#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 4.67 0.22 0.00 2.02 -1.26 -4.96 118.70 119.39 2hf5 s GLU 47 Ca 0.00 1.34 -0.08 0.00 0.02 0.00 0.00 54.97 56.25 2hf5 s GLU 47 Cb 0.00 -3.35 0.18 0.00 0.10 0.00 0.00 34.13 31.06 2hf5 s GLU 47 CO 0.00 0.32 1.83 -0.07 0.02 0.00 0.00 175.26 177.36 2hf5 h LEU 48 N 5.22 1.04 -0.70 1.80 -0.00 -1.99 -1.86 115.31 118.82 2hf5 h LEU 48 Ca -0.44 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.32 2hf5 h LEU 48 Cb 1.21 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 2hf5 h LEU 48 CO 0.70 0.85 0.38 -0.61 -0.00 0.00 0.00 178.44 179.77 2hf5 h GLN 49 N 1.15 0.99 -0.19 1.13 4.15 -1.98 0.84 115.11 121.19 2hf5 h GLN 49 Ca 0.29 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.61 2hf5 h GLN 49 Cb 0.05 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2hf5 h GLN 49 CO -0.04 0.75 0.07 0.22 -1.93 0.00 0.00 178.83 177.89 2hf5 h ASP 50 N 0.97 0.08 0.21 -0.69 3.58 -1.83 0.65 116.42 119.39 2hf5 h ASP 50 Ca 0.25 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.63 2hf5 h ASP 50 Cb 0.05 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2hf5 h ASP 50 CO -0.04 0.07 -0.35 -0.03 -2.88 0.00 0.00 179.24 176.02 2hf5 h MET 51 N 0.16 0.20 -0.33 0.28 4.05 -1.06 -1.95 114.93 116.28 2hf5 h MET 51 Ca 0.08 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2hf5 h MET 51 Cb 0.05 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2hf5 h MET 51 CO -0.08 0.53 0.15 0.82 0.23 0.00 0.00 176.91 178.56 2hf5 h ILE 52 N 0.18 1.17 -0.09 1.77 2.04 -0.19 -1.67 117.51 120.72 2hf5 h ILE 52 Ca 0.02 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2hf5 h ILE 52 Cb 0.70 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2hf5 h ILE 52 CO 0.05 0.18 -0.07 0.78 0.00 0.00 0.00 178.15 179.09 2hf5 h ASN 53 N 0.39 0.11 0.83 1.72 -0.26 -0.34 0.29 115.58 118.33 2hf5 h ASN 53 Ca 0.11 -0.01 -0.24 0.00 -0.56 0.00 0.00 56.30 55.60 2hf5 h ASN 53 Cb 0.14 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 2hf5 h ASN 53 CO -0.01 0.21 -1.17 -0.33 -1.06 0.00 0.00 177.43 175.07 2hf5 h GLU 54 N 0.12 0.07 0.01 0.81 4.39 -1.11 -3.36 114.58 115.52 2hf5 h GLU 54 Ca 0.03 -0.12 -0.31 0.00 0.34 0.00 0.00 59.36 59.30 2hf5 h GLU 54 Cb 0.21 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 2hf5 h GLU 54 CO 0.01 0.99 -1.85 0.28 -1.16 0.00 0.00 179.01 177.28 2hf5 n VAL 55 N -3.36 1.59 -1.58 3.13 0.31 -0.65 -4.75 118.33 113.02 2hf5 n VAL 55 Ca -0.05 -0.79 -0.14 0.00 -0.01 0.00 0.00 64.34 63.36 2hf5 n VAL 55 Cb 0.98 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 32.80 2hf5 n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hf5 s ASP 56 N -6.10 3.77 0.06 4.52 2.15 0.98 -4.76 116.67 117.28 2hf5 s ASP 56 Ca -0.08 -0.22 -0.15 0.00 0.43 0.00 0.00 52.55 52.54 2hf5 s ASP 56 Cb 0.08 -2.56 -0.25 0.00 -0.30 0.00 0.00 42.92 39.89 2hf5 s ASP 56 CO 0.82 -4.12 1.16 0.00 -0.17 0.00 0.00 175.17 172.86 2hf5 h ALA 57 N 12.40 0.09 0.00 3.66 0.00 -1.85 -3.30 119.26 130.25 2hf5 h ALA 57 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2hf5 h ALA 57 Cb 1.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2hf5 h ALA 57 CO 1.01 0.65 -0.90 -0.44 0.00 0.00 0.00 179.25 179.57 2hf5 h ASP 58 N 0.31 0.00 0.00 0.00 3.32 -1.89 -3.47 116.42 114.69 2hf5 h ASP 58 Ca -0.14 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2hf5 h ASP 58 Cb 1.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.26 2hf5 h ASP 58 CO 0.20 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.37 2hf5 n GLY 59 N 1.22 0.72 0.00 2.75 0.00 -1.25 -4.94 105.19 103.71 2hf5 n GLY 59 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 117.68 2hf5 n ASN 60 Ca 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 54.58 53.73 2hf5 n ASN 60 Cb 0.00 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 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 0.73 0.77 3.58 4.83 0.00 -1.26 -4.97 105.19 108.87 2hf5 n GLY 61 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.85 0.00 0.10 2.61 -1.32 -1.26 -4.91 115.64 108.01 2hf5 s THR 62 Ca 0.00 -0.41 -0.28 0.00 -1.21 0.00 0.00 61.69 59.80 2hf5 s THR 62 Cb 0.00 -1.39 -0.06 0.00 -1.51 0.00 0.00 72.50 69.54 2hf5 s THR 62 CO 0.00 -0.01 0.88 -0.63 -2.21 0.00 0.00 174.62 172.65 2hf5 s ILE 63 N -3.82 4.55 0.50 5.08 1.01 -0.03 -4.75 121.20 123.74 2hf5 s ILE 63 Ca 0.05 1.89 0.06 0.00 0.00 0.00 0.00 60.65 62.64 2hf5 s ILE 63 Cb -0.03 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.21 2hf5 s ILE 63 CO -0.05 0.36 0.31 1.51 0.00 0.00 0.00 174.94 177.06 2hf5 s ASP 64 N -0.16 4.58 0.14 3.58 1.47 -1.26 -2.25 116.67 122.76 2hf5 s ASP 64 Ca 0.43 -1.20 -0.20 0.00 1.18 0.00 0.00 52.55 52.76 2hf5 s ASP 64 Cb -0.22 0.11 0.02 0.00 -0.34 0.00 0.00 42.92 42.48 2hf5 s ASP 64 CO 0.27 -0.90 1.67 -0.26 0.68 0.00 0.00 175.17 176.63 2hf5 h PHE 65 N 1.00 -0.34 -0.86 2.11 0.04 -1.97 0.23 116.94 117.15 2hf5 h PHE 65 Ca -0.39 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.44 2hf5 h PHE 65 Cb 1.29 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.57 2hf5 h PHE 65 CO 0.91 -0.21 0.55 -1.35 -0.60 0.00 0.00 178.31 177.61 2hf5 h PRO 66 N -0.12 1.02 0.39 1.51 0.11 -2.00 -2.51 132.00 130.40 2hf5 h PRO 66 Ca 0.13 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 2hf5 h PRO 66 Cb 0.31 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2hf5 h PRO 66 CO -0.31 0.68 -0.19 1.49 -0.21 0.00 0.00 178.00 179.46 2hf5 h GLU 67 N 1.05 -0.50 -0.56 1.05 4.81 -1.61 -2.12 114.58 116.70 2hf5 h GLU 67 Ca 0.35 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.66 2hf5 h GLU 67 Cb 0.05 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2hf5 h GLU 67 CO -0.13 -0.28 0.31 0.35 -0.73 0.00 0.00 179.01 178.53 2hf5 h PHE 68 N -0.62 0.57 -0.91 0.92 3.57 -0.53 0.42 116.94 120.36 2hf5 h PHE 68 Ca -0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2hf5 h PHE 68 Cb 0.45 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2hf5 h PHE 68 CO -0.03 0.29 0.51 -0.07 -2.23 0.00 0.00 178.31 176.79 2hf5 h LEU 69 N 0.60 1.13 0.01 0.59 3.38 -1.43 0.30 115.31 119.88 2hf5 h LEU 69 Ca 0.24 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 2hf5 h LEU 69 Cb 0.11 -0.29 0.02 0.00 0.09 0.00 0.00 40.66 40.59 2hf5 h LEU 69 CO -0.14 0.89 -0.84 0.74 0.09 0.00 0.00 178.44 179.18 2hf5 h THR 70 N 1.27 1.35 -0.10 0.22 2.02 -0.62 -0.49 112.91 116.56 2hf5 h THR 70 Ca 0.32 -2.18 -0.05 0.00 0.77 0.00 0.00 66.41 65.27 2hf5 h THR 70 Cb 0.01 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2hf5 h THR 70 CO -0.05 0.66 -0.15 0.24 0.37 0.00 0.00 175.52 176.58 2hf5 h MET 71 N 0.14 0.16 0.12 6.66 2.86 -0.03 0.56 114.93 125.40 2hf5 h MET 71 Ca -0.11 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2hf5 h MET 71 Cb 1.53 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.17 2hf5 h MET 71 CO 0.17 0.32 -0.06 1.98 1.06 0.00 0.00 176.91 180.38 2hf5 h MET 72 N 0.16 -0.16 0.00 1.72 -1.53 -0.34 -3.23 114.93 111.55 2hf5 h MET 72 Ca 0.03 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2hf5 h MET 72 Cb 0.36 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.45 2hf5 h MET 72 CO 0.02 -0.11 0.27 0.00 0.14 0.00 0.00 176.91 177.24 2hf5 h ALA 73 N -1.81 1.19 -0.72 0.39 0.00 -0.91 0.72 119.26 118.13 2hf5 h ALA 73 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2hf5 h ALA 73 Cb 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 2hf5 h ALA 73 CO 0.03 -0.19 -0.22 -0.09 0.00 0.00 0.00 179.25 178.78 2hf5 h ARG 74 N 0.00 -0.03 0.00 0.00 9.65 0.12 -3.38 114.38 120.74 2hf5 h ARG 74 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2hf5 h ARG 74 Cb 0.55 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2hf5 h ARG 74 CO 0.00 -0.02 -0.87 1.17 2.80 0.00 0.00 179.97 183.05 2hf5 n LYS 75 N -5.48 0.00 -3.69 0.20 3.00 -0.81 -5.03 118.16 106.35 2hf5 n LYS 75 Ca 0.09 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.01 2hf5 n LYS 75 Cb 0.37 -0.50 -0.12 0.00 0.00 0.00 0.00 35.03 34.79 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2hf5 s MET 76 N -1.98 2.83 -0.26 1.64 -1.94 0.18 -5.05 119.30 114.71 2hf5 s MET 76 Ca 0.00 -1.06 -0.04 0.00 -1.71 0.00 0.00 55.69 52.89 2hf5 s MET 76 Cb 0.00 -3.56 0.02 0.00 2.01 0.00 0.00 34.83 33.30 2hf5 s MET 76 CO 0.00 -0.62 -0.01 0.21 -0.01 0.00 0.00 175.02 174.58 2hf5 s LYS 77 N 1.49 2.97 0.00 2.03 2.47 -1.26 -2.80 119.74 124.64 2hf5 s LYS 77 Ca 0.01 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.51 2hf5 s LYS 77 Cb -0.19 -3.11 0.00 0.00 -1.46 0.00 0.00 37.83 33.07 2hf5 s LYS 77 CO 0.04 -0.40 0.00 -3.47 0.16 0.00 0.00 175.35 171.69 2hf5 n ASP 78 N 4.74 0.00 -4.21 1.43 2.03 -1.26 -5.05 116.55 114.24 2hf5 n ASP 78 Ca -0.16 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.83 2hf5 n ASP 78 Cb 0.48 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.71 2hf5 n ASP 78 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2hf5 s THR 79 N -0.60 2.05 -0.60 5.18 2.01 -1.26 -5.05 115.64 117.38 2hf5 s THR 79 Ca 0.00 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.05 2hf5 s THR 79 Cb 0.00 -1.78 0.19 0.00 0.01 0.00 0.00 72.50 70.92 2hf5 s THR 79 CO 0.00 0.56 0.50 -0.90 -0.69 0.00 0.00 174.62 174.09 2hf5 n ASP 80 N 3.65 2.03 -4.24 3.53 5.75 -1.26 -4.94 116.55 121.07 2hf5 n ASP 80 Ca -0.19 -3.00 -0.34 0.00 -0.01 0.00 0.00 54.79 51.24 2hf5 n ASP 80 Cb 0.53 -0.68 -0.15 0.00 -1.03 0.00 0.00 41.12 39.79 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2hf5 s SER 81 N -1.24 3.97 0.38 -1.12 0.15 -1.26 -5.01 113.70 109.57 2hf5 s SER 81 Ca 0.30 -0.52 0.11 0.00 0.70 0.00 0.00 55.95 56.54 2hf5 s SER 81 Cb 0.03 -1.66 0.88 0.00 -1.71 0.00 0.00 66.02 63.57 2hf5 s SER 81 CO -0.15 -0.03 1.88 -0.08 1.20 0.00 0.00 173.24 176.07 2hf5 h GLU 82 N 8.05 0.60 -0.24 5.44 4.81 -1.98 0.44 114.58 131.70 2hf5 h GLU 82 Ca -0.42 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2hf5 h GLU 82 Cb 1.15 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2hf5 h GLU 82 CO 0.61 0.39 0.07 1.05 -0.73 0.00 0.00 179.01 180.40 2hf5 h GLU 83 N 0.61 0.39 -0.41 1.92 4.11 -1.98 -0.14 114.58 119.08 2hf5 h GLU 83 Ca 0.43 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.63 2hf5 h GLU 83 Cb 0.76 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2hf5 h GLU 83 CO -0.18 0.48 -0.30 1.49 0.07 0.00 0.00 179.01 180.56 2hf5 h GLU 84 N 0.22 0.90 -0.49 1.06 4.57 -1.11 0.87 114.58 120.60 2hf5 h GLU 84 Ca 0.08 -0.42 -0.11 0.00 -1.18 0.00 0.00 59.36 57.72 2hf5 h GLU 84 Cb 0.26 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2hf5 h GLU 84 CO -0.00 1.07 -0.14 0.82 -1.18 0.00 0.00 179.01 179.58 2hf5 h ILE 85 N 0.76 1.27 -0.65 2.32 1.08 -0.28 0.18 117.51 122.18 2hf5 h ILE 85 Ca 0.08 -1.28 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 2hf5 h ILE 85 Cb 0.87 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 2hf5 h ILE 85 CO 0.08 0.45 0.21 -0.09 -0.69 0.00 0.00 178.15 178.10 2hf5 h ARG 86 N 0.84 1.01 -0.19 2.37 1.12 -0.69 0.31 114.38 119.15 2hf5 h ARG 86 Ca 0.13 -0.22 -0.09 0.00 -1.11 0.00 0.00 59.98 58.69 2hf5 h ARG 86 Cb 0.69 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 2hf5 h ARG 86 CO 0.05 0.88 -0.28 0.93 -3.11 0.00 0.00 179.97 178.44 2hf5 h GLU 87 N 0.94 0.36 -0.62 0.20 3.07 -0.51 -2.14 114.58 115.87 2hf5 h GLU 87 Ca 0.21 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2hf5 h GLU 87 Cb 0.29 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2hf5 h GLU 87 CO -0.01 0.61 0.06 0.00 -1.40 0.00 0.00 179.01 178.27 2hf5 h ALA 88 N 1.39 0.83 -0.92 3.43 0.00 -0.03 -0.84 119.26 123.12 2hf5 h ALA 88 Ca 0.05 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2hf5 h ALA 88 Cb 0.66 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2hf5 h ALA 88 CO 0.05 0.63 0.56 0.74 0.00 0.00 0.00 179.25 181.23 2hf5 h PHE 89 N 0.97 1.02 0.00 0.00 -1.00 -0.33 0.42 116.94 118.01 2hf5 h PHE 89 Ca 0.18 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.86 2hf5 h PHE 89 Cb 0.49 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 2hf5 h PHE 89 CO 0.04 0.43 -0.65 0.00 -1.61 0.00 0.00 178.31 176.51 2hf5 h ARG 90 N 0.93 0.00 0.01 1.51 3.08 -0.98 -1.91 114.38 117.01 2hf5 h ARG 90 Ca 0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.48 2hf5 h ARG 90 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2hf5 h ARG 90 CO -0.24 0.65 -0.07 0.28 -1.07 0.00 0.00 179.97 179.52 2hf5 h VAL 91 N 0.00 1.73 -0.46 2.04 2.07 -0.01 -3.35 116.25 118.26 2hf5 h VAL 91 Ca -0.01 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.26 2hf5 h VAL 91 Cb 1.15 3.24 -0.02 0.00 -1.52 0.00 0.00 31.29 34.14 2hf5 h VAL 91 CO 0.08 0.58 0.19 -0.26 0.02 0.00 0.00 177.57 178.19 2hf5 h PHE 92 N -0.89 0.70 -3.95 1.57 0.04 -0.30 -3.43 116.94 110.69 2hf5 h PHE 92 Ca -0.01 -0.05 -0.53 0.00 2.80 0.00 0.00 57.97 60.18 2hf5 h PHE 92 Cb 0.99 -0.21 0.09 0.00 2.20 0.00 0.00 35.95 39.02 2hf5 h PHE 92 CO 0.25 0.59 0.62 0.34 -0.60 0.00 0.00 178.31 179.51 2hf5 s ASP 93 N -5.91 6.29 -0.01 2.17 -1.08 -0.72 -4.23 116.67 113.18 2hf5 s ASP 93 Ca -0.13 2.69 0.09 0.00 -0.52 0.00 0.00 52.55 54.67 2hf5 s ASP 93 Cb 0.11 -2.64 -0.23 0.00 -1.46 0.00 0.00 42.92 38.70 2hf5 s ASP 93 CO 0.76 -0.86 0.77 0.07 0.52 0.00 0.00 175.17 176.44 2hf5 h LYS 94 N 2.68 0.04 -0.01 4.34 2.10 -1.83 -3.32 116.57 120.57 2hf5 h LYS 94 Ca -0.50 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 2hf5 h LYS 94 Cb 1.25 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2hf5 h LYS 94 CO 0.63 0.70 -0.41 -0.40 -2.00 0.00 0.00 179.45 177.97 2hf5 n ASP 95 N -3.17 1.73 -3.66 7.07 5.68 -1.26 -5.00 116.55 117.93 2hf5 n ASP 95 Ca -0.15 -1.37 -0.28 0.00 -0.50 0.00 0.00 54.79 52.50 2hf5 n ASP 95 Cb 1.03 0.50 0.02 0.00 -1.14 0.00 0.00 41.12 41.53 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 1.26 -0.50 0.00 6.12 0.00 -1.25 -4.86 105.19 105.95 2hf5 n GLY 96 Ca 0.07 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.68 0.00 0.00 1.61 6.94 -1.26 -4.83 115.26 115.04 2hf5 n ASN 97 Ca 0.01 -0.45 0.00 0.00 -0.02 0.00 0.00 54.58 54.12 2hf5 n ASN 97 Cb 0.54 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 0.39 0.94 3.29 4.83 0.00 -1.26 -5.07 105.19 108.30 2hf5 n GLY 98 Ca 0.14 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 -0.37 -0.42 1.61 2.02 -1.26 -4.89 117.35 112.03 2hf5 s TYR 99 Ca 0.00 0.82 -0.08 0.00 -0.37 0.00 0.00 57.07 57.45 2hf5 s TYR 99 Cb 0.00 0.15 0.09 0.00 -0.40 0.00 0.00 41.96 41.80 2hf5 s TYR 99 CO 0.00 -0.29 0.26 0.42 -1.57 0.00 0.00 175.55 174.37 2hf5 s ILE 100 N -0.34 4.00 0.53 2.71 1.01 -0.96 -4.70 121.20 123.44 2hf5 s ILE 100 Ca -0.05 -1.61 0.08 0.00 0.00 0.00 0.00 60.65 59.07 2hf5 s ILE 100 Cb -0.03 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.95 2hf5 s ILE 100 CO 0.02 -0.59 0.62 -0.44 0.00 0.00 0.00 174.94 174.55 2hf5 s SER 101 N 2.17 5.06 0.07 3.58 0.01 -1.26 -0.85 113.70 122.48 2hf5 s SER 101 Ca 0.04 -0.87 -0.29 0.00 1.31 0.00 0.00 55.95 56.14 2hf5 s SER 101 Cb -0.24 0.09 -0.18 0.00 0.21 0.00 0.00 66.02 65.91 2hf5 s SER 101 CO 0.00 -1.12 1.63 0.00 0.41 0.00 0.00 173.24 174.16 2hf5 h ALA 102 N 0.48 -0.59 -0.89 1.44 0.00 -1.87 -0.61 119.26 117.22 2hf5 h ALA 102 Ca -0.34 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.62 2hf5 h ALA 102 Cb 1.29 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 2hf5 h ALA 102 CO 0.47 -0.82 0.44 0.00 0.00 0.00 0.00 179.25 179.34 2hf5 h ALA 103 N -0.06 1.41 -0.31 0.00 0.00 -1.97 0.20 119.26 118.53 2hf5 h ALA 103 Ca -0.06 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2hf5 h ALA 103 Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2hf5 h ALA 103 CO 0.10 -0.22 0.16 0.93 0.00 0.00 0.00 179.25 180.22 2hf5 h GLU 104 N 0.52 0.44 0.13 0.00 4.39 -1.78 -1.10 114.58 117.19 2hf5 h GLU 104 Ca 0.53 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 2hf5 h GLU 104 Cb 0.90 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2hf5 h GLU 104 CO -0.45 0.40 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.67 2hf5 h LEU 105 N 0.37 -0.15 -1.48 1.33 3.38 0.59 -1.65 115.31 117.71 2hf5 h LEU 105 Ca 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2hf5 h LEU 105 Cb 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2hf5 h LEU 105 CO -0.02 -0.04 -0.11 0.03 0.09 0.00 0.00 178.44 178.39 2hf5 h ARG 106 N -0.24 0.00 -0.11 1.13 3.08 -0.64 0.49 114.38 118.08 2hf5 h ARG 106 Ca -0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 2hf5 h ARG 106 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.25 2hf5 h ARG 106 CO 0.03 0.11 -0.82 1.25 -1.07 0.00 0.00 179.97 179.47 2hf5 h HIS 107 N 0.00 0.97 0.04 3.04 2.76 -0.65 0.43 115.15 121.74 2hf5 h HIS 107 Ca -0.00 -0.45 -0.29 0.00 -2.20 0.00 0.00 60.37 57.43 2hf5 h HIS 107 Cb 0.55 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 2hf5 h HIS 107 CO 0.00 1.27 -1.62 -0.24 -1.30 0.00 0.00 177.93 176.04 2hf5 h VAL 108 N 0.46 0.99 0.00 5.26 3.04 -0.77 -3.34 116.25 121.90 2hf5 h VAL 108 Ca -0.06 -2.77 0.00 0.00 -1.01 0.00 0.00 66.70 62.86 2hf5 h VAL 108 Cb 1.44 2.55 0.00 0.00 -2.01 0.00 0.00 31.29 33.28 2hf5 h VAL 108 CO 0.16 0.67 0.00 0.80 -1.01 0.00 0.00 177.57 178.19 2hf5 n MET 109 N -3.22 0.00 0.00 4.17 0.00 0.17 -4.91 117.12 113.33 2hf5 n MET 109 Ca -0.17 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.78 2hf5 n MET 109 Cb 1.03 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 33.52 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 -1.30 0.00 -1.11 1.12 -2.24 -1.21 -5.06 114.28 104.48 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 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.03 0.00 -4.48 3.42 4.13 0.15 -4.88 115.26 112.57 2hf5 n ASN 111 Ca 0.00 -0.60 -0.62 0.00 1.68 0.00 0.00 54.58 55.04 2hf5 n ASN 111 Cb 0.17 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.31 2hf5 n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2hf5 n LEU 112 N 0.00 1.15 -0.10 3.41 4.77 -1.25 -4.52 117.00 120.47 2hf5 n LEU 112 Ca 0.00 0.87 0.01 0.00 -0.03 0.00 0.00 56.01 56.86 2hf5 n LEU 112 Cb 0.00 -0.94 0.01 0.00 -2.33 0.00 0.00 43.42 40.16 2hf5 n LEU 112 CO 0.00 -0.76 0.29 0.61 -1.33 0.00 0.00 177.39 176.20