#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 3.92 0.00 0.00 1.03 -1.26 -4.92 118.70 117.47 2hf5 s GLU 47 Ca 0.00 0.72 0.05 0.00 0.03 0.00 0.00 54.97 55.77 2hf5 s GLU 47 Cb 0.00 -3.78 0.30 0.00 -0.80 0.00 0.00 34.13 29.86 2hf5 s GLU 47 CO 0.00 -0.92 0.70 1.28 -1.33 0.00 0.00 175.26 175.00 2hf5 n LEU 48 N 6.77 0.00 0.20 1.83 4.77 -1.26 -3.14 117.00 126.17 2hf5 n LEU 48 Ca 0.08 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.22 2hf5 n LEU 48 Cb 0.48 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.37 2hf5 n LEU 48 CO 0.58 0.00 1.14 1.56 -1.33 0.00 0.00 177.39 179.34 2hf5 h GLN 49 N 0.00 0.00 0.18 3.23 1.08 -1.98 -1.31 115.11 116.31 2hf5 h GLN 49 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2hf5 h GLN 49 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2hf5 h GLN 49 CO 0.00 0.00 -0.09 0.38 -0.95 0.00 0.00 178.83 178.17 2hf5 h ASP 50 N 0.00 -0.20 0.66 1.46 2.03 -1.97 0.24 116.42 118.64 2hf5 h ASP 50 Ca 0.08 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.30 2hf5 h ASP 50 Cb 0.40 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 2hf5 h ASP 50 CO -0.00 -0.14 -0.38 -0.03 -1.03 0.00 0.00 179.24 177.66 2hf5 h MET 51 N -0.25 0.00 -0.68 4.15 -1.53 -1.67 -1.52 114.93 113.43 2hf5 h MET 51 Ca -0.02 0.00 -0.08 0.00 -3.44 0.00 0.00 59.70 56.15 2hf5 h MET 51 Cb 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 2hf5 h MET 51 CO 0.04 0.38 0.11 0.82 0.14 0.00 0.00 176.91 178.39 2hf5 h ILE 52 N 0.00 1.27 0.00 1.77 2.04 -0.77 -2.42 117.51 119.40 2hf5 h ILE 52 Ca -0.00 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2hf5 h ILE 52 Cb 0.81 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2hf5 h ILE 52 CO 0.05 0.40 0.00 0.78 0.00 0.00 0.00 178.15 179.38 2hf5 h ASN 53 N 1.05 0.00 1.43 1.72 -0.26 0.12 0.17 115.58 119.81 2hf5 h ASN 53 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2hf5 h ASN 53 Cb 0.45 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2hf5 h ASN 53 CO 0.01 0.00 -0.13 -0.33 -1.06 0.00 0.00 177.43 175.93 2hf5 h GLU 54 N 0.00 0.00 0.00 0.81 4.39 -0.83 -3.38 114.58 115.57 2hf5 h GLU 54 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2hf5 h GLU 54 Cb 0.67 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2hf5 h GLU 54 CO 0.00 0.00 -1.56 0.28 -1.16 0.00 0.00 179.01 176.57 2hf5 n VAL 55 N -2.35 0.56 -1.68 3.13 0.31 -0.81 -4.87 118.33 112.62 2hf5 n VAL 55 Ca 0.05 -0.34 -0.19 0.00 -0.01 0.00 0.00 64.34 63.85 2hf5 n VAL 55 Cb 0.45 -0.79 -0.10 0.00 -0.91 0.00 0.00 33.84 32.49 2hf5 n VAL 55 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2hf5 n ASP 56 N -2.33 1.81 0.08 4.52 5.75 -0.01 -4.67 116.55 121.69 2hf5 n ASP 56 Ca -0.14 -2.55 -0.05 0.00 -0.01 0.00 0.00 54.79 52.04 2hf5 n ASP 56 Cb 0.76 -1.70 0.11 0.00 -1.03 0.00 0.00 41.12 39.26 2hf5 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hf5 h ALA 57 N 11.07 0.82 0.00 2.12 0.00 -1.89 -2.28 119.26 129.10 2hf5 h ALA 57 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2hf5 h ALA 57 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2hf5 h ALA 57 CO 1.10 0.73 -0.63 -0.44 0.00 0.00 0.00 179.25 180.01 2hf5 h ASP 58 N 0.19 0.00 -0.00 0.00 3.32 -1.88 -3.47 116.42 114.57 2hf5 h ASP 58 Ca -0.01 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2hf5 h ASP 58 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 2hf5 h ASP 58 CO 0.10 0.04 -0.00 0.61 -1.72 0.00 0.00 179.24 178.27 2hf5 n GLY 59 N 1.24 0.49 0.10 2.75 0.00 -0.86 -4.91 105.19 104.00 2hf5 n GLY 59 Ca 0.02 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.17 0.30 0.00 1.61 6.94 -1.26 -4.88 115.26 118.14 2hf5 n ASN 60 Ca -0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.36 2hf5 n ASN 60 Cb 0.01 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.98 0.82 3.22 4.83 0.00 -1.26 -4.96 105.19 108.82 2hf5 n GLY 61 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.22 0.05 0.33 2.61 -1.32 -1.26 -4.66 115.64 108.17 2hf5 s THR 62 Ca 0.00 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 2hf5 s THR 62 Cb 0.00 -0.56 -0.09 0.00 -1.51 0.00 0.00 72.50 70.33 2hf5 s THR 62 CO 0.00 -0.23 1.00 -0.51 -2.21 0.00 0.00 174.62 172.67 2hf5 s ILE 63 N -1.09 3.94 0.49 5.08 2.07 0.14 -4.79 121.20 127.04 2hf5 s ILE 63 Ca -0.11 1.65 0.05 0.00 -1.41 0.00 0.00 60.65 60.82 2hf5 s ILE 63 Cb -0.05 -3.93 -0.01 0.00 0.13 0.00 0.00 42.46 38.60 2hf5 s ILE 63 CO 0.03 0.16 0.23 -1.81 -1.91 0.00 0.00 174.94 171.65 2hf5 s ASP 64 N -1.46 4.45 0.13 4.50 1.11 -1.26 -3.23 116.67 120.91 2hf5 s ASP 64 Ca 0.51 -1.28 -0.21 0.00 0.18 0.00 0.00 52.55 51.75 2hf5 s ASP 64 Cb -0.22 0.13 -0.03 0.00 1.07 0.00 0.00 42.92 43.87 2hf5 s ASP 64 CO 0.28 -0.85 1.70 -0.26 1.18 0.00 0.00 175.17 177.22 2hf5 h PHE 65 N 1.13 -0.17 -0.38 4.23 -1.00 -1.97 0.28 116.94 119.05 2hf5 h PHE 65 Ca -0.41 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.46 2hf5 h PHE 65 Cb 1.29 0.10 -0.06 0.00 3.61 0.00 0.00 35.95 40.89 2hf5 h PHE 65 CO 0.99 -0.12 -0.00 -1.00 -1.61 0.00 0.00 178.31 176.57 2hf5 h PRO 66 N -0.05 0.09 0.08 1.51 0.13 -1.99 -1.40 132.00 130.37 2hf5 h PRO 66 Ca 0.09 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2hf5 h PRO 66 Cb 0.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2hf5 h PRO 66 CO -0.21 0.06 -0.04 0.93 -0.23 0.00 0.00 178.00 178.52 2hf5 h GLU 67 N 0.10 -0.10 -0.41 0.86 5.08 -1.85 -1.83 114.58 116.42 2hf5 h GLU 67 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2hf5 h GLU 67 Cb 0.26 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2hf5 h GLU 67 CO -0.31 0.16 0.24 0.35 -1.00 0.00 0.00 179.01 178.44 2hf5 h PHE 68 N -0.35 0.45 -0.82 4.33 3.57 -0.38 0.26 116.94 124.00 2hf5 h PHE 68 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2hf5 h PHE 68 Cb 0.30 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 2hf5 h PHE 68 CO 0.01 0.26 0.43 -0.07 -2.23 0.00 0.00 178.31 176.71 2hf5 h LEU 69 N 0.48 1.04 -0.23 0.59 3.38 -1.28 0.22 115.31 119.51 2hf5 h LEU 69 Ca 0.17 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2hf5 h LEU 69 Cb 0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2hf5 h LEU 69 CO -0.08 0.85 -0.22 0.74 0.09 0.00 0.00 178.44 179.82 2hf5 h THR 70 N 1.14 1.32 -0.22 0.22 2.02 -0.41 0.33 112.91 117.31 2hf5 h THR 70 Ca 0.29 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.01 2hf5 h THR 70 Cb 0.06 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2hf5 h THR 70 CO -0.04 0.43 -0.18 0.24 0.37 0.00 0.00 175.52 176.33 2hf5 h MET 71 N 0.26 0.39 0.00 6.66 2.86 -0.36 0.39 114.93 125.13 2hf5 h MET 71 Ca 0.04 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2hf5 h MET 71 Cb 0.78 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2hf5 h MET 71 CO 0.06 0.57 -0.36 1.98 1.06 0.00 0.00 176.91 180.22 2hf5 h MET 72 N 0.36 0.00 0.00 1.72 -1.53 -0.38 -3.00 114.93 112.10 2hf5 h MET 72 Ca 0.06 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 2hf5 h MET 72 Cb 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.58 2hf5 h MET 72 CO 0.03 0.36 -0.47 0.00 0.14 0.00 0.00 176.91 176.97 2hf5 h ALA 73 N 1.64 0.76 -0.57 0.39 0.00 0.86 -3.26 119.26 119.09 2hf5 h ALA 73 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2hf5 h ALA 73 Cb 1.05 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 2hf5 h ALA 73 CO 0.05 0.00 -0.23 -0.09 0.00 0.00 0.00 179.25 178.98 2hf5 h ARG 74 N 0.00 -0.08 0.00 0.00 2.43 -0.12 -3.36 114.38 113.25 2hf5 h ARG 74 Ca 0.00 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2hf5 h ARG 74 Cb 0.95 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 2hf5 h ARG 74 CO 0.00 -0.05 -1.19 1.63 -1.51 0.00 0.00 179.97 178.85 2hf5 n LYS 75 N -5.43 0.25 -3.84 0.20 5.02 -1.26 -4.97 118.16 108.13 2hf5 n LYS 75 Ca 0.06 0.10 -0.36 0.00 -2.02 0.00 0.00 58.31 56.09 2hf5 n LYS 75 Cb 0.33 -0.92 -0.13 0.00 -0.02 0.00 0.00 35.03 34.30 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2hf5 s MET 76 N -2.29 2.27 -0.24 1.97 -1.94 -1.23 -5.06 119.30 112.78 2hf5 s MET 76 Ca -0.15 -1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 52.33 2hf5 s MET 76 Cb 0.05 -3.38 0.02 0.00 2.01 0.00 0.00 34.83 33.53 2hf5 s MET 76 CO 0.20 -0.81 -0.08 0.21 -0.01 0.00 0.00 175.02 174.53 2hf5 s LYS 77 N 1.22 2.86 0.00 2.03 2.47 -1.26 -4.36 119.74 122.70 2hf5 s LYS 77 Ca 0.01 -0.95 0.00 0.00 -1.56 0.00 0.00 55.97 53.47 2hf5 s LYS 77 Cb -0.21 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 2hf5 s LYS 77 CO -0.02 -0.37 0.00 -3.47 0.16 0.00 0.00 175.35 171.65 2hf5 n ASP 78 N 4.66 0.00 -4.67 1.43 2.03 -1.26 -5.09 116.55 113.65 2hf5 n ASP 78 Ca -0.17 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.71 2hf5 n ASP 78 Cb 0.47 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 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 -1.42 0.72 -4.06 5.18 -1.04 -1.26 -4.96 114.28 107.44 2hf5 n THR 79 Ca 0.00 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.05 61.56 2hf5 n THR 79 Cb 0.00 -2.22 -0.15 0.00 -1.82 0.00 0.00 70.33 66.14 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 4.31 4.53 -0.44 8.00 -1.08 -1.26 -5.01 116.67 125.72 2hf5 s ASP 80 Ca 0.89 -1.56 0.05 0.00 -0.52 0.00 0.00 52.55 51.42 2hf5 s ASP 80 Cb -0.49 -1.57 0.28 0.00 -1.46 0.00 0.00 42.92 39.68 2hf5 s ASP 80 CO 0.44 -0.23 1.06 -1.20 0.52 0.00 0.00 175.17 175.75 2hf5 n SER 81 N 4.40 -2.36 -0.10 -0.34 7.64 -1.26 -5.03 113.62 116.57 2hf5 n SER 81 Ca -0.10 -3.09 -0.06 0.00 1.01 0.00 0.00 58.87 56.63 2hf5 n SER 81 Cb 0.42 1.65 0.01 0.00 -1.01 0.00 0.00 64.21 65.28 2hf5 n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2hf5 h GLU 82 N 3.41 0.03 -0.70 1.43 4.81 -1.98 0.44 114.58 122.02 2hf5 h GLU 82 Ca -0.16 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 2hf5 h GLU 82 Cb 1.09 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2hf5 h GLU 82 CO 0.17 0.02 0.40 1.05 -0.73 0.00 0.00 179.01 179.91 2hf5 h GLU 83 N 0.03 0.95 -0.39 1.92 9.09 -1.99 -0.19 114.58 124.01 2hf5 h GLU 83 Ca 0.17 -0.09 -0.11 0.00 0.05 0.00 0.00 59.36 59.38 2hf5 h GLU 83 Cb 0.25 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.14 2hf5 h GLU 83 CO -0.33 0.69 -0.19 0.93 0.05 0.00 0.00 179.01 180.16 2hf5 h GLU 84 N 0.96 0.74 -0.56 1.06 5.08 -1.47 0.23 114.58 120.62 2hf5 h GLU 84 Ca 0.25 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2hf5 h GLU 84 Cb -0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2hf5 h GLU 84 CO -0.04 0.88 0.06 0.82 -1.00 0.00 0.00 179.01 179.72 2hf5 h ILE 85 N 0.66 1.25 -0.46 3.13 1.08 0.59 0.28 117.51 124.03 2hf5 h ILE 85 Ca 0.10 -1.00 -0.09 0.00 -0.39 0.00 0.00 64.86 63.48 2hf5 h ILE 85 Cb 0.68 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2hf5 h ILE 85 CO 0.05 0.36 -0.05 0.03 -0.69 0.00 0.00 178.15 177.85 2hf5 h ARG 86 N 0.87 0.85 -0.70 2.37 3.08 -0.72 0.10 114.38 120.23 2hf5 h ARG 86 Ca 0.17 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2hf5 h ARG 86 Cb 0.43 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2hf5 h ARG 86 CO 0.01 0.93 0.45 1.49 -1.07 0.00 0.00 179.97 181.79 2hf5 h GLU 87 N 0.70 0.93 -0.85 0.04 4.22 -0.58 -2.11 114.58 116.92 2hf5 h GLU 87 Ca 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 2hf5 h GLU 87 Cb 0.58 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2hf5 h GLU 87 CO 0.03 0.63 0.47 0.00 -2.18 0.00 0.00 179.01 177.96 2hf5 h ALA 88 N 1.25 1.09 -0.53 2.92 0.00 -0.07 -0.97 119.26 122.95 2hf5 h ALA 88 Ca 0.26 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2hf5 h ALA 88 Cb -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 2hf5 h ALA 88 CO -0.05 0.60 0.35 0.74 0.00 0.00 0.00 179.25 180.88 2hf5 h PHE 89 N 1.19 0.53 -0.22 0.00 -1.00 -0.36 0.51 116.94 117.58 2hf5 h PHE 89 Ca 0.30 0.01 -0.19 0.00 2.81 0.00 0.00 57.97 60.90 2hf5 h PHE 89 Cb 0.02 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.40 2hf5 h PHE 89 CO 0.01 0.30 -0.61 0.00 -1.61 0.00 0.00 178.31 176.39 2hf5 h ARG 90 N 0.54 0.77 -0.02 1.51 3.08 -0.65 -3.31 114.38 116.29 2hf5 h ARG 90 Ca 0.22 -0.52 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 2hf5 h ARG 90 Cb 0.19 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.33 2hf5 h ARG 90 CO -0.06 1.15 -0.47 0.28 -1.07 0.00 0.00 179.97 179.80 2hf5 h VAL 91 N 0.57 1.45 0.00 2.04 2.07 0.05 -3.22 116.25 119.20 2hf5 h VAL 91 Ca -0.01 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2hf5 h VAL 91 Cb 1.21 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 2hf5 h VAL 91 CO 0.13 0.56 0.00 0.49 0.02 0.00 0.00 177.57 178.77 2hf5 n PHE 92 N -4.32 0.00 -4.94 1.57 3.72 0.17 -4.72 117.46 108.95 2hf5 n PHE 92 Ca -0.10 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.04 2hf5 n PHE 92 Cb 0.60 -0.06 -0.16 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.44 2.26 0.19 4.37 -1.08 -1.22 -3.30 116.67 117.46 2hf5 s ASP 93 Ca 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 2hf5 s ASP 93 Cb 0.00 -0.27 0.12 0.00 -1.46 0.00 0.00 42.92 41.30 2hf5 s ASP 93 CO 0.00 0.23 1.48 0.11 0.52 0.00 0.00 175.17 177.51 2hf5 h LYS 94 N 5.69 0.36 -0.02 4.34 1.57 -1.85 -3.27 116.57 123.40 2hf5 h LYS 94 Ca -0.38 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 2hf5 h LYS 94 Cb 1.14 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2hf5 h LYS 94 CO 0.48 0.91 0.00 -0.40 -0.57 0.00 0.00 179.45 179.87 2hf5 n ASP 95 N -3.85 2.15 -4.32 0.86 5.68 -1.26 -5.02 116.55 110.79 2hf5 n ASP 95 Ca -0.04 -2.29 -0.35 0.00 -0.50 0.00 0.00 54.79 51.62 2hf5 n ASP 95 Cb 0.67 -0.13 -0.07 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.70 -0.27 0.00 6.12 0.00 -1.24 -4.82 105.19 104.28 2hf5 n GLY 96 Ca 0.05 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.74 0.00 0.00 1.61 6.94 -1.26 -4.83 115.26 114.98 2hf5 n ASN 97 Ca -0.13 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.01 2hf5 n ASN 97 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 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 0.66 0.82 3.27 4.83 0.00 -1.26 -5.06 105.19 108.45 2hf5 n GLY 98 Ca 0.11 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.34 -0.40 1.61 2.02 -1.26 -4.94 117.35 112.03 2hf5 s TYR 99 Ca 0.00 0.75 -0.07 0.00 -0.37 0.00 0.00 57.07 57.38 2hf5 s TYR 99 Cb 0.00 0.14 0.09 0.00 -0.40 0.00 0.00 41.96 41.78 2hf5 s TYR 99 CO 0.00 -0.29 0.22 0.42 -1.57 0.00 0.00 175.55 174.32 2hf5 s ILE 100 N -0.44 3.81 0.51 2.71 1.01 -1.20 -4.65 121.20 122.96 2hf5 s ILE 100 Ca -0.06 -1.59 0.06 0.00 0.00 0.00 0.00 60.65 59.06 2hf5 s ILE 100 Cb -0.04 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 39.10 2hf5 s ILE 100 CO 0.02 -0.52 0.51 -0.24 0.00 0.00 0.00 174.94 174.72 2hf5 n SER 101 N 4.79 2.34 0.14 3.58 2.88 -1.26 -0.69 113.62 125.41 2hf5 n SER 101 Ca -0.08 -2.60 -0.13 0.00 -1.33 0.00 0.00 58.87 54.73 2hf5 n SER 101 Cb 0.42 -0.17 -0.08 0.00 -0.75 0.00 0.00 64.21 63.63 2hf5 n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hf5 h ALA 102 N 0.48 -0.39 -0.81 -1.46 0.00 -1.85 0.16 119.26 115.38 2hf5 h ALA 102 Ca -0.29 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.59 2hf5 h ALA 102 Cb 1.15 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 2hf5 h ALA 102 CO 0.44 -0.51 0.34 0.00 0.00 0.00 0.00 179.25 179.52 2hf5 h ALA 103 N -0.29 1.19 0.12 0.00 0.00 -1.86 0.16 119.26 118.59 2hf5 h ALA 103 Ca -0.04 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2hf5 h ALA 103 Cb 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2hf5 h ALA 103 CO 0.07 -0.23 -0.17 0.93 0.00 0.00 0.00 179.25 179.85 2hf5 h GLU 104 N 0.46 -0.34 0.01 0.00 4.39 -1.79 -2.09 114.58 115.22 2hf5 h GLU 104 Ca 0.46 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.19 2hf5 h GLU 104 Cb 0.75 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2hf5 h GLU 104 CO -0.44 -0.22 -0.03 1.25 -1.16 0.00 0.00 179.01 178.41 2hf5 h LEU 105 N -0.35 -0.08 0.63 1.33 5.85 0.81 -2.39 115.31 121.12 2hf5 h LEU 105 Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2hf5 h LEU 105 Cb 0.35 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.42 2hf5 h LEU 105 CO -0.08 -0.05 -0.30 0.03 -0.34 0.00 0.00 178.44 177.70 2hf5 h ARG 106 N -0.06 -0.82 -0.97 1.25 3.08 -0.69 0.54 114.38 116.71 2hf5 h ARG 106 Ca 0.01 0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.31 2hf5 h ARG 106 Cb 0.07 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.19 2hf5 h ARG 106 CO -0.02 -0.51 0.56 1.25 -1.07 0.00 0.00 179.97 180.18 2hf5 h HIS 107 N -0.96 0.98 0.15 3.04 2.76 -1.10 -0.28 115.15 119.74 2hf5 h HIS 107 Ca -0.09 0.04 -0.34 0.00 -2.20 0.00 0.00 60.37 57.77 2hf5 h HIS 107 Cb 0.69 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 2hf5 h HIS 107 CO -0.01 0.17 -1.77 -0.24 -1.30 0.00 0.00 177.93 174.78 2hf5 h VAL 108 N 0.68 0.89 0.00 5.26 3.04 -1.28 -3.43 116.25 121.41 2hf5 h VAL 108 Ca 0.57 -2.53 0.00 0.00 -1.01 0.00 0.00 66.70 63.73 2hf5 h VAL 108 Cb 0.93 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.89 2hf5 h VAL 108 CO -0.41 0.84 0.00 0.80 -1.01 0.00 0.00 177.57 177.80 2hf5 n MET 109 N -3.51 0.00 0.00 4.17 0.00 0.19 -4.90 117.12 113.07 2hf5 n MET 109 Ca -0.25 0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.78 2hf5 n MET 109 Cb 1.06 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 33.20 2hf5 n MET 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2hf5 n THR 110 N -1.48 0.00 -3.35 1.12 -1.04 -0.72 -5.06 114.28 103.75 2hf5 n THR 110 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2hf5 n THR 110 Cb 0.00 -0.37 0.01 0.00 -1.82 0.00 0.00 70.33 68.15 2hf5 n THR 110 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2hf5 n ASN 111 N -2.08 1.07 -4.76 8.00 4.13 -0.20 -4.96 115.26 116.47 2hf5 n ASN 111 Ca 0.00 -1.46 -0.40 0.00 1.68 0.00 0.00 54.58 54.40 2hf5 n ASN 111 Cb 0.14 -0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.27 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2hf5 s LEU 112 N 0.00 4.59 0.00 3.41 1.43 -1.26 -2.57 118.68 124.28 2hf5 s LEU 112 Ca 0.12 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 2hf5 s LEU 112 Cb -0.01 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2hf5 s LEU 112 CO 0.07 0.03 0.18 0.61 0.23 0.00 0.00 176.35 177.48