#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hf5 n GLU 47 N 0.00 3.98 0.10 0.00 0.28 -1.26 -4.49 120.64 119.25 2hf5 n GLU 47 Ca 0.00 -2.89 -0.22 0.00 -0.16 0.00 0.00 57.16 53.89 2hf5 n GLU 47 Cb 0.00 -2.79 -0.13 0.00 1.43 0.00 0.00 31.44 29.95 2hf5 n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2hf5 h LEU 48 N 6.81 0.83 -1.25 -1.84 3.38 -1.98 -2.87 115.31 118.39 2hf5 h LEU 48 Ca 0.73 -0.79 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2hf5 h LEU 48 Cb 0.36 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2hf5 h LEU 48 CO 1.66 1.60 0.54 -0.61 0.09 0.00 0.00 178.44 181.72 2hf5 h GLN 49 N 0.24 0.86 0.35 1.13 4.15 -1.98 0.59 115.11 120.44 2hf5 h GLN 49 Ca -0.19 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 2hf5 h GLN 49 Cb 1.96 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.46 2hf5 h GLN 49 CO 0.24 0.57 -0.17 -0.44 -1.93 0.00 0.00 178.83 177.10 2hf5 h ASP 50 N 0.88 -0.40 -0.76 -0.69 3.32 -1.90 -0.68 116.42 116.20 2hf5 h ASP 50 Ca 0.37 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 2hf5 h ASP 50 Cb 0.28 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2hf5 h ASP 50 CO -0.14 -0.26 0.41 -0.03 -1.72 0.00 0.00 179.24 177.50 2hf5 h MET 51 N -0.51 1.09 -0.74 3.56 4.05 -1.15 -1.44 114.93 119.79 2hf5 h MET 51 Ca -0.05 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.29 2hf5 h MET 51 Cb 0.39 -0.21 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 2hf5 h MET 51 CO 0.08 0.81 0.44 0.82 0.23 0.00 0.00 176.91 179.29 2hf5 h ILE 52 N 1.09 1.02 0.00 1.77 2.04 0.44 -1.94 117.51 121.93 2hf5 h ILE 52 Ca 0.27 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2hf5 h ILE 52 Cb 0.06 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 2hf5 h ILE 52 CO -0.04 0.15 -0.48 0.78 0.00 0.00 0.00 178.15 178.56 2hf5 h ASN 53 N 0.81 0.00 0.68 1.72 -0.26 -0.63 -0.96 115.58 116.94 2hf5 h ASN 53 Ca 0.32 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.81 2hf5 h ASN 53 Cb 0.15 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2hf5 h ASN 53 CO -0.16 0.23 -1.14 -0.08 -1.06 0.00 0.00 177.43 175.22 2hf5 h GLU 54 N 0.00 0.22 0.00 0.81 4.81 -0.94 -3.34 114.58 116.15 2hf5 h GLU 54 Ca -0.02 -0.35 -0.31 0.00 -0.13 0.00 0.00 59.36 58.55 2hf5 h GLU 54 Cb 1.20 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 2hf5 h GLU 54 CO 0.03 1.15 -1.82 0.28 -0.73 0.00 0.00 179.01 177.92 2hf5 n VAL 55 N -3.52 1.59 -1.73 0.32 0.31 -0.76 -4.83 118.33 109.70 2hf5 n VAL 55 Ca -0.06 -0.80 -0.42 0.00 -0.01 0.00 0.00 64.34 63.05 2hf5 n VAL 55 Cb 0.98 -0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 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 -6.04 6.48 -0.17 4.52 2.15 -0.37 -4.86 116.67 118.37 2hf5 s ASP 56 Ca -0.06 2.63 0.14 0.00 0.43 0.00 0.00 52.55 55.68 2hf5 s ASP 56 Cb 0.08 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.92 2hf5 s ASP 56 CO 0.82 -1.03 0.16 0.00 -0.17 0.00 0.00 175.17 174.95 2hf5 n ALA 57 N 7.17 1.47 0.32 3.66 0.00 -1.26 -4.42 120.51 127.43 2hf5 n ALA 57 Ca 0.19 -1.17 0.06 0.00 0.00 0.00 0.00 53.44 52.53 2hf5 n ALA 57 Cb 0.41 -0.32 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.91 1.26 0.00 0.00 5.75 -1.26 -5.01 116.55 114.38 2hf5 n ASP 58 Ca -0.31 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 2hf5 n ASP 58 Cb 1.11 1.28 0.00 0.00 -1.03 0.00 0.00 41.12 42.49 2hf5 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hf5 n GLY 59 N 1.51 0.50 0.00 6.12 0.00 -1.26 -4.93 105.19 107.13 2hf5 n GLY 59 Ca 0.00 -0.89 0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 1.63 0.00 0.00 1.61 6.94 -1.26 -4.87 115.26 119.31 2hf5 n ASN 60 Ca 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 2hf5 n ASN 60 Cb 0.02 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 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 1.08 0.74 3.80 4.83 0.00 -1.26 -5.01 105.19 109.37 2hf5 n GLY 61 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.33 0.00 0.00 2.61 -1.32 -1.26 -4.96 115.64 108.38 2hf5 s THR 62 Ca 0.00 -1.01 -0.12 0.00 -1.21 0.00 0.00 61.69 59.35 2hf5 s THR 62 Cb 0.00 -2.87 -0.05 0.00 -1.51 0.00 0.00 72.50 68.07 2hf5 s THR 62 CO 0.00 0.00 0.37 -0.63 -2.21 0.00 0.00 174.62 172.15 2hf5 s ILE 63 N -2.34 5.11 0.48 5.08 1.01 -1.07 -4.61 121.20 124.86 2hf5 s ILE 63 Ca 0.16 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.52 2hf5 s ILE 63 Cb -0.05 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 2hf5 s ILE 63 CO 0.11 0.52 0.28 -0.62 0.00 0.00 0.00 174.94 175.23 2hf5 s ASP 64 N -1.23 4.54 0.14 3.58 -1.08 -1.26 -3.43 116.67 117.92 2hf5 s ASP 64 Ca 0.25 -1.19 -0.21 0.00 -0.52 0.00 0.00 52.55 50.88 2hf5 s ASP 64 Cb -0.15 0.04 -0.01 0.00 -1.46 0.00 0.00 42.92 41.34 2hf5 s ASP 64 CO 0.13 -0.84 1.68 -0.26 0.52 0.00 0.00 175.17 176.40 2hf5 h PHE 65 N 1.08 -0.27 -0.53 -5.34 -1.00 -1.99 0.04 116.94 108.93 2hf5 h PHE 65 Ca -0.40 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.48 2hf5 h PHE 65 Cb 1.28 0.15 -0.06 0.00 3.61 0.00 0.00 35.95 40.93 2hf5 h PHE 65 CO 0.89 -0.17 0.19 -1.35 -1.61 0.00 0.00 178.31 176.26 2hf5 h PRO 66 N -0.10 0.36 0.32 1.51 0.11 -2.00 -2.71 132.00 129.50 2hf5 h PRO 66 Ca 0.11 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 2hf5 h PRO 66 Cb 0.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.29 2hf5 h PRO 66 CO -0.26 0.24 -0.16 0.93 -0.21 0.00 0.00 178.00 178.55 2hf5 h GLU 67 N 0.37 -0.42 -0.51 1.05 5.08 -1.75 -1.65 114.58 116.75 2hf5 h GLU 67 Ca 0.26 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 2hf5 h GLU 67 Cb 0.29 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2hf5 h GLU 67 CO -0.26 -0.24 0.23 0.35 -1.00 0.00 0.00 179.01 178.09 2hf5 h PHE 68 N -0.50 0.41 -0.51 4.33 3.57 -0.97 0.16 116.94 123.44 2hf5 h PHE 68 Ca -0.04 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 2hf5 h PHE 68 Cb 0.37 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2hf5 h PHE 68 CO -0.04 0.17 0.09 -0.07 -2.23 0.00 0.00 178.31 176.24 2hf5 h LEU 69 N 0.44 0.81 -0.13 0.59 -0.00 -1.41 0.94 115.31 116.54 2hf5 h LEU 69 Ca 0.24 -0.25 -0.11 0.00 -0.00 0.00 0.00 57.88 57.76 2hf5 h LEU 69 Cb 0.20 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2hf5 h LEU 69 CO -0.20 0.85 -0.34 0.74 -0.00 0.00 0.00 178.44 179.50 2hf5 h THR 70 N 0.73 1.37 0.00 0.22 2.02 -0.78 0.14 112.91 116.60 2hf5 h THR 70 Ca 0.16 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 2hf5 h THR 70 Cb 0.38 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2hf5 h THR 70 CO 0.01 0.48 -0.21 0.24 0.37 0.00 0.00 175.52 176.41 2hf5 h MET 71 N 0.07 0.00 0.24 6.66 2.86 -0.68 0.49 114.93 124.57 2hf5 h MET 71 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2hf5 h MET 71 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 2hf5 h MET 71 CO 0.07 0.21 -0.12 1.98 1.06 0.00 0.00 176.91 180.12 2hf5 h MET 72 N 0.00 -0.31 0.00 1.72 -1.53 -0.61 -3.13 114.93 111.07 2hf5 h MET 72 Ca -0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.28 2hf5 h MET 72 Cb 0.38 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.50 2hf5 h MET 72 CO 0.03 -0.21 0.29 0.00 0.14 0.00 0.00 176.91 177.16 2hf5 h ALA 73 N -1.76 1.22 -0.62 0.39 0.00 -0.85 -0.73 119.26 116.91 2hf5 h ALA 73 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2hf5 h ALA 73 Cb 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.92 2hf5 h ALA 73 CO 0.05 -0.22 -0.13 -0.09 0.00 0.00 0.00 179.25 178.86 2hf5 h ARG 74 N 0.00 0.01 0.00 0.00 9.65 0.06 -3.37 114.38 120.73 2hf5 h ARG 74 Ca 0.00 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 2hf5 h ARG 74 Cb 0.58 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2hf5 h ARG 74 CO 0.00 0.01 -0.94 1.63 2.80 0.00 0.00 179.97 183.47 2hf5 n LYS 75 N -5.41 0.14 -3.91 0.20 4.76 -0.79 -5.01 118.16 108.14 2hf5 n LYS 75 Ca 0.08 0.06 -0.35 0.00 -2.87 0.00 0.00 58.31 55.22 2hf5 n LYS 75 Cb 0.33 -0.73 -0.14 0.00 -1.84 0.00 0.00 35.03 32.65 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2hf5 s MET 76 N -2.16 2.81 -0.29 1.97 -1.94 -0.35 -5.07 119.30 114.28 2hf5 s MET 76 Ca -0.08 -1.01 -0.05 0.00 -1.71 0.00 0.00 55.69 52.84 2hf5 s MET 76 Cb 0.03 -3.10 0.02 0.00 2.01 0.00 0.00 34.83 33.79 2hf5 s MET 76 CO 0.11 -0.45 0.04 0.21 -0.01 0.00 0.00 175.02 174.92 2hf5 s LYS 77 N 1.35 2.94 -0.33 2.03 2.47 -1.26 -2.99 119.74 123.95 2hf5 s LYS 77 Ca -0.00 -0.94 -0.08 0.00 -1.56 0.00 0.00 55.97 53.38 2hf5 s LYS 77 Cb -0.17 -3.26 0.20 0.00 -1.46 0.00 0.00 37.83 33.13 2hf5 s LYS 77 CO -0.02 -0.46 1.06 0.34 0.16 0.00 0.00 175.35 176.43 2hf5 s ASP 78 N 1.43 -0.31 0.42 1.43 2.15 -1.26 -5.04 116.67 115.48 2hf5 s ASP 78 Ca 0.01 -0.22 0.07 0.00 0.43 0.00 0.00 52.55 52.83 2hf5 s ASP 78 Cb -0.17 0.40 -0.07 0.00 -0.30 0.00 0.00 42.92 42.78 2hf5 s ASP 78 CO 0.00 -0.03 0.02 -0.89 -0.17 0.00 0.00 175.17 174.10 2hf5 s THR 79 N 1.66 1.96 0.00 1.71 2.01 -1.26 -5.14 115.64 116.57 2hf5 s THR 79 Ca 0.17 -1.99 0.00 0.00 0.31 0.00 0.00 61.69 60.19 2hf5 s THR 79 Cb 0.06 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.63 2hf5 s THR 79 CO -0.14 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.26 2hf5 n ASP 80 N -1.00 0.00 -4.70 3.53 9.92 -1.26 -5.08 116.55 117.96 2hf5 n ASP 80 Ca -0.06 -0.87 -0.30 0.00 -0.53 0.00 0.00 54.79 53.03 2hf5 n ASP 80 Cb 0.67 0.00 0.14 0.00 -0.64 0.00 0.00 41.12 41.29 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2hf5 s SER 81 N -1.00 3.35 0.45 -2.24 1.04 -1.26 -4.83 113.70 109.21 2hf5 s SER 81 Ca 0.00 1.83 0.10 0.00 0.48 0.00 0.00 55.95 58.36 2hf5 s SER 81 Cb 0.00 -2.43 1.01 0.00 0.10 0.00 0.00 66.02 64.70 2hf5 s SER 81 CO 0.00 -2.77 2.09 -0.08 0.98 0.00 0.00 173.24 173.46 2hf5 h GLU 82 N -1.64 0.35 -0.68 4.02 4.81 -1.98 -1.55 114.58 117.91 2hf5 h GLU 82 Ca -0.47 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 2hf5 h GLU 82 Cb 1.27 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2hf5 h GLU 82 CO 0.49 0.23 0.40 0.93 -0.73 0.00 0.00 179.01 180.33 2hf5 h GLU 83 N 0.36 0.73 -0.35 1.92 5.08 -1.99 0.38 114.58 120.70 2hf5 h GLU 83 Ca 0.10 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2hf5 h GLU 83 Cb -0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2hf5 h GLU 83 CO -0.02 0.48 -0.09 0.93 -1.00 0.00 0.00 179.01 179.31 2hf5 h GLU 84 N 0.75 0.59 -0.45 2.33 4.39 -1.66 -1.99 114.58 118.56 2hf5 h GLU 84 Ca 0.29 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 2hf5 h GLU 84 Cb 0.12 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2hf5 h GLU 84 CO -0.15 0.68 -0.26 0.82 -1.16 0.00 0.00 179.01 178.95 2hf5 h ILE 85 N 0.55 1.27 -0.32 3.13 1.08 -0.40 0.14 117.51 122.96 2hf5 h ILE 85 Ca 0.10 -1.42 -0.09 0.00 -0.39 0.00 0.00 64.86 63.06 2hf5 h ILE 85 Cb 0.49 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 2hf5 h ILE 85 CO 0.03 0.48 -0.19 0.08 -0.69 0.00 0.00 178.15 177.86 2hf5 h ARG 86 N 0.80 0.59 -0.19 2.37 0.11 -0.14 0.16 114.38 118.07 2hf5 h ARG 86 Ca 0.09 -0.21 -0.10 0.00 0.10 0.00 0.00 59.98 59.87 2hf5 h ARG 86 Cb 0.84 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 2hf5 h ARG 86 CO 0.07 0.75 -0.30 0.93 0.10 0.00 0.00 179.97 181.52 2hf5 h GLU 87 N 0.53 0.38 -0.46 0.08 5.08 -1.11 -2.26 114.58 116.80 2hf5 h GLU 87 Ca 0.08 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2hf5 h GLU 87 Cb 0.63 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2hf5 h GLU 87 CO 0.04 0.64 -0.07 0.00 -1.00 0.00 0.00 179.01 178.62 2hf5 h ALA 88 N 1.36 0.63 -0.79 3.43 0.00 0.33 0.22 119.26 124.45 2hf5 h ALA 88 Ca 0.05 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.71 2hf5 h ALA 88 Cb 0.69 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2hf5 h ALA 88 CO 0.05 0.50 0.51 0.74 0.00 0.00 0.00 179.25 181.06 2hf5 h PHE 89 N 0.71 0.85 0.01 0.00 -1.00 -0.45 0.72 116.94 117.78 2hf5 h PHE 89 Ca 0.12 0.02 -0.21 0.00 2.81 0.00 0.00 57.97 60.71 2hf5 h PHE 89 Cb 0.61 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 2hf5 h PHE 89 CO 0.05 0.44 -0.92 -0.09 -1.61 0.00 0.00 178.31 176.18 2hf5 h ARG 90 N 0.83 0.30 0.16 1.51 1.12 -0.94 -2.92 114.38 114.44 2hf5 h ARG 90 Ca 0.34 -0.34 -0.34 0.00 -1.11 0.00 0.00 59.98 58.53 2hf5 h ARG 90 Cb 0.26 0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2hf5 h ARG 90 CO -0.12 1.04 -1.76 0.28 -3.11 0.00 0.00 179.97 176.30 2hf5 h VAL 91 N 0.17 0.91 -0.01 0.20 2.07 -0.28 -3.28 116.25 116.04 2hf5 h VAL 91 Ca -0.06 -2.54 -0.13 0.00 0.82 0.00 0.00 66.70 64.78 2hf5 h VAL 91 Cb 1.56 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 34.01 2hf5 h VAL 91 CO 0.15 0.85 -0.62 -0.26 0.02 0.00 0.00 177.57 177.71 2hf5 h PHE 92 N 0.09 0.03 -4.04 1.57 0.04 0.29 -3.43 116.94 111.50 2hf5 h PHE 92 Ca -0.34 -0.01 -0.49 0.00 2.80 0.00 0.00 57.97 59.93 2hf5 h PHE 92 Cb 2.07 -0.01 0.05 0.00 2.20 0.00 0.00 35.95 40.26 2hf5 h PHE 92 CO 0.09 0.63 0.43 0.34 -0.60 0.00 0.00 178.31 179.20 2hf5 s ASP 93 N -6.85 6.16 0.09 2.17 -1.08 -1.10 -2.89 116.67 113.17 2hf5 s ASP 93 Ca -0.02 2.13 -0.17 0.00 -0.52 0.00 0.00 52.55 53.97 2hf5 s ASP 93 Cb 0.13 -2.58 -0.07 0.00 -1.46 0.00 0.00 42.92 38.93 2hf5 s ASP 93 CO 0.77 -0.91 1.51 0.11 0.52 0.00 0.00 175.17 177.16 2hf5 h LYS 94 N 1.72 0.53 -0.31 4.34 1.57 -1.84 -3.22 116.57 119.37 2hf5 h LYS 94 Ca -0.49 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2hf5 h LYS 94 Cb 1.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2hf5 h LYS 94 CO 0.59 0.71 0.00 -0.40 -0.57 0.00 0.00 179.45 179.78 2hf5 n ASP 95 N -4.54 3.49 -4.17 0.86 5.75 -1.26 -4.98 116.55 111.70 2hf5 n ASP 95 Ca -0.03 -2.54 -0.36 0.00 -0.01 0.00 0.00 54.79 51.86 2hf5 n ASP 95 Cb 0.29 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hf5 n GLY 96 N 0.01 -0.46 0.56 6.12 0.00 -1.22 -4.83 105.19 105.37 2hf5 n GLY 96 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.66 1.09 -0.40 1.61 6.94 -1.26 -4.75 115.26 115.84 2hf5 n ASN 97 Ca 0.08 -1.78 -0.05 0.00 -0.02 0.00 0.00 54.58 52.81 2hf5 n ASN 97 Cb 0.49 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.45 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 0.59 3.17 4.83 0.00 -1.26 -5.01 105.19 107.62 2hf5 n GLY 98 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.19 -0.16 -0.41 1.61 2.02 -1.24 -4.88 117.35 112.10 2hf5 s TYR 99 Ca 0.00 0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.95 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 -0.27 0.22 0.42 -1.57 0.00 0.00 175.55 174.35 2hf5 s ILE 100 N -0.80 3.71 0.22 2.71 1.01 -1.22 -4.19 121.20 122.63 2hf5 s ILE 100 Ca -0.09 -1.70 0.05 0.00 0.00 0.00 0.00 60.65 58.91 2hf5 s ILE 100 Cb -0.05 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2hf5 s ILE 100 CO 0.02 -0.56 0.32 -0.44 0.00 0.00 0.00 174.94 174.28 2hf5 s SER 101 N 1.97 6.21 0.14 3.58 0.01 -1.26 -2.59 113.70 121.75 2hf5 s SER 101 Ca 0.04 0.05 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 2hf5 s SER 101 Cb -0.23 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 2hf5 s SER 101 CO -0.01 -0.04 1.64 0.00 0.41 0.00 0.00 173.24 175.24 2hf5 h ALA 102 N 1.43 -0.20 -0.71 1.44 0.00 -1.88 0.35 119.26 119.69 2hf5 h ALA 102 Ca -0.51 0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.60 2hf5 h ALA 102 Cb 1.22 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 19.37 2hf5 h ALA 102 CO 0.62 -0.69 0.15 0.00 0.00 0.00 0.00 179.25 179.33 2hf5 h ALA 103 N 0.68 0.88 -0.21 0.00 0.00 -1.93 -0.82 119.26 117.85 2hf5 h ALA 103 Ca 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2hf5 h ALA 103 Cb 0.45 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2hf5 h ALA 103 CO -0.32 -0.34 0.06 0.93 0.00 0.00 0.00 179.25 179.58 2hf5 h GLU 104 N 0.25 0.33 -1.01 0.00 4.39 -1.52 -2.20 114.58 114.82 2hf5 h GLU 104 Ca 0.39 -0.08 0.11 0.00 0.34 0.00 0.00 59.36 60.12 2hf5 h GLU 104 Cb 0.65 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 2hf5 h GLU 104 CO -0.50 0.44 0.64 1.25 -1.16 0.00 0.00 179.01 179.67 2hf5 h LEU 105 N 0.16 0.95 0.06 1.33 5.85 0.76 -2.13 115.31 122.29 2hf5 h LEU 105 Ca 0.07 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2hf5 h LEU 105 Cb 0.25 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2hf5 h LEU 105 CO -0.00 0.53 -0.03 0.03 -0.34 0.00 0.00 178.44 178.63 2hf5 h ARG 106 N 1.04 -0.07 -0.75 1.25 3.08 -1.10 -2.41 114.38 115.41 2hf5 h ARG 106 Ca 0.48 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.66 2hf5 h ARG 106 Cb 0.42 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2hf5 h ARG 106 CO -0.25 0.16 0.49 1.25 -1.07 0.00 0.00 179.97 180.56 2hf5 h HIS 107 N -1.00 0.61 0.11 3.04 2.76 -1.24 -1.27 115.15 118.15 2hf5 h HIS 107 Ca -0.01 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 57.92 2hf5 h HIS 107 Cb 0.27 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 2hf5 h HIS 107 CO 0.06 0.26 -1.30 -0.24 -1.30 0.00 0.00 177.93 175.41 2hf5 h VAL 108 N 0.55 1.10 0.00 5.26 3.04 -1.53 -3.44 116.25 121.23 2hf5 h VAL 108 Ca 0.36 -2.40 0.00 0.00 -1.01 0.00 0.00 66.70 63.64 2hf5 h VAL 108 Cb 0.63 2.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 2hf5 h VAL 108 CO -0.13 0.68 0.00 0.80 -1.01 0.00 0.00 177.57 177.92 2hf5 n MET 109 N -3.99 0.00 0.00 4.17 0.00 -0.82 -4.94 117.12 111.54 2hf5 n MET 109 Ca -0.24 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2hf5 n MET 109 Cb 0.87 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 33.23 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 -1.23 0.00 -2.35 1.12 -2.24 -0.80 -5.07 114.28 103.71 2hf5 n THR 110 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2hf5 n THR 110 Cb 0.00 -0.40 0.03 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.12 0.35 -4.76 3.42 2.85 -0.55 -4.94 115.26 109.51 2hf5 n ASN 111 Ca 0.00 -1.29 -0.38 0.00 -0.11 0.00 0.00 54.58 52.79 2hf5 n ASN 111 Cb 0.15 -0.16 -0.06 0.00 1.24 0.00 0.00 39.78 40.95 2hf5 n ASN 111 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2hf5 s LEU 112 N 0.00 4.38 0.00 1.20 2.34 -1.26 -2.83 118.68 122.50 2hf5 s LEU 112 Ca 0.17 1.03 0.00 0.00 0.06 0.00 0.00 54.13 55.38 2hf5 s LEU 112 Cb -0.01 -2.81 0.00 0.00 -0.56 0.00 0.00 46.19 42.81 2hf5 s LEU 112 CO 0.11 0.10 0.32 0.61 -1.06 0.00 0.00 176.35 176.42