#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 3.59 0.20 0.00 2.02 -1.26 -4.73 118.70 118.51 2hf5 s GLU 47 Ca 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 54.97 53.72 2hf5 s GLU 47 Cb 0.00 -5.38 0.11 0.00 0.10 0.00 0.00 34.13 28.96 2hf5 s GLU 47 CO 0.00 -2.37 1.47 -0.07 0.02 0.00 0.00 175.26 174.31 2hf5 h LEU 48 N 13.27 0.31 -1.54 1.80 3.38 -2.00 -3.04 115.31 127.49 2hf5 h LEU 48 Ca 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2hf5 h LEU 48 Cb 0.97 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2hf5 h LEU 48 CO 1.42 0.93 0.19 -0.61 0.09 0.00 0.00 178.44 180.45 2hf5 h GLN 49 N 0.17 0.49 0.07 1.13 4.15 -1.98 0.72 115.11 119.85 2hf5 h GLN 49 Ca -0.03 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.37 2hf5 h GLN 49 Cb 1.30 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 2hf5 h GLN 49 CO 0.11 0.38 -0.19 0.22 -1.93 0.00 0.00 178.83 177.42 2hf5 h ASP 50 N 0.50 -0.55 0.30 -0.69 3.58 -1.92 0.34 116.42 117.97 2hf5 h ASP 50 Ca 0.13 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.57 2hf5 h ASP 50 Cb 0.03 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2hf5 h ASP 50 CO -0.02 -0.27 -0.35 -0.03 -2.88 0.00 0.00 179.24 175.69 2hf5 h MET 51 N -0.35 0.08 -0.08 0.28 4.05 -1.41 -2.37 114.93 115.14 2hf5 h MET 51 Ca 0.04 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 2hf5 h MET 51 Cb 0.39 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2hf5 h MET 51 CO -0.13 0.43 0.02 0.82 0.23 0.00 0.00 176.91 178.28 2hf5 h ILE 52 N 0.07 1.18 -0.06 1.77 2.04 -0.34 -0.96 117.51 121.22 2hf5 h ILE 52 Ca 0.01 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.34 2hf5 h ILE 52 Cb 0.66 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2hf5 h ILE 52 CO 0.05 0.15 0.05 0.78 0.00 0.00 0.00 178.15 179.18 2hf5 h ASN 53 N -0.06 0.00 0.08 1.72 -0.26 0.14 0.51 115.58 117.72 2hf5 h ASN 53 Ca 0.03 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.62 2hf5 h ASN 53 Cb 0.22 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2hf5 h ASN 53 CO -0.00 0.00 -0.68 -0.08 -1.06 0.00 0.00 177.43 175.61 2hf5 h GLU 54 N 0.00 0.18 0.03 0.81 4.81 -1.26 -3.39 114.58 115.75 2hf5 h GLU 54 Ca 0.03 -0.31 -0.25 0.00 -0.13 0.00 0.00 59.36 58.70 2hf5 h GLU 54 Cb 0.13 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2hf5 h GLU 54 CO -0.00 1.15 -1.28 0.28 -0.73 0.00 0.00 179.01 178.43 2hf5 h VAL 55 N -0.60 1.40 -0.44 0.32 2.07 -0.61 -3.40 116.25 114.99 2hf5 h VAL 55 Ca -0.14 -3.13 -0.35 0.00 0.82 0.00 0.00 66.70 63.91 2hf5 h VAL 55 Cb 1.44 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.91 2hf5 h VAL 55 CO 0.07 0.82 1.13 -0.67 0.02 0.00 0.00 177.57 178.94 2hf5 n ASP 56 N -3.30 3.06 0.13 0.57 2.03 0.17 -4.72 116.55 114.49 2hf5 n ASP 56 Ca -0.07 -2.70 -0.02 0.00 0.52 0.00 0.00 54.79 52.52 2hf5 n ASP 56 Cb 0.99 -1.72 0.19 0.00 -0.72 0.00 0.00 41.12 39.87 2hf5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hf5 h ALA 57 N 9.61 1.03 0.00 -1.67 0.00 -1.84 -3.27 119.26 123.13 2hf5 h ALA 57 Ca 0.23 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2hf5 h ALA 57 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2hf5 h ALA 57 CO 1.26 0.69 -1.73 -0.40 0.00 0.00 0.00 179.25 179.07 2hf5 n ASP 58 N -3.89 0.38 0.00 0.00 5.75 -1.26 -4.99 116.55 112.54 2hf5 n ASP 58 Ca -0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 2hf5 n ASP 58 Cb 0.57 1.74 0.00 0.00 -1.03 0.00 0.00 41.12 42.40 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 1.35 0.74 0.00 6.12 0.00 -1.23 -4.93 105.19 107.23 2hf5 n GLY 59 Ca -0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.88 115.26 117.67 2hf5 n ASN 60 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 2hf5 n ASN 60 Cb 0.00 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 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 1.23 0.76 3.83 4.83 0.00 -1.26 -5.01 105.19 109.58 2hf5 n GLY 61 Ca 0.15 0.00 -0.07 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 -2.02 0.00 -0.02 2.61 -1.32 -1.26 -4.81 115.64 108.83 2hf5 s THR 62 Ca 0.00 -0.94 -0.14 0.00 -1.21 0.00 0.00 61.69 59.40 2hf5 s THR 62 Cb 0.00 -1.94 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 2hf5 s THR 62 CO 0.00 0.00 0.38 -0.63 -2.21 0.00 0.00 174.62 172.16 2hf5 s ILE 63 N -3.90 5.09 0.53 5.08 1.01 -0.10 -4.69 121.20 124.21 2hf5 s ILE 63 Ca 0.10 0.76 0.05 0.00 0.00 0.00 0.00 60.65 61.57 2hf5 s ILE 63 Cb -0.06 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.76 2hf5 s ILE 63 CO 0.06 0.58 0.31 -0.62 0.00 0.00 0.00 174.94 175.27 2hf5 s ASP 64 N -1.04 4.53 0.14 3.58 2.15 -1.26 -2.80 116.67 121.98 2hf5 s ASP 64 Ca 0.23 -1.30 -0.20 0.00 0.43 0.00 0.00 52.55 51.70 2hf5 s ASP 64 Cb -0.16 0.35 0.01 0.00 -0.30 0.00 0.00 42.92 42.82 2hf5 s ASP 64 CO 0.12 -1.01 1.68 -0.26 -0.17 0.00 0.00 175.17 175.53 2hf5 h PHE 65 N 0.92 -0.27 -0.69 -5.34 -1.00 -1.99 0.27 116.94 108.84 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 1.30 0.15 -0.05 0.00 3.61 0.00 0.00 35.95 40.97 2hf5 h PHE 65 CO 1.05 -0.17 0.41 -1.35 -1.61 0.00 0.00 178.31 176.64 2hf5 h PRO 66 N -0.09 0.76 0.25 1.51 0.11 -2.00 -2.48 132.00 130.08 2hf5 h PRO 66 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2hf5 h PRO 66 Cb 0.27 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.21 2hf5 h PRO 66 CO -0.28 0.51 -0.12 0.93 -0.21 0.00 0.00 178.00 178.82 2hf5 h GLU 67 N 0.79 -0.33 -0.13 1.05 5.08 -1.73 -2.22 114.58 117.09 2hf5 h GLU 67 Ca 0.29 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2hf5 h GLU 67 Cb 0.09 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2hf5 h GLU 67 CO -0.14 -0.14 0.01 0.35 -1.00 0.00 0.00 179.01 178.10 2hf5 h PHE 68 N -0.45 0.02 -0.57 4.33 3.57 -0.42 0.14 116.94 123.56 2hf5 h PHE 68 Ca -0.03 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 2hf5 h PHE 68 Cb 0.34 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2hf5 h PHE 68 CO -0.03 -0.00 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.96 2hf5 h LEU 69 N 0.06 0.97 -0.04 0.59 3.38 -1.49 0.13 115.31 118.92 2hf5 h LEU 69 Ca 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2hf5 h LEU 69 Cb 0.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2hf5 h LEU 69 CO -0.09 1.04 -0.07 0.74 0.09 0.00 0.00 178.44 180.14 2hf5 h THR 70 N 0.91 1.43 -0.17 0.22 2.02 -1.04 -1.82 112.91 114.45 2hf5 h THR 70 Ca 0.16 -1.39 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 2hf5 h THR 70 Cb 0.55 2.27 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2hf5 h THR 70 CO 0.03 0.38 -0.24 0.24 0.37 0.00 0.00 175.52 176.29 2hf5 h MET 71 N -0.41 0.31 0.17 6.66 2.86 -0.70 0.47 114.93 124.30 2hf5 h MET 71 Ca 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2hf5 h MET 71 Cb 0.65 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2hf5 h MET 71 CO 0.02 0.54 -0.08 1.98 1.06 0.00 0.00 176.91 180.43 2hf5 h MET 72 N 0.28 -0.22 0.00 1.72 -1.53 -0.74 -3.08 114.93 111.37 2hf5 h MET 72 Ca 0.04 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 2hf5 h MET 72 Cb 0.59 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.69 2hf5 h MET 72 CO 0.04 -0.15 0.08 0.00 0.14 0.00 0.00 176.91 177.02 2hf5 h ALA 73 N -1.86 1.05 -0.41 0.39 0.00 -1.22 0.30 119.26 117.51 2hf5 h ALA 73 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2hf5 h ALA 73 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2hf5 h ALA 73 CO 0.04 -0.05 -0.10 -0.09 0.00 0.00 0.00 179.25 179.04 2hf5 h ARG 74 N 0.00 0.00 0.00 0.00 2.43 0.05 -3.39 114.38 113.47 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 0.15 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2hf5 h ARG 74 CO 0.00 0.00 -0.63 1.63 -1.51 0.00 0.00 179.97 179.46 2hf5 n LYS 75 N -5.31 0.00 -1.22 0.20 5.02 -1.00 -5.08 118.16 110.78 2hf5 n LYS 75 Ca 0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 2hf5 n LYS 75 Cb 0.22 -0.63 0.14 0.00 -0.02 0.00 0.00 35.03 34.75 2hf5 n LYS 75 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2hf5 n MET 76 N -2.39 -1.10 -1.04 1.97 2.81 0.10 -5.03 117.12 112.45 2hf5 n MET 76 Ca 0.00 -1.38 -0.33 0.00 -1.81 0.00 0.00 57.70 54.18 2hf5 n MET 76 Cb 0.32 -0.96 0.13 0.00 -0.71 0.00 0.00 33.22 31.99 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 -3.05 0.08 -3.75 0.03 0.00 -1.26 -3.92 118.16 106.30 2hf5 n LYS 77 Ca 0.11 0.10 -0.37 0.00 -0.00 0.00 0.00 58.31 58.15 2hf5 n LYS 77 Cb 0.40 -2.38 -0.06 0.00 -0.00 0.00 0.00 35.03 32.99 2hf5 n LYS 77 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2hf5 s ASP 78 N -2.15 6.52 -0.49 -5.58 -4.77 -1.26 -2.98 116.67 105.95 2hf5 s ASP 78 Ca 0.71 0.62 0.04 0.00 -3.30 0.00 0.00 52.55 50.62 2hf5 s ASP 78 Cb -0.28 -2.13 0.12 0.00 -1.09 0.00 0.00 42.92 39.54 2hf5 s ASP 78 CO 0.53 0.37 0.22 -0.89 0.70 0.00 0.00 175.17 176.10 2hf5 s THR 79 N -0.95 2.50 -0.85 2.11 2.01 -1.26 -5.01 115.64 114.20 2hf5 s THR 79 Ca 0.18 -3.13 -0.24 0.00 0.31 0.00 0.00 61.69 58.80 2hf5 s THR 79 Cb -0.13 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 69.67 2hf5 s THR 79 CO 0.07 -0.77 1.27 -0.62 -0.69 0.00 0.00 174.62 173.88 2hf5 s ASP 80 N -0.07 6.33 -0.44 3.53 2.15 -1.26 -4.73 116.67 122.19 2hf5 s ASP 80 Ca 0.16 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 52.11 2hf5 s ASP 80 Cb -0.25 -2.52 0.27 0.00 -0.30 0.00 0.00 42.92 40.12 2hf5 s ASP 80 CO -0.01 -1.57 1.04 -1.20 -0.17 0.00 0.00 175.17 173.25 2hf5 n SER 81 N 8.60 -2.37 -0.22 -0.34 7.64 -1.26 -5.06 113.62 120.61 2hf5 n SER 81 Ca 0.15 -2.98 0.01 0.00 1.01 0.00 0.00 58.87 57.06 2hf5 n SER 81 Cb 0.49 1.58 0.09 0.00 -1.01 0.00 0.00 64.21 65.37 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 3.52 0.05 -0.44 1.43 4.22 -2.00 0.37 114.58 121.73 2hf5 h GLU 82 Ca -0.17 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.18 2hf5 h GLU 82 Cb 1.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2hf5 h GLU 82 CO 0.17 0.03 -0.08 1.05 -2.18 0.00 0.00 179.01 178.00 2hf5 h GLU 83 N 0.05 0.78 -0.35 1.92 4.11 -1.99 -2.82 114.58 116.28 2hf5 h GLU 83 Ca 0.33 -0.25 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 2hf5 h GLU 83 Cb 0.54 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2hf5 h GLU 83 CO -0.62 0.84 -0.17 0.93 0.07 0.00 0.00 179.01 180.06 2hf5 h GLU 84 N 0.71 0.63 -0.10 1.06 4.39 -0.80 -2.17 114.58 118.31 2hf5 h GLU 84 Ca 0.13 -0.22 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 2hf5 h GLU 84 Cb 0.55 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2hf5 h GLU 84 CO 0.03 0.77 -0.60 0.82 -1.16 0.00 0.00 179.01 178.87 2hf5 h ILE 85 N 0.57 1.37 -0.82 3.13 1.08 -0.87 0.30 117.51 122.26 2hf5 h ILE 85 Ca 0.09 -1.95 -0.02 0.00 -0.39 0.00 0.00 64.86 62.60 2hf5 h ILE 85 Cb 0.61 1.95 -0.04 0.00 -3.07 0.00 0.00 36.82 36.27 2hf5 h ILE 85 CO 0.04 0.58 0.43 0.03 -0.69 0.00 0.00 178.15 178.55 2hf5 h ARG 86 N 0.26 1.15 0.00 2.37 3.08 -1.24 0.19 114.38 120.19 2hf5 h ARG 86 Ca -0.01 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 2hf5 h ARG 86 Cb 1.13 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2hf5 h ARG 86 CO 0.10 0.86 -0.40 0.93 -1.07 0.00 0.00 179.97 180.39 2hf5 h GLU 87 N 1.14 0.00 -0.20 0.04 4.39 -0.96 -2.05 114.58 116.94 2hf5 h GLU 87 Ca 0.29 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.91 2hf5 h GLU 87 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2hf5 h GLU 87 CO -0.04 0.40 -0.18 0.00 -1.16 0.00 0.00 179.01 178.03 2hf5 h ALA 88 N 1.60 0.30 -0.94 3.43 0.00 0.50 0.19 119.26 124.33 2hf5 h ALA 88 Ca -0.00 -0.34 0.09 0.00 0.00 0.00 0.00 54.91 54.65 2hf5 h ALA 88 Cb 0.96 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2hf5 h ALA 88 CO 0.05 0.21 0.61 0.74 0.00 0.00 0.00 179.25 180.86 2hf5 h PHE 89 N 0.16 1.07 -0.06 0.00 -1.00 -0.46 0.54 116.94 117.19 2hf5 h PHE 89 Ca 0.04 0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.69 2hf5 h PHE 89 Cb 0.71 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2hf5 h PHE 89 CO 0.08 0.51 -0.65 -0.09 -1.61 0.00 0.00 178.31 176.55 2hf5 h ARG 90 N 1.01 0.25 0.04 1.51 2.43 -1.11 -2.15 114.38 116.36 2hf5 h ARG 90 Ca 0.43 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2hf5 h ARG 90 Cb 0.31 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2hf5 h ARG 90 CO -0.18 0.81 -0.29 0.28 -1.51 0.00 0.00 179.97 179.08 2hf5 h VAL 91 N 0.18 1.67 -0.61 0.20 2.07 0.35 -3.36 116.25 116.75 2hf5 h VAL 91 Ca -0.01 -2.39 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 2hf5 h VAL 91 Cb 1.17 3.27 -0.03 0.00 -1.52 0.00 0.00 31.29 34.19 2hf5 h VAL 91 CO 0.10 0.62 0.22 -0.26 0.02 0.00 0.00 177.57 178.27 2hf5 h PHE 92 N -0.84 0.96 -3.95 1.57 -1.00 -0.07 -3.42 116.94 110.18 2hf5 h PHE 92 Ca -0.06 -0.08 -0.53 0.00 2.81 0.00 0.00 57.97 60.11 2hf5 h PHE 92 Cb 1.18 -0.28 0.09 0.00 3.61 0.00 0.00 35.95 40.55 2hf5 h PHE 92 CO 0.25 0.77 0.62 0.34 -1.61 0.00 0.00 178.31 178.68 2hf5 s ASP 93 N -6.17 6.25 0.09 2.17 -1.08 -0.81 -4.02 116.67 113.10 2hf5 s ASP 93 Ca -0.13 2.67 0.16 0.00 -0.52 0.00 0.00 52.55 54.73 2hf5 s ASP 93 Cb 0.13 -2.64 -0.11 0.00 -1.46 0.00 0.00 42.92 38.84 2hf5 s ASP 93 CO 0.80 -0.89 0.91 0.07 0.52 0.00 0.00 175.17 176.59 2hf5 h LYS 94 N 2.61 0.00 -0.02 4.34 2.10 -1.82 -3.33 116.57 120.46 2hf5 h LYS 94 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2hf5 h LYS 94 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2hf5 h LYS 94 CO 0.62 0.34 -0.14 -0.40 -2.00 0.00 0.00 179.45 177.87 2hf5 n ASP 95 N -2.95 1.97 -3.55 7.07 5.68 -1.26 -5.00 116.55 118.50 2hf5 n ASP 95 Ca -0.08 -1.48 -0.26 0.00 -0.50 0.00 0.00 54.79 52.46 2hf5 n ASP 95 Cb 0.84 0.21 0.02 0.00 -1.14 0.00 0.00 41.12 41.05 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 0.99 -0.50 0.00 6.12 0.00 -1.25 -4.85 105.19 105.70 2hf5 n GLY 96 Ca 0.08 0.14 0.08 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 -2.57 0.00 0.00 1.61 6.94 -1.26 -4.82 115.26 115.16 2hf5 n ASN 97 Ca -0.01 -0.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 2hf5 n ASN 97 Cb 0.55 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 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 0.36 0.85 3.23 4.83 0.00 -1.26 -5.06 105.19 108.14 2hf5 n GLY 98 Ca 0.12 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.20 -0.35 1.61 2.02 -1.26 -4.89 117.35 112.28 2hf5 s TYR 99 Ca 0.00 0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 57.03 2hf5 s TYR 99 Cb 0.00 0.09 0.08 0.00 -0.40 0.00 0.00 41.96 41.73 2hf5 s TYR 99 CO 0.00 -0.35 0.10 0.42 -1.57 0.00 0.00 175.55 174.16 2hf5 s ILE 100 N -1.05 3.21 0.55 2.71 1.01 -1.12 -4.47 121.20 122.04 2hf5 s ILE 100 Ca -0.11 -1.66 0.06 0.00 0.00 0.00 0.00 60.65 58.93 2hf5 s ILE 100 Cb -0.05 -3.01 0.05 0.00 0.01 0.00 0.00 42.46 39.46 2hf5 s ILE 100 CO 0.03 -0.38 0.44 -0.55 0.00 0.00 0.00 174.94 174.48 2hf5 s SER 101 N 1.51 4.66 0.05 3.58 0.15 -1.26 -0.92 113.70 121.47 2hf5 s SER 101 Ca 0.01 -1.23 -0.28 0.00 0.70 0.00 0.00 55.95 55.15 2hf5 s SER 101 Cb -0.21 0.45 -0.17 0.00 -1.71 0.00 0.00 66.02 64.38 2hf5 s SER 101 CO -0.02 -1.15 1.52 0.00 1.20 0.00 0.00 173.24 174.79 2hf5 h ALA 102 N 0.69 -0.52 -0.76 5.45 0.00 -1.87 0.27 119.26 122.52 2hf5 h ALA 102 Ca -0.36 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.57 2hf5 h ALA 102 Cb 1.30 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 2hf5 h ALA 102 CO 0.56 -0.73 0.19 0.00 0.00 0.00 0.00 179.25 179.26 2hf5 h ALA 103 N -0.07 1.00 -0.18 0.00 0.00 -1.97 0.17 119.26 118.20 2hf5 h ALA 103 Ca -0.05 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2hf5 h ALA 103 Cb 0.47 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2hf5 h ALA 103 CO 0.09 -0.35 0.11 0.93 0.00 0.00 0.00 179.25 180.03 2hf5 h GLU 104 N 0.27 0.25 -0.29 0.00 4.39 -1.76 -2.52 114.58 114.93 2hf5 h GLU 104 Ca 0.43 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.17 2hf5 h GLU 104 Cb 0.75 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.30 2hf5 h GLU 104 CO -0.52 0.22 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.41 2hf5 h LEU 105 N 0.21 -0.25 -0.28 1.33 3.38 0.13 -2.07 115.31 117.75 2hf5 h LEU 105 Ca 0.07 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2hf5 h LEU 105 Cb 0.04 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2hf5 h LEU 105 CO -0.01 -0.09 0.02 0.03 0.09 0.00 0.00 178.44 178.49 2hf5 h ARG 106 N 0.01 0.47 -0.89 1.13 3.08 -0.97 0.51 114.38 117.71 2hf5 h ARG 106 Ca 0.14 -0.14 0.19 0.00 0.07 0.00 0.00 59.98 60.24 2hf5 h ARG 106 Cb 0.21 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.10 2hf5 h ARG 106 CO -0.29 0.61 0.44 1.25 -1.07 0.00 0.00 179.97 180.91 2hf5 h HIS 107 N 0.27 0.75 0.08 3.04 2.76 -0.98 0.54 115.15 121.61 2hf5 h HIS 107 Ca 0.08 0.04 -0.30 0.00 -2.20 0.00 0.00 60.37 57.99 2hf5 h HIS 107 Cb 0.38 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2hf5 h HIS 107 CO 0.03 0.07 -1.55 -0.24 -1.30 0.00 0.00 177.93 174.94 2hf5 h VAL 108 N 0.53 1.10 0.00 5.26 3.04 -1.02 -3.30 116.25 121.86 2hf5 h VAL 108 Ca 0.53 -2.81 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 2hf5 h VAL 108 Cb 0.90 2.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.84 2hf5 h VAL 108 CO -0.45 0.77 0.00 0.80 -1.01 0.00 0.00 177.57 177.68 2hf5 n MET 109 N -3.34 0.00 0.00 4.17 0.00 0.17 -4.83 117.12 113.29 2hf5 n MET 109 Ca -0.16 0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.81 2hf5 n MET 109 Cb 1.03 -0.83 0.00 0.00 0.00 0.00 0.00 33.22 33.42 2hf5 n MET 109 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2hf5 n THR 110 N -1.30 0.00 -2.49 1.12 5.66 -0.82 -5.05 114.28 111.39 2hf5 n THR 110 Ca 0.00 -0.17 -0.08 0.00 -3.05 0.00 0.00 64.05 60.75 2hf5 n THR 110 Cb 0.00 0.98 0.04 0.00 -1.55 0.00 0.00 70.33 69.80 2hf5 n THR 110 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2hf5 n ASN 111 N -0.35 0.54 -4.68 1.09 4.05 0.18 -4.97 115.26 111.12 2hf5 n ASN 111 Ca 0.00 -1.44 -0.58 0.00 0.45 0.00 0.00 54.58 53.01 2hf5 n ASN 111 Cb 0.00 -0.22 -0.07 0.00 1.23 0.00 0.00 39.78 40.72 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2hf5 n LEU 112 N 0.00 1.94 0.00 1.20 -0.00 -1.26 -4.58 117.00 114.30 2hf5 n LEU 112 Ca 0.06 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.17 2hf5 n LEU 112 Cb 0.21 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 2hf5 n LEU 112 CO 0.14 -0.69 0.07 0.61 -0.00 0.00 0.00 177.39 177.53