#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 4.32 0.53 0.00 0.41 -1.26 -4.95 118.70 117.75 2hf5 s GLU 47 Ca 0.00 0.94 0.31 0.00 -0.41 0.00 0.00 54.97 55.81 2hf5 s GLU 47 Cb 0.00 -2.97 1.29 0.00 -1.78 0.00 0.00 34.13 30.66 2hf5 s GLU 47 CO 0.00 0.44 1.96 -0.07 -0.49 0.00 0.00 175.26 177.10 2hf5 h LEU 48 N 3.66 0.00 -0.43 1.80 3.38 -2.00 -2.17 115.31 119.55 2hf5 h LEU 48 Ca -0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2hf5 h LEU 48 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2hf5 h LEU 48 CO 0.65 0.05 -0.20 -0.61 0.09 0.00 0.00 178.44 178.42 2hf5 h GLN 49 N 0.00 0.89 -0.55 1.13 5.75 -1.99 -2.40 115.11 117.93 2hf5 h GLN 49 Ca -0.00 -0.39 -0.06 0.00 -0.15 0.00 0.00 58.65 58.05 2hf5 h GLN 49 Cb 0.55 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 2hf5 h GLN 49 CO 0.01 1.04 0.11 -0.44 -2.65 0.00 0.00 178.83 176.90 2hf5 h ASP 50 N 0.72 0.81 0.20 -0.69 3.32 -1.80 -1.17 116.42 117.82 2hf5 h ASP 50 Ca 0.10 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 2hf5 h ASP 50 Cb 0.77 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2hf5 h ASP 50 CO 0.06 0.81 -0.31 -0.03 -1.72 0.00 0.00 179.24 178.05 2hf5 h MET 51 N 0.83 0.17 -0.26 3.56 4.05 -1.44 -1.18 114.93 120.67 2hf5 h MET 51 Ca 0.18 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 2hf5 h MET 51 Cb 0.33 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2hf5 h MET 51 CO 0.00 0.47 0.10 0.82 0.23 0.00 0.00 176.91 178.54 2hf5 h ILE 52 N 0.15 1.18 0.00 1.77 2.04 -0.76 -2.40 117.51 119.49 2hf5 h ILE 52 Ca 0.02 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2hf5 h ILE 52 Cb 0.63 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2hf5 h ILE 52 CO 0.05 0.18 -0.15 0.78 0.00 0.00 0.00 178.15 179.00 2hf5 h ASN 53 N 0.26 0.00 0.36 1.72 -0.26 -0.60 0.38 115.58 117.45 2hf5 h ASN 53 Ca 0.09 0.00 -0.24 0.00 -0.56 0.00 0.00 56.30 55.59 2hf5 h ASN 53 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 2hf5 h ASN 53 CO -0.01 0.15 -1.00 -0.08 -1.06 0.00 0.00 177.43 175.43 2hf5 h GLU 54 N 0.00 0.41 0.00 0.81 4.57 -1.02 -3.37 114.58 115.97 2hf5 h GLU 54 Ca -0.00 -0.47 -0.35 0.00 -1.18 0.00 0.00 59.36 57.35 2hf5 h GLU 54 Cb 0.44 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 2hf5 h GLU 54 CO 0.02 1.14 -2.23 1.55 -1.18 0.00 0.00 179.01 178.31 2hf5 n VAL 55 N -3.72 1.46 -2.13 0.32 3.14 -0.68 -4.74 118.33 111.99 2hf5 n VAL 55 Ca -0.07 -0.82 -0.30 0.00 -2.96 0.00 0.00 64.34 60.19 2hf5 n VAL 55 Cb 0.87 -0.70 -0.05 0.00 -1.06 0.00 0.00 33.84 32.90 2hf5 n VAL 55 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2hf5 s ASP 56 N -5.75 5.25 0.08 6.55 2.15 0.12 -4.71 116.67 120.36 2hf5 s ASP 56 Ca -0.11 -1.60 -0.13 0.00 0.43 0.00 0.00 52.55 51.14 2hf5 s ASP 56 Cb 0.07 -2.58 -0.22 0.00 -0.30 0.00 0.00 42.92 39.88 2hf5 s ASP 56 CO 0.81 -2.82 1.20 0.00 -0.17 0.00 0.00 175.17 174.19 2hf5 h ALA 57 N 9.73 0.15 0.00 3.66 0.00 -1.85 -3.33 119.26 127.62 2hf5 h ALA 57 Ca 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2hf5 h ALA 57 Cb 0.94 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2hf5 h ALA 57 CO 1.25 0.71 -0.99 -0.40 0.00 0.00 0.00 179.25 179.81 2hf5 n ASP 58 N -3.83 0.82 0.00 0.00 5.75 -1.26 -4.97 116.55 113.06 2hf5 n ASP 58 Ca -0.11 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 2hf5 n ASP 58 Cb 0.89 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 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 1.20 0.86 0.00 6.12 0.00 -1.25 -4.95 105.19 107.16 2hf5 n GLY 59 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.05 0.00 1.61 0.23 -1.26 -4.90 115.26 110.99 2hf5 n ASN 60 Ca 0.00 0.28 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 2hf5 n ASN 60 Cb 0.00 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 2hf5 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hf5 n GLY 61 N 1.45 0.84 3.42 4.83 0.00 -1.26 -5.05 105.19 109.41 2hf5 n GLY 61 Ca 0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 0.31 2.61 -1.32 -1.26 -4.78 115.64 109.20 2hf5 s THR 62 Ca 0.00 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.12 2hf5 s THR 62 Cb 0.00 -1.05 -0.10 0.00 -1.51 0.00 0.00 72.50 69.84 2hf5 s THR 62 CO 0.00 -0.04 0.92 -0.51 -2.21 0.00 0.00 174.62 172.79 2hf5 s ILE 63 N -3.76 4.23 0.52 5.08 2.07 0.25 -4.67 121.20 124.92 2hf5 s ILE 63 Ca 0.02 1.80 0.03 0.00 -1.41 0.00 0.00 60.65 61.08 2hf5 s ILE 63 Cb -0.01 -4.02 0.01 0.00 0.13 0.00 0.00 42.46 38.57 2hf5 s ILE 63 CO -0.12 0.18 0.18 -1.81 -1.91 0.00 0.00 174.94 171.46 2hf5 s ASP 64 N -1.59 4.36 0.09 4.50 1.11 -1.26 -3.25 116.67 120.64 2hf5 s ASP 64 Ca 0.49 -1.45 -0.25 0.00 0.18 0.00 0.00 52.55 51.52 2hf5 s ASP 64 Cb -0.19 0.42 -0.13 0.00 1.07 0.00 0.00 42.92 44.09 2hf5 s ASP 64 CO 0.24 -0.94 1.70 -0.26 1.18 0.00 0.00 175.17 177.09 2hf5 h PHE 65 N 1.10 -0.24 -0.38 4.23 0.04 -1.97 0.39 116.94 120.11 2hf5 h PHE 65 Ca -0.41 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.44 2hf5 h PHE 65 Cb 1.31 0.09 -0.08 0.00 2.20 0.00 0.00 35.95 39.46 2hf5 h PHE 65 CO 1.24 -0.15 -0.21 -1.35 -0.60 0.00 0.00 178.31 177.24 2hf5 h PRO 66 N -0.22 -0.15 0.38 1.51 0.11 -1.99 -0.59 132.00 131.06 2hf5 h PRO 66 Ca 0.00 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2hf5 h PRO 66 Cb 0.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2hf5 h PRO 66 CO -0.02 -0.10 -0.18 0.93 -0.21 0.00 0.00 178.00 178.42 2hf5 h GLU 67 N -0.15 -0.49 -0.09 1.05 5.08 -1.90 -2.39 114.58 115.69 2hf5 h GLU 67 Ca 0.19 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2hf5 h GLU 67 Cb 0.44 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2hf5 h GLU 67 CO -0.47 -0.22 0.06 0.35 -1.00 0.00 0.00 179.01 177.73 2hf5 h PHE 68 N -0.71 0.12 -0.74 4.33 3.57 -0.12 0.47 116.94 123.87 2hf5 h PHE 68 Ca -0.05 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.47 2hf5 h PHE 68 Cb 0.50 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 2hf5 h PHE 68 CO -0.00 0.13 0.47 -0.07 -2.23 0.00 0.00 178.31 176.61 2hf5 h LEU 69 N 0.09 0.80 -0.03 0.59 -0.00 -1.19 0.40 115.31 115.97 2hf5 h LEU 69 Ca 0.03 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.88 57.74 2hf5 h LEU 69 Cb 0.04 -0.18 0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2hf5 h LEU 69 CO -0.01 0.56 -0.64 0.74 -0.00 0.00 0.00 178.44 179.09 2hf5 h THR 70 N 0.94 1.39 0.00 0.22 2.02 -1.02 -0.47 112.91 115.99 2hf5 h THR 70 Ca 0.29 -2.04 -0.06 0.00 0.77 0.00 0.00 66.41 65.37 2hf5 h THR 70 Cb -0.04 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2hf5 h THR 70 CO -0.09 0.60 -0.27 0.24 0.37 0.00 0.00 175.52 176.38 2hf5 h MET 71 N 0.03 0.00 0.20 6.66 2.86 0.07 0.55 114.93 125.30 2hf5 h MET 71 Ca -0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2hf5 h MET 71 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2hf5 h MET 71 CO 0.13 0.27 -0.09 1.98 1.06 0.00 0.00 176.91 180.25 2hf5 h MET 72 N 0.00 -0.25 0.00 1.72 -1.53 -0.16 -3.20 114.93 111.50 2hf5 h MET 72 Ca -0.00 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2hf5 h MET 72 Cb 0.54 0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.65 2hf5 h MET 72 CO 0.03 -0.17 0.38 0.00 0.14 0.00 0.00 176.91 177.30 2hf5 n ALA 73 N -2.24 0.51 -0.24 0.39 0.00 -0.19 0.19 120.51 118.91 2hf5 n ALA 73 Ca -0.03 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.53 2hf5 n ALA 73 Cb 0.10 -0.64 0.11 0.00 0.00 0.00 0.00 19.45 19.03 2hf5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hf5 h ARG 74 N 0.00 0.05 0.00 0.00 2.47 0.12 -3.38 114.38 113.64 2hf5 h ARG 74 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hf5 h ARG 74 Cb 0.77 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2hf5 h ARG 74 CO 0.00 0.03 -0.42 1.63 0.56 0.00 0.00 179.97 181.78 2hf5 n LYS 75 N -5.40 0.69 -3.60 0.04 4.76 -0.73 -5.07 118.16 108.85 2hf5 n LYS 75 Ca 0.11 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.16 2hf5 n LYS 75 Cb 0.41 -0.71 -0.11 0.00 -1.84 0.00 0.00 35.03 32.78 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 -1.42 3.31 -0.24 1.97 -1.94 0.13 -5.05 119.30 116.06 2hf5 s MET 76 Ca 0.00 -0.75 -0.03 0.00 -1.71 0.00 0.00 55.69 53.20 2hf5 s MET 76 Cb 0.00 -3.67 0.01 0.00 2.01 0.00 0.00 34.83 33.18 2hf5 s MET 76 CO 0.00 -0.47 -0.04 0.15 -0.01 0.00 0.00 175.02 174.65 2hf5 s LYS 77 N 1.64 3.04 0.00 2.03 -0.14 -1.26 -2.54 119.74 122.52 2hf5 s LYS 77 Ca 0.05 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 2hf5 s LYS 77 Cb -0.17 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 2hf5 s LYS 77 CO 0.08 -0.34 0.00 -0.25 -0.76 0.00 0.00 175.35 174.08 2hf5 n ASP 78 N 4.74 0.00 -4.48 2.83 8.00 -1.26 -5.03 116.55 121.35 2hf5 n ASP 78 Ca -0.17 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.93 2hf5 n ASP 78 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 2hf5 n ASP 78 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2hf5 s THR 79 N 0.00 5.04 -0.90 -3.53 2.01 -1.26 -5.01 115.64 111.99 2hf5 s THR 79 Ca 0.00 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 2hf5 s THR 79 Cb 0.00 -3.64 0.27 0.00 0.01 0.00 0.00 72.50 69.14 2hf5 s THR 79 CO 0.00 -0.06 1.08 -0.67 -0.69 0.00 0.00 174.62 174.28 2hf5 n ASP 80 N 5.07 5.06 -3.82 3.53 2.03 -1.26 -4.79 116.55 122.37 2hf5 n ASP 80 Ca -0.13 -3.35 -0.16 0.00 0.52 0.00 0.00 54.79 51.68 2hf5 n ASP 80 Cb 0.49 -1.04 -0.16 0.00 -0.72 0.00 0.00 41.12 39.69 2hf5 n ASP 80 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2hf5 s SER 81 N -1.51 0.26 0.42 1.67 0.01 -1.26 -5.05 113.70 108.24 2hf5 s SER 81 Ca 0.33 -0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.67 2hf5 s SER 81 Cb 0.05 -0.14 0.92 0.00 0.21 0.00 0.00 66.02 67.06 2hf5 s SER 81 CO 0.01 -0.08 2.05 -0.08 0.41 0.00 0.00 173.24 175.55 2hf5 h GLU 82 N 7.04 0.47 -0.07 12.44 4.81 -1.98 -1.64 114.58 135.64 2hf5 h GLU 82 Ca -0.41 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2hf5 h GLU 82 Cb 1.14 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2hf5 h GLU 82 CO 0.48 0.31 0.03 0.93 -0.73 0.00 0.00 179.01 180.03 2hf5 h GLU 83 N 0.49 0.06 -0.64 1.92 3.07 -1.97 0.50 114.58 118.00 2hf5 h GLU 83 Ca 0.16 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2hf5 h GLU 83 Cb 0.05 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 2hf5 h GLU 83 CO -0.04 0.04 0.26 0.93 -1.40 0.00 0.00 179.01 178.80 2hf5 h GLU 84 N 0.06 0.96 -0.29 2.33 4.39 -1.71 0.18 114.58 120.50 2hf5 h GLU 84 Ca 0.03 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.45 2hf5 h GLU 84 Cb 0.01 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2hf5 h GLU 84 CO -0.03 0.81 -0.27 0.82 -1.16 0.00 0.00 179.01 179.18 2hf5 h ILE 85 N 0.91 1.27 -0.24 3.13 1.08 -1.16 -0.05 117.51 122.45 2hf5 h ILE 85 Ca 0.22 -1.33 -0.16 0.00 -0.39 0.00 0.00 64.86 63.19 2hf5 h ILE 85 Cb 0.20 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2hf5 h ILE 85 CO -0.02 0.43 -0.51 -0.09 -0.69 0.00 0.00 178.15 177.27 2hf5 h ARG 86 N 0.50 0.69 0.00 2.37 2.43 0.62 0.88 114.38 121.86 2hf5 h ARG 86 Ca 0.07 -0.42 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 2hf5 h ARG 86 Cb 0.72 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2hf5 h ARG 86 CO 0.06 1.03 -0.39 0.93 -1.51 0.00 0.00 179.97 180.09 2hf5 h GLU 87 N 0.54 0.00 -0.57 0.20 5.08 -0.43 -1.94 114.58 117.46 2hf5 h GLU 87 Ca 0.02 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2hf5 h GLU 87 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2hf5 h GLU 87 CO 0.10 0.39 0.07 0.00 -1.00 0.00 0.00 179.01 178.57 2hf5 h ALA 88 N 1.61 0.76 -0.54 3.43 0.00 -0.33 -1.62 119.26 122.58 2hf5 h ALA 88 Ca -0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2hf5 h ALA 88 Cb 0.71 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2hf5 h ALA 88 CO 0.05 0.53 0.16 0.74 0.00 0.00 0.00 179.25 180.73 2hf5 h PHE 89 N 0.86 0.27 0.00 0.00 -1.00 -0.10 0.62 116.94 117.58 2hf5 h PHE 89 Ca 0.17 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.89 2hf5 h PHE 89 Cb 0.45 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 2hf5 h PHE 89 CO 0.03 0.05 -0.42 0.07 -1.61 0.00 0.00 178.31 176.42 2hf5 h ARG 90 N 0.31 0.00 0.03 1.51 0.11 -1.29 -2.64 114.38 112.43 2hf5 h ARG 90 Ca 0.27 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.30 2hf5 h ARG 90 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2hf5 h ARG 90 CO -0.31 0.42 -0.21 0.28 0.10 0.00 0.00 179.97 180.25 2hf5 h VAL 91 N 0.00 1.72 -0.91 0.08 2.07 -0.33 -3.36 116.25 115.52 2hf5 h VAL 91 Ca -0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2hf5 h VAL 91 Cb 1.02 3.34 -0.04 0.00 -1.52 0.00 0.00 31.29 34.08 2hf5 h VAL 91 CO 0.06 0.63 0.58 -0.26 0.02 0.00 0.00 177.57 178.59 2hf5 h PHE 92 N -0.85 1.17 -3.86 1.57 -1.00 0.16 -3.43 116.94 110.71 2hf5 h PHE 92 Ca -0.04 0.01 -0.53 0.00 2.81 0.00 0.00 57.97 60.22 2hf5 h PHE 92 Cb 1.16 -0.39 0.09 0.00 3.61 0.00 0.00 35.95 40.42 2hf5 h PHE 92 CO 0.26 0.76 0.72 0.34 -1.61 0.00 0.00 178.31 178.78 2hf5 s ASP 93 N -6.08 6.54 0.10 2.17 2.15 -0.99 -4.11 116.67 116.44 2hf5 s ASP 93 Ca -0.13 2.88 -0.03 0.00 0.43 0.00 0.00 52.55 55.70 2hf5 s ASP 93 Cb 0.17 -2.66 -0.20 0.00 -0.30 0.00 0.00 42.92 39.93 2hf5 s ASP 93 CO 0.81 -0.73 1.22 0.07 -0.17 0.00 0.00 175.17 176.37 2hf5 h LYS 94 N 3.36 0.28 -0.21 4.34 2.10 -1.82 -3.07 116.57 121.55 2hf5 h LYS 94 Ca -0.50 -0.40 0.00 0.00 -2.00 0.00 0.00 60.65 57.75 2hf5 h LYS 94 Cb 1.23 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 2hf5 h LYS 94 CO 0.66 1.15 0.00 -0.25 -2.00 0.00 0.00 179.45 179.01 2hf5 n ASP 95 N -3.59 2.36 -2.39 7.07 9.92 -1.26 -4.94 116.55 123.72 2hf5 n ASP 95 Ca -0.07 -1.81 -0.12 0.00 -0.53 0.00 0.00 54.79 52.26 2hf5 n ASP 95 Cb 0.95 -0.13 -0.01 0.00 -0.64 0.00 0.00 41.12 41.29 2hf5 n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hf5 n GLY 96 N 1.28 -0.43 0.00 0.44 0.00 -1.16 -4.85 105.19 100.47 2hf5 n GLY 96 Ca 0.17 0.00 0.13 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 -1.74 0.00 0.00 1.61 6.94 -1.26 -4.88 115.26 115.93 2hf5 n ASN 97 Ca -0.14 -0.95 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 2hf5 n ASN 97 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 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 0.77 3.31 3.87 4.83 0.00 -1.26 -5.03 105.19 111.68 2hf5 n GLY 98 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.66 3.22 -0.39 1.61 2.02 -1.26 -4.51 117.35 115.37 2hf5 s TYR 99 Ca 0.00 -0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.59 2hf5 s TYR 99 Cb 0.00 -1.46 0.10 0.00 -0.40 0.00 0.00 41.96 40.20 2hf5 s TYR 99 CO 0.00 0.50 0.18 0.42 -1.57 0.00 0.00 175.55 175.08 2hf5 s ILE 100 N -2.06 3.40 0.70 2.71 1.01 -1.20 -4.51 121.20 121.25 2hf5 s ILE 100 Ca 0.33 -1.85 0.03 0.00 0.00 0.00 0.00 60.65 59.16 2hf5 s ILE 100 Cb -0.08 -3.23 0.13 0.00 0.01 0.00 0.00 42.46 39.29 2hf5 s ILE 100 CO 0.26 -0.58 0.96 -1.20 0.00 0.00 0.00 174.94 174.38 2hf5 n SER 101 N 4.65 1.63 0.25 3.58 7.64 -1.26 -0.58 113.62 129.52 2hf5 n SER 101 Ca -0.05 -2.29 -0.14 0.00 1.01 0.00 0.00 58.87 57.39 2hf5 n SER 101 Cb 0.42 -0.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 2hf5 n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hf5 h ALA 102 N -0.38 -0.64 -0.88 -0.43 0.00 -1.86 -2.69 119.26 112.37 2hf5 h ALA 102 Ca -0.32 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 54.64 2hf5 h ALA 102 Cb 1.26 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 2hf5 h ALA 102 CO 0.37 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 179.52 2hf5 h ALA 103 N -0.58 2.61 -0.57 0.00 0.00 -1.91 0.45 119.26 119.26 2hf5 h ALA 103 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2hf5 h ALA 103 Cb 0.59 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2hf5 h ALA 103 CO 0.11 -0.87 0.25 0.93 0.00 0.00 0.00 179.25 179.67 2hf5 h GLU 104 N 0.14 0.83 -0.50 0.00 4.39 -1.75 -2.52 114.58 115.17 2hf5 h GLU 104 Ca 0.43 -0.14 0.09 0.00 0.34 0.00 0.00 59.36 60.09 2hf5 h GLU 104 Cb 1.49 -0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.92 2hf5 h GLU 104 CO -0.07 0.70 0.02 -0.07 -1.16 0.00 0.00 179.01 178.43 2hf5 h LEU 105 N 0.77 -0.17 -0.28 1.33 -0.00 -0.70 -2.35 115.31 113.92 2hf5 h LEU 105 Ca 0.19 0.11 -0.11 0.00 -0.00 0.00 0.00 57.88 58.08 2hf5 h LEU 105 Cb 0.16 0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2hf5 h LEU 105 CO -0.02 -0.05 -0.25 0.03 -0.00 0.00 0.00 178.44 178.15 2hf5 h ARG 106 N 0.14 0.66 -0.60 1.13 3.08 -1.47 0.32 114.38 117.64 2hf5 h ARG 106 Ca 0.25 -0.34 0.12 0.00 0.07 0.00 0.00 59.98 60.09 2hf5 h ARG 106 Cb 0.37 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.33 2hf5 h ARG 106 CO -0.40 0.95 -0.03 1.25 -1.07 0.00 0.00 179.97 180.67 2hf5 h HIS 107 N 0.40 -0.09 0.10 3.04 2.76 -0.77 0.51 115.15 121.10 2hf5 h HIS 107 Ca 0.05 0.05 -0.31 0.00 -2.20 0.00 0.00 60.37 57.95 2hf5 h HIS 107 Cb 0.81 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2hf5 h HIS 107 CO 0.07 -0.18 -1.60 -0.24 -1.30 0.00 0.00 177.93 174.69 2hf5 h VAL 108 N 0.09 1.07 0.00 5.26 3.04 -1.27 -3.39 116.25 121.05 2hf5 h VAL 108 Ca 0.31 -2.74 0.00 0.00 -1.01 0.00 0.00 66.70 63.26 2hf5 h VAL 108 Cb 0.50 2.69 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 2hf5 h VAL 108 CO -0.53 0.79 0.00 0.80 -1.01 0.00 0.00 177.57 177.62 2hf5 n MET 109 N -3.41 0.00 0.00 4.17 0.00 0.11 -4.86 117.12 113.13 2hf5 n MET 109 Ca -0.18 0.31 0.00 0.00 0.00 0.00 0.00 57.70 57.83 2hf5 n MET 109 Cb 1.04 -0.85 0.00 0.00 0.00 0.00 0.00 33.22 33.41 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 -1.42 0.00 -4.19 1.12 5.66 -0.97 -5.06 114.28 109.42 2hf5 n THR 110 Ca 0.00 -0.11 -0.17 0.00 -3.05 0.00 0.00 64.05 60.73 2hf5 n THR 110 Cb 0.00 0.63 -0.02 0.00 -1.55 0.00 0.00 70.33 69.39 2hf5 n THR 110 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2hf5 n ASN 111 N -0.49 2.50 -4.27 1.09 5.03 0.18 -5.03 115.26 114.27 2hf5 n ASN 111 Ca 0.00 -2.15 -0.40 0.00 0.87 0.00 0.00 54.58 52.90 2hf5 n ASN 111 Cb 0.00 0.12 -0.10 0.00 -1.02 0.00 0.00 39.78 38.79 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2hf5 s LEU 112 N 0.00 5.17 0.00 3.41 1.43 -1.26 -3.82 118.68 123.61 2hf5 s LEU 112 Ca 0.05 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.65 2hf5 s LEU 112 Cb -0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2hf5 s LEU 112 CO 0.03 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.68