#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 0.85 0.19 0.00 2.02 -1.26 -5.08 118.70 115.42 2hf5 s GLU 47 Ca 0.00 -1.18 0.04 0.00 0.02 0.00 0.00 54.97 53.85 2hf5 s GLU 47 Cb 0.00 -0.50 0.07 0.00 0.10 0.00 0.00 34.13 33.80 2hf5 s GLU 47 CO 0.00 0.07 1.43 -0.07 0.02 0.00 0.00 175.26 176.72 2hf5 h LEU 48 N 3.50 0.22 -0.97 1.80 -0.00 -2.00 -3.13 115.31 114.73 2hf5 h LEU 48 Ca -0.37 -0.17 -0.11 0.00 -0.00 0.00 0.00 57.88 57.24 2hf5 h LEU 48 Cb 1.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2hf5 h LEU 48 CO 0.54 0.93 -0.43 -0.61 -0.00 0.00 0.00 178.44 178.87 2hf5 h GLN 49 N 0.11 0.18 0.10 1.13 4.15 -1.99 -1.41 115.11 117.38 2hf5 h GLN 49 Ca -0.03 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 2hf5 h GLN 49 Cb 1.39 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.08 2hf5 h GLN 49 CO 0.12 0.58 -0.05 -0.44 -1.93 0.00 0.00 178.83 177.11 2hf5 h ASP 50 N 0.15 -0.12 0.09 -0.69 5.19 -1.98 -0.68 116.42 118.38 2hf5 h ASP 50 Ca 0.01 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2hf5 h ASP 50 Cb 0.83 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.36 2hf5 h ASP 50 CO 0.06 -0.07 -0.15 -0.03 -3.12 0.00 0.00 179.24 175.93 2hf5 h MET 51 N -0.16 0.14 -0.53 3.56 4.05 -1.56 -1.11 114.93 119.31 2hf5 h MET 51 Ca -0.01 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2hf5 h MET 51 Cb 0.12 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 2hf5 h MET 51 CO 0.02 0.30 0.33 0.82 0.23 0.00 0.00 176.91 178.61 2hf5 h ILE 52 N 0.13 1.16 0.00 1.77 2.04 -0.68 -2.88 117.51 119.05 2hf5 h ILE 52 Ca 0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 2hf5 h ILE 52 Cb 0.36 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2hf5 h ILE 52 CO 0.02 0.16 -0.19 0.78 0.00 0.00 0.00 178.15 178.93 2hf5 h ASN 53 N 0.72 0.00 1.48 1.72 -0.26 0.10 0.14 115.58 119.47 2hf5 h ASN 53 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 2hf5 h ASN 53 Cb -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2hf5 h ASN 53 CO -0.04 0.19 -0.02 -0.33 -1.06 0.00 0.00 177.43 176.17 2hf5 h GLU 54 N 0.00 0.00 0.00 0.81 5.08 -1.18 -3.37 114.58 115.92 2hf5 h GLU 54 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2hf5 h GLU 54 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2hf5 h GLU 54 CO 0.02 0.00 -1.58 0.28 -1.00 0.00 0.00 179.01 176.73 2hf5 n VAL 55 N -2.30 0.58 -2.16 3.13 0.31 -0.46 -4.86 118.33 112.58 2hf5 n VAL 55 Ca 0.05 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.77 2hf5 n VAL 55 Cb 0.44 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.51 2hf5 n VAL 55 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2hf5 s ASP 56 N -4.35 5.41 0.32 4.52 -4.77 0.35 -4.72 116.67 113.43 2hf5 s ASP 56 Ca -0.07 -1.14 0.11 0.00 -3.30 0.00 0.00 52.55 48.14 2hf5 s ASP 56 Cb 0.03 -2.57 0.53 0.00 -1.09 0.00 0.00 42.92 39.82 2hf5 s ASP 56 CO 0.31 -2.55 1.72 0.00 0.70 0.00 0.00 175.17 175.35 2hf5 h ALA 57 N 10.46 1.18 0.00 2.11 0.00 -1.89 -2.20 119.26 128.93 2hf5 h ALA 57 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2hf5 h ALA 57 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2hf5 h ALA 57 CO 1.26 0.60 -0.00 -0.44 0.00 0.00 0.00 179.25 180.67 2hf5 h ASP 58 N 0.04 0.00 -0.13 0.00 3.32 -1.87 -3.46 116.42 114.32 2hf5 h ASP 58 Ca -0.00 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2hf5 h ASP 58 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2hf5 h ASP 58 CO 0.06 0.00 -0.05 0.61 -1.72 0.00 0.00 179.24 178.14 2hf5 n GLY 59 N 1.22 0.60 0.40 2.75 0.00 -0.83 -4.91 105.19 104.42 2hf5 n GLY 59 Ca 0.05 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 0.85 1.25 0.00 1.61 6.94 -1.26 -4.91 115.26 119.74 2hf5 n ASN 60 Ca -0.03 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 2hf5 n ASN 60 Cb 0.12 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 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 1.13 0.47 3.49 4.83 0.00 -1.26 -4.99 105.19 108.86 2hf5 n GLY 61 Ca 0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 0.01 0.27 2.61 -1.32 -1.26 -4.80 115.64 109.15 2hf5 s THR 62 Ca 0.00 -0.07 -0.29 0.00 -1.21 0.00 0.00 61.69 60.12 2hf5 s THR 62 Cb 0.00 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 69.98 2hf5 s THR 62 CO 0.00 -0.04 1.00 -0.51 -2.21 0.00 0.00 174.62 172.86 2hf5 s ILE 63 N -0.84 3.87 0.46 5.08 2.07 0.02 -4.71 121.20 127.16 2hf5 s ILE 63 Ca -0.09 1.82 0.06 0.00 -1.41 0.00 0.00 60.65 61.03 2hf5 s ILE 63 Cb -0.02 -4.13 -0.02 0.00 0.13 0.00 0.00 42.46 38.42 2hf5 s ILE 63 CO 0.07 0.39 0.22 -1.81 -1.91 0.00 0.00 174.94 171.90 2hf5 s ASP 64 N -1.15 4.47 0.18 4.50 1.11 -1.26 -2.58 116.67 121.93 2hf5 s ASP 64 Ca 0.44 -1.19 -0.15 0.00 0.18 0.00 0.00 52.55 51.84 2hf5 s ASP 64 Cb -0.27 -0.11 0.15 0.00 1.07 0.00 0.00 42.92 43.76 2hf5 s ASP 64 CO 0.34 -0.74 1.69 -0.26 1.18 0.00 0.00 175.17 177.38 2hf5 h PHE 65 N 1.22 0.00 0.00 4.23 -1.00 -1.97 0.18 116.94 119.60 2hf5 h PHE 65 Ca -0.41 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.43 2hf5 h PHE 65 Cb 1.27 0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.86 2hf5 h PHE 65 CO 0.84 -0.08 -0.24 -1.35 -1.61 0.00 0.00 178.31 175.87 2hf5 h PRO 66 N 0.13 -0.37 0.25 1.51 0.11 -1.99 -2.30 132.00 129.34 2hf5 h PRO 66 Ca 0.22 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 2hf5 h PRO 66 Cb 0.32 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.52 2hf5 h PRO 66 CO -0.36 -0.24 -0.12 0.93 -0.21 0.00 0.00 178.00 178.00 2hf5 h GLU 67 N -0.38 -0.32 -0.30 1.05 5.08 -1.82 -0.89 114.58 116.99 2hf5 h GLU 67 Ca 0.06 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2hf5 h GLU 67 Cb 0.46 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2hf5 h GLU 67 CO -0.22 -0.21 0.18 0.35 -1.00 0.00 0.00 179.01 178.11 2hf5 h PHE 68 N -0.34 0.33 -0.29 4.33 3.57 -0.63 0.53 116.94 124.44 2hf5 h PHE 68 Ca -0.03 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2hf5 h PHE 68 Cb 0.26 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2hf5 h PHE 68 CO -0.06 0.20 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.13 2hf5 h LEU 69 N 0.37 0.51 -0.12 0.59 3.38 -1.41 -1.66 115.31 116.97 2hf5 h LEU 69 Ca 0.12 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2hf5 h LEU 69 Cb -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2hf5 h LEU 69 CO -0.05 0.71 -0.15 0.74 0.09 0.00 0.00 178.44 179.77 2hf5 h THR 70 N 0.30 1.37 0.00 0.22 2.02 -0.72 0.23 112.91 116.33 2hf5 h THR 70 Ca 0.08 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 2hf5 h THR 70 Cb 0.46 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2hf5 h THR 70 CO 0.02 0.39 -0.04 0.24 0.37 0.00 0.00 175.52 176.50 2hf5 h MET 71 N -0.11 0.00 0.00 6.66 2.86 -0.01 0.78 114.93 125.12 2hf5 h MET 71 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2hf5 h MET 71 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2hf5 h MET 71 CO 0.04 0.04 -0.00 1.98 1.06 0.00 0.00 176.91 180.03 2hf5 h MET 72 N 0.00 -0.00 0.00 1.72 -1.53 -1.05 -3.30 114.93 110.76 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 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 2hf5 h MET 72 CO 0.01 -0.00 0.19 0.00 0.14 0.00 0.00 176.91 177.24 2hf5 h ALA 73 N -2.00 1.14 -0.99 0.39 0.00 -0.73 0.13 119.26 117.19 2hf5 h ALA 73 Ca -0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2hf5 h ALA 73 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.61 2hf5 h ALA 73 CO 0.00 -0.14 -0.07 -0.09 0.00 0.00 0.00 179.25 178.96 2hf5 h ARG 74 N 0.00 0.00 0.00 0.00 2.43 0.52 -3.36 114.38 113.98 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 0.38 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2hf5 h ARG 74 CO 0.00 0.00 -0.42 0.36 -1.51 0.00 0.00 179.97 178.41 2hf5 n LYS 75 N -5.54 0.45 -3.80 0.20 2.85 -0.84 -5.07 118.16 106.42 2hf5 n LYS 75 Ca 0.21 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.10 2hf5 n LYS 75 Cb 0.67 -0.71 -0.13 0.00 -0.65 0.00 0.00 35.03 34.21 2hf5 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2hf5 s MET 76 N -1.42 2.82 -0.23 -1.58 0.23 0.38 -5.06 119.30 114.45 2hf5 s MET 76 Ca 0.00 -1.03 -0.02 0.00 -1.03 0.00 0.00 55.69 53.61 2hf5 s MET 76 Cb 0.00 -3.32 0.01 0.00 -1.53 0.00 0.00 34.83 29.99 2hf5 s MET 76 CO 0.00 -0.53 -0.07 0.21 -2.03 0.00 0.00 175.02 172.60 2hf5 s LYS 77 N 1.41 3.07 0.00 3.16 2.47 -1.26 -2.69 119.74 125.90 2hf5 s LYS 77 Ca -0.00 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 53.59 2hf5 s LYS 77 Cb -0.18 -2.96 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 2hf5 s LYS 77 CO 0.01 -0.30 0.00 -3.47 0.16 0.00 0.00 175.35 171.75 2hf5 n ASP 78 N 4.72 0.00 -4.72 1.43 2.03 -1.26 -5.09 116.55 113.66 2hf5 n ASP 78 Ca -0.18 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.84 2hf5 n ASP 78 Cb 0.49 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.03 2hf5 n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2hf5 s THR 79 N 0.00 2.49 0.00 5.18 -4.23 -1.26 -5.08 115.64 112.75 2hf5 s THR 79 Ca 0.00 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2hf5 s THR 79 Cb 0.00 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2hf5 s THR 79 CO 0.00 -0.21 0.00 0.47 -0.54 0.00 0.00 174.62 174.34 2hf5 n ASP 80 N -3.92 0.00 -4.73 3.99 8.00 -1.26 -5.04 116.55 113.59 2hf5 n ASP 80 Ca 0.06 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.26 2hf5 n ASP 80 Cb 0.56 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.78 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2hf5 s SER 81 N -1.00 3.82 0.46 -2.24 1.04 -1.26 -4.82 113.70 109.70 2hf5 s SER 81 Ca 0.00 1.79 0.14 0.00 0.48 0.00 0.00 55.95 58.37 2hf5 s SER 81 Cb 0.00 -2.43 1.10 0.00 0.10 0.00 0.00 66.02 64.78 2hf5 s SER 81 CO 0.00 -2.47 2.04 -0.08 0.98 0.00 0.00 173.24 173.72 2hf5 h GLU 82 N -1.43 0.28 -0.63 4.02 4.81 -1.99 -0.87 114.58 118.76 2hf5 h GLU 82 Ca -0.46 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2hf5 h GLU 82 Cb 1.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2hf5 h GLU 82 CO 0.50 0.19 0.20 0.93 -0.73 0.00 0.00 179.01 180.10 2hf5 h GLU 83 N 0.29 0.96 -0.18 1.92 5.08 -2.00 -0.35 114.58 120.30 2hf5 h GLU 83 Ca 0.17 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2hf5 h GLU 83 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2hf5 h GLU 83 CO -0.04 0.82 -0.08 0.93 -1.00 0.00 0.00 179.01 179.65 2hf5 h GLU 84 N 0.93 0.27 -0.34 2.33 4.39 -1.51 -1.47 114.58 119.18 2hf5 h GLU 84 Ca 0.21 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 2hf5 h GLU 84 Cb 0.26 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2hf5 h GLU 84 CO -0.01 0.37 -0.19 0.82 -1.16 0.00 0.00 179.01 178.84 2hf5 h ILE 85 N 0.26 1.26 -0.37 3.13 1.08 -0.60 0.11 117.51 122.38 2hf5 h ILE 85 Ca 0.06 -1.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.28 2hf5 h ILE 85 Cb 0.31 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.26 2hf5 h ILE 85 CO 0.02 0.40 0.15 0.03 -0.69 0.00 0.00 178.15 178.06 2hf5 h ARG 86 N 0.56 0.55 0.00 2.37 3.08 -0.13 0.36 114.38 121.18 2hf5 h ARG 86 Ca 0.09 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 2hf5 h ARG 86 Cb 0.64 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2hf5 h ARG 86 CO 0.05 0.53 -0.27 0.93 -1.07 0.00 0.00 179.97 180.13 2hf5 h GLU 87 N 0.46 0.00 -0.37 0.04 4.39 -1.19 -2.37 114.58 115.54 2hf5 h GLU 87 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2hf5 h GLU 87 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2hf5 h GLU 87 CO -0.01 0.27 -0.16 0.00 -1.16 0.00 0.00 179.01 177.96 2hf5 h ALA 88 N 1.73 0.52 -0.67 3.43 0.00 0.04 0.88 119.26 125.18 2hf5 h ALA 88 Ca -0.00 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.62 2hf5 h ALA 88 Cb 0.67 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2hf5 h ALA 88 CO 0.04 0.43 0.44 0.74 0.00 0.00 0.00 179.25 180.90 2hf5 h PHE 89 N 0.55 0.69 0.00 0.00 -1.00 -0.46 0.88 116.94 117.59 2hf5 h PHE 89 Ca 0.08 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.69 2hf5 h PHE 89 Cb 0.70 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 2hf5 h PHE 89 CO 0.06 0.37 -0.86 -0.09 -1.61 0.00 0.00 178.31 176.18 2hf5 h ARG 90 N 0.68 0.12 0.14 1.51 2.43 -1.08 -3.26 114.38 114.92 2hf5 h ARG 90 Ca 0.29 -0.13 -0.25 0.00 -0.81 0.00 0.00 59.98 59.07 2hf5 h ARG 90 Cb 0.26 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2hf5 h ARG 90 CO -0.09 0.90 -1.22 0.28 -1.51 0.00 0.00 179.97 178.33 2hf5 h VAL 91 N 0.06 1.22 0.00 0.20 2.07 0.14 -3.33 116.25 116.61 2hf5 h VAL 91 Ca -0.03 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.01 2hf5 h VAL 91 Cb 1.49 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 2hf5 h VAL 91 CO 0.12 0.73 0.00 0.49 0.02 0.00 0.00 177.57 178.93 2hf5 n PHE 92 N -3.96 0.00 -4.34 1.57 3.72 0.30 -4.63 117.46 110.12 2hf5 n PHE 92 Ca -0.20 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.01 2hf5 n PHE 92 Cb 0.90 -0.05 -0.14 0.00 -0.94 0.00 0.00 39.48 39.25 2hf5 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2hf5 s ASP 93 N -0.56 1.23 0.16 4.37 -1.08 -1.23 -2.97 116.67 116.59 2hf5 s ASP 93 Ca 0.00 -0.30 0.24 0.00 -0.52 0.00 0.00 52.55 51.97 2hf5 s ASP 93 Cb 0.00 -0.10 0.33 0.00 -1.46 0.00 0.00 42.92 41.69 2hf5 s ASP 93 CO 0.00 0.05 1.33 0.07 0.52 0.00 0.00 175.17 177.15 2hf5 h LYS 94 N 5.46 0.00 -0.01 4.34 2.10 -1.82 -3.25 116.57 123.39 2hf5 h LYS 94 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2hf5 h LYS 94 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2hf5 h LYS 94 CO 0.47 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.52 2hf5 n ASP 95 N -2.28 1.35 -4.22 7.07 5.68 -1.26 -5.03 116.55 117.86 2hf5 n ASP 95 Ca 0.03 -1.25 -0.35 0.00 -0.50 0.00 0.00 54.79 52.72 2hf5 n ASP 95 Cb 0.46 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hf5 n GLY 96 N 0.03 -0.40 0.43 6.12 0.00 -1.23 -4.83 105.19 105.31 2hf5 n GLY 96 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.69 0.75 -0.44 1.61 6.94 -1.26 -4.77 115.26 115.39 2hf5 n ASN 97 Ca 0.02 -1.73 -0.05 0.00 -0.02 0.00 0.00 54.58 52.79 2hf5 n ASN 97 Cb 0.52 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.55 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 0.11 0.70 3.27 4.83 0.00 -1.26 -5.01 105.19 107.82 2hf5 n GLY 98 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.21 -0.38 -0.37 1.61 2.02 -1.26 -4.83 117.35 111.94 2hf5 s TYR 99 Ca 0.00 0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 57.52 2hf5 s TYR 99 Cb 0.00 0.14 0.07 0.00 -0.40 0.00 0.00 41.96 41.77 2hf5 s TYR 99 CO 0.00 -0.24 0.15 0.42 -1.57 0.00 0.00 175.55 174.31 2hf5 s ILE 100 N -0.10 3.64 0.44 2.71 1.01 -1.06 -4.74 121.20 123.10 2hf5 s ILE 100 Ca -0.03 -1.49 0.07 0.00 0.00 0.00 0.00 60.65 59.21 2hf5 s ILE 100 Cb -0.03 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2hf5 s ILE 100 CO 0.01 -0.39 0.35 -0.55 0.00 0.00 0.00 174.94 174.37 2hf5 s SER 101 N 1.69 4.84 0.09 3.58 0.15 -1.26 -0.80 113.70 122.00 2hf5 s SER 101 Ca 0.01 -0.91 -0.28 0.00 0.70 0.00 0.00 55.95 55.47 2hf5 s SER 101 Cb -0.21 -0.36 -0.13 0.00 -1.71 0.00 0.00 66.02 63.61 2hf5 s SER 101 CO 0.00 -0.73 1.65 0.00 1.20 0.00 0.00 173.24 175.37 2hf5 h ALA 102 N 1.04 -0.51 -0.68 5.45 0.00 -1.86 0.65 119.26 123.36 2hf5 h ALA 102 Ca -0.41 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.56 2hf5 h ALA 102 Cb 1.27 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 2hf5 h ALA 102 CO 0.60 -0.81 0.15 0.00 0.00 0.00 0.00 179.25 179.19 2hf5 h ALA 103 N 0.13 0.84 0.17 0.00 0.00 -1.97 0.29 119.26 118.72 2hf5 h ALA 103 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2hf5 h ALA 103 Cb 0.47 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2hf5 h ALA 103 CO -0.02 -0.32 -0.08 0.93 0.00 0.00 0.00 179.25 179.76 2hf5 h GLU 104 N 0.27 -0.22 -0.71 0.00 4.39 -1.70 -1.74 114.58 114.87 2hf5 h GLU 104 Ca 0.37 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.12 2hf5 h GLU 104 Cb 0.59 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.24 2hf5 h GLU 104 CO -0.46 -0.10 0.44 1.25 -1.16 0.00 0.00 179.01 178.98 2hf5 h LEU 105 N -0.29 0.71 0.06 1.33 5.85 0.15 -1.99 115.31 121.13 2hf5 h LEU 105 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2hf5 h LEU 105 Cb 0.23 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.12 2hf5 h LEU 105 CO 0.04 0.49 -0.61 0.03 -0.34 0.00 0.00 178.44 178.05 2hf5 h ARG 106 N 0.85 0.31 -0.98 1.25 3.08 -0.46 0.94 114.38 119.37 2hf5 h ARG 106 Ca 0.29 -0.41 0.21 0.00 0.07 0.00 0.00 59.98 60.14 2hf5 h ARG 106 Cb 0.05 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 2hf5 h ARG 106 CO -0.12 1.13 0.62 1.25 -1.07 0.00 0.00 179.97 181.78 2hf5 h HIS 107 N -0.31 0.78 0.16 3.04 2.76 -1.05 0.41 115.15 120.93 2hf5 h HIS 107 Ca -0.09 0.03 -0.34 0.00 -2.20 0.00 0.00 60.37 57.76 2hf5 h HIS 107 Cb 1.39 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 2hf5 h HIS 107 CO 0.18 0.16 -1.77 -0.24 -1.30 0.00 0.00 177.93 174.96 2hf5 h VAL 108 N 0.55 0.86 0.00 5.26 3.04 -1.37 -3.33 116.25 121.26 2hf5 h VAL 108 Ca 0.54 -2.44 0.00 0.00 -1.01 0.00 0.00 66.70 63.79 2hf5 h VAL 108 Cb 1.14 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 33.10 2hf5 h VAL 108 CO -0.29 0.84 0.00 0.80 -1.01 0.00 0.00 177.57 177.92 2hf5 n MET 109 N -3.62 0.00 0.00 4.17 0.00 0.32 -4.83 117.12 113.16 2hf5 n MET 109 Ca -0.27 0.32 0.00 0.00 0.00 0.00 0.00 57.70 57.75 2hf5 n MET 109 Cb 1.04 -0.95 0.00 0.00 0.00 0.00 0.00 33.22 33.31 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 -1.47 0.00 -1.90 1.12 -2.24 -0.91 -5.06 114.28 103.82 2hf5 n THR 110 Ca 0.00 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 2hf5 n THR 110 Cb 0.00 0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 2hf5 n THR 110 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2hf5 n ASN 111 N -0.54 0.29 -4.21 3.42 5.15 0.14 -4.91 115.26 114.59 2hf5 n ASN 111 Ca 0.00 -1.31 -0.60 0.00 -0.60 0.00 0.00 54.58 52.07 2hf5 n ASN 111 Cb 0.00 -0.30 -0.09 0.00 -0.53 0.00 0.00 39.78 38.86 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2hf5 n LEU 112 N 0.00 1.05 0.00 1.20 7.94 -1.26 -4.56 117.00 121.37 2hf5 n LEU 112 Ca 0.06 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2hf5 n LEU 112 Cb 0.21 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.38 2hf5 n LEU 112 CO 0.15 -0.75 0.00 0.61 -1.11 0.00 0.00 177.39 176.29