GLY 96 N 1.36 -0.50 0.65 0.44 0.00 -1.24 -4.82 105.19 101.08 2hf5 n GLY 96 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2hf5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hf5 n ASN 97 N -1.80 1.34 -0.58 1.61 6.94 -1.26 -4.72 115.26 116.79 2hf5 n ASN 97 Ca -0.08 -1.68 -0.07 0.00 -0.02 0.00 0.00 54.58 52.73 2hf5 n ASN 97 Cb 0.57 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.54 2hf5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hf5 n GLY 98 N 0.23 0.82 3.19 4.83 0.00 -1.26 -5.00 105.19 108.00 2hf5 n GLY 98 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2hf5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hf5 s TYR 99 N -2.28 -0.15 -0.39 1.61 2.02 -1.26 -4.84 117.35 112.07 2hf5 s TYR 99 Ca 0.00 0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.93 2hf5 s TYR 99 Cb 0.00 0.06 0.09 0.00 -0.40 0.00 0.00 41.96 41.71 2hf5 s TYR 99 CO 0.00 -0.31 0.17 0.42 -1.57 0.00 0.00 175.55 174.26 2hf5 s ILE 100 N -1.02 3.44 0.41 2.71 1.01 -1.09 -4.68 121.20 121.98 2hf5 s ILE 100 Ca -0.11 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 58.82 2hf5 s ILE 100 Cb -0.05 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2hf5 s ILE 100 CO 0.03 -0.51 0.60 -0.44 0.00 0.00 0.00 174.94 174.62 2hf5 s SER 101 N 1.76 5.92 0.09 3.58 0.01 -1.26 -1.24 113.70 122.55 2hf5 s SER 101 Ca 0.04 0.18 -0.29 0.00 1.31 0.00 0.00 55.95 57.19 2hf5 s SER 101 Cb -0.22 -1.51 -0.14 0.00 0.21 0.00 0.00 66.02 64.36 2hf5 s SER 101 CO -0.02 -0.59 1.66 0.00 0.41 0.00 0.00 173.24 174.70 2hf5 h ALA 102 N 0.57 -0.54 -0.38 1.44 0.00 -1.90 -0.66 119.26 117.78 2hf5 h ALA 102 Ca -0.46 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.46 2hf5 h ALA 102 Cb 1.25 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 2hf5 h ALA 102 CO 0.57 -0.82 0.41 0.00 0.00 0.00 0.00 179.25 179.40 2hf5 h ALA 103 N 0.07 2.08 -0.06 0.00 0.00 -1.96 0.11 119.26 119.50 2hf5 h ALA 103 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2hf5 h ALA 103 Cb 0.47 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2hf5 h ALA 103 CO 0.01 -0.61 -0.80 0.93 0.00 0.00 0.00 179.25 178.79 2hf5 h GLU 104 N 0.00 0.41 -0.80 0.00 4.39 -1.40 -2.28 114.58 114.91 2hf5 h GLU 104 Ca 0.18 -0.37 0.08 0.00 0.34 0.00 0.00 59.36 59.59 2hf5 h GLU 104 Cb 1.00 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.67 2hf5 h GLU 104 CO -0.00 1.02 0.46 -0.07 -1.16 0.00 0.00 179.01 179.26 2hf5 h LEU 105 N 0.27 0.68 -0.37 1.33 -0.00 -0.10 -0.55 115.31 116.57 2hf5 h LEU 105 Ca -0.05 0.04 -0.19 0.00 -0.00 0.00 0.00 57.88 57.69 2hf5 h LEU 105 Cb 1.39 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.96 2hf5 h LEU 105 CO 0.14 0.41 -0.68 0.08 -0.00 0.00 0.00 178.44 178.38 2hf5 h ARG 106 N 0.80 0.57 -0.32 1.13 0.11 -1.38 0.56 114.38 115.85 2hf5 h ARG 106 Ca 0.37 -0.43 0.06 0.00 0.10 0.00 0.00 59.98 60.09 2hf5 h ARG 106 Cb 0.29 0.08 -0.06 0.00 1.11 0.00 0.00 29.97 31.39 2hf5 h ARG 106 CO -0.22 1.05 -0.06 1.25 0.10 0.00 0.00 179.97 182.09 2hf5 h HIS 107 N 0.40 -0.12 0.00 4.08 2.76 -0.77 -1.26 115.15 120.24 2hf5 h HIS 107 Ca -0.02 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.05 2hf5 h HIS 107 Cb 1.27 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.31 2hf5 h HIS 107 CO 0.06 -0.12 -0.71 -0.24 -1.30 0.00 0.00 177.93 175.62 2hf5 h VAL 108 N 0.03 1.21 0.00 5.26 3.04 -0.92 -3.29 116.25 121.57 2hf5 h VAL 108 Ca 0.16 -2.18 0.00 0.00 -1.01 0.00 0.00 66.70 63.67 2hf5 h VAL 108 Cb 0.23 2.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 2hf5 h VAL 108 CO -0.31 0.41 0.00 0.80 -1.01 0.00 0.00 177.57 177.46 2hf5 n MET 109 N -4.52 0.00 0.00 4.17 0.00 0.19 -4.84 117.12 112.12 2hf5 n MET 109 Ca -0.22 0.37 0.00 0.00 0.00 0.00 0.00 57.70 57.85 2hf5 n MET 109 Cb 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 32.62 2hf5 n MET 109 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2hf5 n THR 110 N -1.61 0.00 -0.63 1.12 -2.24 -1.25 -5.07 114.28 104.61 2hf5 n THR 110 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hf5 n THR 110 Cb 0.00 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2hf5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hf5 n ASN 111 N -1.98 -0.41 -4.67 3.42 5.03 -0.47 -4.88 115.26 111.29 2hf5 n ASN 111 Ca 0.00 -0.63 -0.55 0.00 0.87 0.00 0.00 54.58 54.26 2hf5 n ASN 111 Cb 0.21 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.90 2hf5 n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2hf5 n LEU 112 N 0.00 2.17 0.00 3.41 4.77 -1.24 -4.51 117.00 121.59 2hf5 n LEU 112 Ca 0.00 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 2hf5 n LEU 112 Cb 0.00 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2hf5 n LEU 112 CO 0.00 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.04