#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 3.36 0.28 0.00 2.56 -1.26 -4.87 118.70 118.77 2hf5 s GLU 47 Ca 0.00 -0.22 0.15 0.00 0.00 0.00 0.00 54.97 54.90 2hf5 s GLU 47 Cb 0.00 -3.99 0.12 0.00 2.00 0.00 0.00 34.13 32.26 2hf5 s GLU 47 CO 0.00 -1.24 1.47 -0.07 -0.56 0.00 0.00 175.26 174.85 2hf5 h LEU 48 N 10.36 0.00 -1.16 2.70 3.38 -1.99 -3.18 115.31 125.41 2hf5 h LEU 48 Ca -0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2hf5 h LEU 48 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2hf5 h LEU 48 CO 1.00 0.52 -0.10 -0.61 0.09 0.00 0.00 178.44 179.34 2hf5 h GLN 49 N 0.00 0.46 -0.17 1.13 5.75 -1.98 0.58 115.11 120.87 2hf5 h GLN 49 Ca -0.01 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.36 2hf5 h GLN 49 Cb 1.36 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 2hf5 h GLN 49 CO 0.07 0.57 0.05 0.22 -2.65 0.00 0.00 178.83 177.09 2hf5 h ASP 50 N 0.43 0.25 0.06 -0.69 3.58 -1.97 -0.03 116.42 118.06 2hf5 h ASP 50 Ca 0.08 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2hf5 h ASP 50 Cb 0.44 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2hf5 h ASP 50 CO 0.02 0.39 -0.13 -0.03 -2.88 0.00 0.00 179.24 176.61 2hf5 h MET 51 N 0.10 0.17 -0.56 0.28 4.05 -1.46 -0.95 114.93 116.55 2hf5 h MET 51 Ca 0.06 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2hf5 h MET 51 Cb 0.23 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 2hf5 h MET 51 CO -0.00 0.32 0.02 0.82 0.23 0.00 0.00 176.91 178.29 2hf5 h ILE 52 N 0.17 1.26 -0.23 1.77 2.04 -0.46 -2.74 117.51 119.32 2hf5 h ILE 52 Ca 0.03 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 2hf5 h ILE 52 Cb 0.35 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2hf5 h ILE 52 CO 0.02 0.39 0.04 0.78 0.00 0.00 0.00 178.15 179.38 2hf5 h ASN 53 N 0.89 0.29 -0.05 1.72 -0.26 0.37 0.32 115.58 118.86 2hf5 h ASN 53 Ca 0.17 -0.03 -0.16 0.00 -0.56 0.00 0.00 56.30 55.71 2hf5 h ASN 53 Cb 0.50 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2hf5 h ASN 53 CO 0.02 0.32 -0.54 -0.33 -1.06 0.00 0.00 177.43 175.84 2hf5 h GLU 54 N 0.32 0.63 0.00 0.81 4.39 -1.17 -3.28 114.58 116.28 2hf5 h GLU 54 Ca 0.08 -0.39 -0.18 0.00 0.34 0.00 0.00 59.36 59.21 2hf5 h GLU 54 Cb 0.16 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2hf5 h GLU 54 CO -0.00 1.01 -1.12 0.28 -1.16 0.00 0.00 179.01 178.01 2hf5 h VAL 55 N 0.49 0.88 -0.15 3.13 2.07 -1.05 -3.40 116.25 118.21 2hf5 h VAL 55 Ca 0.01 -2.43 -0.42 0.00 0.82 0.00 0.00 66.70 64.68 2hf5 h VAL 55 Cb 1.09 2.35 0.04 0.00 -1.52 0.00 0.00 31.29 33.25 2hf5 h VAL 55 CO 0.11 0.50 1.29 -0.67 0.02 0.00 0.00 177.57 178.82 2hf5 n ASP 56 N -3.09 2.10 -0.03 0.57 2.03 0.10 -4.67 116.55 113.56 2hf5 n ASP 56 Ca -0.06 -2.61 -0.16 0.00 0.52 0.00 0.00 54.79 52.48 2hf5 n ASP 56 Cb 0.86 -1.27 -0.08 0.00 -0.72 0.00 0.00 41.12 39.91 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 9.62 0.25 -0.08 -1.67 0.00 -1.83 -3.37 119.26 122.18 2hf5 h ALA 57 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2hf5 h ALA 57 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2hf5 h ALA 57 CO 1.59 0.49 0.00 -0.40 0.00 0.00 0.00 179.25 180.93 2hf5 n ASP 58 N -4.13 1.95 -1.40 0.00 5.75 -1.26 -5.01 116.55 112.45 2hf5 n ASP 58 Ca -0.08 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2hf5 n ASP 58 Cb 0.64 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.02 -0.23 0.00 6.12 0.00 -1.26 -5.03 105.19 104.81 2hf5 n GLY 59 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.93 0.00 0.00 1.61 6.94 -1.26 -5.02 115.26 116.60 2hf5 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2hf5 n ASN 60 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 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 0.00 0.72 3.17 4.83 0.00 -1.26 -4.97 105.19 107.68 2hf5 n GLY 61 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2hf5 n GLY 61 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2hf5 n THR 62 N -2.45 0.00 -3.55 2.61 5.66 -1.26 -4.78 114.28 110.51 2hf5 n THR 62 Ca 0.00 -0.93 -0.33 0.00 -3.05 0.00 0.00 64.05 59.74 2hf5 n THR 62 Cb 0.00 0.86 -0.05 0.00 -1.55 0.00 0.00 70.33 69.58 2hf5 n THR 62 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2hf5 s ILE 63 N -2.30 5.06 0.38 1.09 2.07 0.47 -4.48 121.20 123.49 2hf5 s ILE 63 Ca 0.15 0.36 0.07 0.00 -1.41 0.00 0.00 60.65 59.82 2hf5 s ILE 63 Cb -0.04 -3.64 -0.01 0.00 0.13 0.00 0.00 42.46 38.90 2hf5 s ILE 63 CO 0.11 0.11 0.45 -1.81 -1.91 0.00 0.00 174.94 171.89 2hf5 s ASP 64 N -2.12 5.55 0.11 4.50 1.11 -1.26 -3.55 116.67 121.01 2hf5 s ASP 64 Ca 0.40 -0.43 -0.29 0.00 0.18 0.00 0.00 52.55 52.41 2hf5 s ASP 64 Cb -0.13 -0.87 -0.09 0.00 1.07 0.00 0.00 42.92 42.90 2hf5 s ASP 64 CO 0.21 -0.56 1.62 -0.26 1.18 0.00 0.00 175.17 177.36 2hf5 h PHE 65 N 0.92 -0.89 -0.58 4.23 0.04 -1.99 0.47 116.94 119.14 2hf5 h PHE 65 Ca -0.43 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.34 2hf5 h PHE 65 Cb 1.26 0.37 -0.03 0.00 2.20 0.00 0.00 35.95 39.76 2hf5 h PHE 65 CO 0.46 -0.44 0.28 -1.00 -0.60 0.00 0.00 178.31 177.01 2hf5 h PRO 66 N -0.57 0.82 0.44 1.51 0.13 -1.99 -2.21 132.00 130.12 2hf5 h PRO 66 Ca 0.02 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 2hf5 h PRO 66 Cb 0.59 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2hf5 h PRO 66 CO -0.17 0.63 -0.21 1.49 -0.23 0.00 0.00 178.00 179.51 2hf5 h GLU 67 N 0.82 -0.57 -0.55 0.86 4.81 -1.86 -1.65 114.58 116.45 2hf5 h GLU 67 Ca 0.20 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.53 2hf5 h GLU 67 Cb 0.09 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2hf5 h GLU 67 CO -0.03 -0.31 0.26 0.35 -0.73 0.00 0.00 179.01 178.55 2hf5 h PHE 68 N -0.71 0.46 -0.73 0.92 3.57 0.09 0.37 116.94 120.92 2hf5 h PHE 68 Ca -0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 2hf5 h PHE 68 Cb 0.51 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2hf5 h PHE 68 CO -0.02 0.20 0.23 -0.07 -2.23 0.00 0.00 178.31 176.42 2hf5 h LEU 69 N 0.49 1.06 0.02 0.59 -0.00 -1.38 0.41 115.31 116.50 2hf5 h LEU 69 Ca 0.25 -0.20 -0.18 0.00 -0.00 0.00 0.00 57.88 57.75 2hf5 h LEU 69 Cb 0.21 -0.28 0.02 0.00 -0.00 0.00 0.00 40.66 40.61 2hf5 h LEU 69 CO -0.20 0.98 -0.72 0.74 -0.00 0.00 0.00 178.44 179.24 2hf5 h THR 70 N 1.08 1.41 -0.46 0.22 2.02 -0.66 -1.12 112.91 115.39 2hf5 h THR 70 Ca 0.24 -2.17 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 2hf5 h THR 70 Cb 0.30 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 2hf5 h THR 70 CO -0.01 0.64 0.02 0.24 0.37 0.00 0.00 175.52 176.78 2hf5 h MET 71 N -0.04 0.75 0.56 6.66 2.86 -0.23 0.41 114.93 125.90 2hf5 h MET 71 Ca -0.10 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 2hf5 h MET 71 Cb 1.43 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 33.00 2hf5 h MET 71 CO 0.14 0.74 -0.27 1.98 1.06 0.00 0.00 176.91 180.57 2hf5 h MET 72 N 0.71 -0.73 0.00 1.72 -1.53 -0.16 -2.83 114.93 112.11 2hf5 h MET 72 Ca 0.14 0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 2hf5 h MET 72 Cb 0.40 0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.62 2hf5 h MET 72 CO 0.01 -0.48 0.15 0.00 0.14 0.00 0.00 176.91 176.73 2hf5 h ALA 73 N -1.58 1.12 -0.31 0.39 0.00 -1.16 0.27 119.26 117.99 2hf5 h ALA 73 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2hf5 h ALA 73 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2hf5 h ALA 73 CO 0.13 -0.12 -0.15 -0.09 0.00 0.00 0.00 179.25 179.02 2hf5 h ARG 74 N 0.00 -0.10 0.00 0.00 9.65 0.09 -3.40 114.38 120.62 2hf5 h ARG 74 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2hf5 h ARG 74 Cb 0.31 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 2hf5 h ARG 74 CO 0.00 -0.07 -0.67 1.63 2.80 0.00 0.00 179.97 183.67 2hf5 n LYS 75 N -5.33 0.00 -1.78 0.20 5.02 -1.03 -5.08 118.16 110.16 2hf5 n LYS 75 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 2hf5 n LYS 75 Cb 0.24 -0.59 0.17 0.00 -0.02 0.00 0.00 35.03 34.82 2hf5 n LYS 75 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2hf5 s MET 76 N -1.83 0.78 0.61 1.97 1.75 0.92 -5.02 119.30 118.49 2hf5 s MET 76 Ca 0.00 -0.18 -0.19 0.00 -1.25 0.00 0.00 55.69 54.07 2hf5 s MET 76 Cb 0.00 -1.84 -0.02 0.00 2.84 0.00 0.00 34.83 35.81 2hf5 s MET 76 CO 0.00 -2.36 1.28 -1.59 -0.65 0.00 0.00 175.02 171.71 2hf5 s LYS 77 N -5.70 2.77 -0.12 4.11 0.00 -1.26 -3.78 119.74 115.76 2hf5 s LYS 77 Ca 0.70 2.03 -0.05 0.00 0.00 0.00 0.00 55.97 58.66 2hf5 s LYS 77 Cb -0.07 -1.94 -0.04 0.00 0.00 0.00 0.00 37.83 35.78 2hf5 s LYS 77 CO 0.52 -1.42 0.05 0.16 0.00 0.00 0.00 175.35 174.67 2hf5 s ASP 78 N -1.36 5.63 -0.17 0.03 -4.77 -1.26 -3.93 116.67 110.83 2hf5 s ASP 78 Ca 0.79 0.21 0.01 0.00 -3.30 0.00 0.00 52.55 50.26 2hf5 s ASP 78 Cb -0.36 -1.76 0.03 0.00 -1.09 0.00 0.00 42.92 39.73 2hf5 s ASP 78 CO 0.39 0.33 -0.15 -0.89 0.70 0.00 0.00 175.17 175.56 2hf5 s THR 79 N -0.59 1.75 -0.53 2.11 2.01 -1.26 -5.04 115.64 114.09 2hf5 s THR 79 Ca 0.11 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 2hf5 s THR 79 Cb -0.12 -1.67 0.07 0.00 0.01 0.00 0.00 72.50 70.80 2hf5 s THR 79 CO 0.02 0.40 0.64 1.51 -0.69 0.00 0.00 174.62 176.50 2hf5 s ASP 80 N 1.40 6.21 -0.41 3.53 -4.77 -1.26 -4.85 116.67 116.52 2hf5 s ASP 80 Ca 0.03 -1.07 0.03 0.00 -3.30 0.00 0.00 52.55 48.25 2hf5 s ASP 80 Cb -0.14 -2.29 0.28 0.00 -1.09 0.00 0.00 42.92 39.68 2hf5 s ASP 80 CO -0.11 -0.95 1.11 -1.20 0.70 0.00 0.00 175.17 174.72 2hf5 n SER 81 N 6.19 -2.10 -0.15 2.11 7.64 -1.26 -5.06 113.62 120.99 2hf5 n SER 81 Ca -0.07 -2.74 -0.05 0.00 1.01 0.00 0.00 58.87 57.01 2hf5 n SER 81 Cb 0.44 1.44 0.01 0.00 -1.01 0.00 0.00 64.21 65.09 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 3.31 -0.14 -0.70 1.43 4.81 -1.99 0.34 114.58 121.64 2hf5 h GLU 82 Ca -0.19 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2hf5 h GLU 82 Cb 1.12 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2hf5 h GLU 82 CO 0.09 -0.10 0.46 1.05 -0.73 0.00 0.00 179.01 179.79 2hf5 h GLU 83 N -0.15 0.73 -0.11 1.92 4.11 -1.98 0.23 114.58 119.32 2hf5 h GLU 83 Ca 0.22 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.52 2hf5 h GLU 83 Cb 0.49 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2hf5 h GLU 83 CO -0.56 0.48 -0.26 0.93 0.07 0.00 0.00 179.01 179.67 2hf5 h GLU 84 N 0.75 0.38 -0.37 1.06 4.39 -0.88 -1.79 114.58 118.12 2hf5 h GLU 84 Ca 0.29 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2hf5 h GLU 84 Cb 0.20 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2hf5 h GLU 84 CO -0.09 0.86 -0.23 0.82 -1.16 0.00 0.00 179.01 179.21 2hf5 h ILE 85 N -0.05 1.27 -0.66 3.13 1.08 -0.23 0.31 117.51 122.37 2hf5 h ILE 85 Ca -0.00 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 2hf5 h ILE 85 Cb 0.87 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.82 2hf5 h ILE 85 CO 0.06 0.44 0.35 0.03 -0.69 0.00 0.00 178.15 178.34 2hf5 h ARG 86 N 0.64 0.92 0.00 2.37 3.08 -0.58 0.21 114.38 121.02 2hf5 h ARG 86 Ca 0.09 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2hf5 h ARG 86 Cb 0.73 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2hf5 h ARG 86 CO 0.06 0.70 -0.44 1.49 -1.07 0.00 0.00 179.97 180.70 2hf5 h GLU 87 N 0.90 0.00 -0.34 0.04 4.81 -0.97 -2.59 114.58 116.42 2hf5 h GLU 87 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2hf5 h GLU 87 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2hf5 h GLU 87 CO -0.04 0.44 -0.04 0.00 -0.73 0.00 0.00 179.01 178.65 2hf5 h ALA 88 N 1.56 0.46 -0.94 2.92 0.00 0.58 0.12 119.26 123.97 2hf5 h ALA 88 Ca -0.00 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.78 2hf5 h ALA 88 Cb 1.01 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 2hf5 h ALA 88 CO 0.06 0.26 0.55 0.74 0.00 0.00 0.00 179.25 180.85 2hf5 h PHE 89 N 0.42 0.97 0.00 0.00 -1.00 -0.36 0.66 116.94 117.63 2hf5 h PHE 89 Ca 0.09 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.82 2hf5 h PHE 89 Cb 0.51 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2hf5 h PHE 89 CO 0.04 0.29 -0.42 -0.09 -1.61 0.00 0.00 178.31 176.52 2hf5 h ARG 90 N 0.78 0.00 0.15 1.51 2.43 -1.05 -1.44 114.38 116.77 2hf5 h ARG 90 Ca 0.50 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.47 2hf5 h ARG 90 Cb 0.66 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2hf5 h ARG 90 CO -0.33 0.42 -0.88 0.28 -1.51 0.00 0.00 179.97 177.94 2hf5 h VAL 91 N 0.00 1.49 -0.09 0.20 2.07 0.12 -3.34 116.25 116.70 2hf5 h VAL 91 Ca -0.00 -2.54 -0.00 0.00 0.82 0.00 0.00 66.70 64.97 2hf5 h VAL 91 Cb 1.07 3.17 -0.00 0.00 -1.52 0.00 0.00 31.29 34.00 2hf5 h VAL 91 CO 0.05 0.73 0.05 -0.26 0.02 0.00 0.00 177.57 178.16 2hf5 h PHE 92 N -0.30 0.12 -3.69 1.57 -1.00 0.22 -3.43 116.94 110.42 2hf5 h PHE 92 Ca -0.15 -0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.07 2hf5 h PHE 92 Cb 1.70 -0.04 0.12 0.00 3.61 0.00 0.00 35.95 41.34 2hf5 h PHE 92 CO 0.19 0.15 0.60 -3.47 -1.61 0.00 0.00 178.31 174.18 2hf5 n ASP 93 N -4.98 3.03 0.04 2.17 -0.08 -0.54 -3.81 116.55 112.38 2hf5 n ASP 93 Ca -0.06 1.15 -0.20 0.00 -1.51 0.00 0.00 54.79 54.18 2hf5 n ASP 93 Cb 0.07 -1.55 -0.11 0.00 2.34 0.00 0.00 41.12 41.87 2hf5 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2hf5 h LYS 94 N 2.38 0.61 -0.16 -0.67 1.57 -1.85 -3.35 116.57 115.10 2hf5 h LYS 94 Ca -0.49 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 57.60 2hf5 h LYS 94 Cb 1.28 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2hf5 h LYS 94 CO 0.61 1.28 0.00 -0.40 -0.57 0.00 0.00 179.45 180.37 2hf5 n ASP 95 N -3.94 2.75 -3.31 0.86 5.68 -1.26 -4.98 116.55 112.34 2hf5 n ASP 95 Ca -0.11 -1.81 -0.24 0.00 -0.50 0.00 0.00 54.79 52.13 2hf5 n ASP 95 Cb 0.84 -0.10 0.01 0.00 -1.14 0.00 0.00 41.12 40.74 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 1.04 -0.50 0.00 6.12 0.00 -1.26 -4.85 105.19 105.74 2hf5 n GLY 96 Ca 0.13 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.43 0.00 0.00 1.61 6.94 -1.26 -4.85 115.26 115.28 2hf5 n ASN 97 Ca -0.04 -0.68 0.00 0.00 -0.02 0.00 0.00 54.58 53.84 2hf5 n ASN 97 Cb 0.57 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 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 0.52 0.94 3.33 4.83 0.00 -1.26 -5.07 105.19 108.48 2hf5 n GLY 98 Ca 0.17 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.38 -0.43 1.61 2.02 -1.26 -4.89 117.35 112.02 2hf5 s TYR 99 Ca 0.00 0.74 -0.07 0.00 -0.37 0.00 0.00 57.07 57.37 2hf5 s TYR 99 Cb 0.00 0.18 0.10 0.00 -0.40 0.00 0.00 41.96 41.84 2hf5 s TYR 99 CO 0.00 -0.38 0.26 0.42 -1.57 0.00 0.00 175.55 174.28 2hf5 s ILE 100 N -0.79 3.89 0.56 2.71 1.01 -1.23 -4.46 121.20 122.88 2hf5 s ILE 100 Ca -0.09 -1.74 0.09 0.00 0.00 0.00 0.00 60.65 58.91 2hf5 s ILE 100 Cb -0.04 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 39.00 2hf5 s ILE 100 CO 0.04 -0.64 0.71 -0.24 0.00 0.00 0.00 174.94 174.81 2hf5 n SER 101 N 4.81 2.15 0.23 3.58 2.88 -1.26 -0.39 113.62 125.62 2hf5 n SER 101 Ca -0.07 -2.55 -0.15 0.00 -1.33 0.00 0.00 58.87 54.77 2hf5 n SER 101 Cb 0.42 -0.35 -0.08 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.22 -0.55 -0.80 -1.46 0.00 -1.86 0.60 119.26 115.41 2hf5 h ALA 102 Ca -0.27 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.67 2hf5 h ALA 102 Cb 1.21 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 19.10 2hf5 h ALA 102 CO 0.40 -0.75 0.23 0.00 0.00 0.00 0.00 179.25 179.13 2hf5 h ALA 103 N -0.13 1.10 -0.18 0.00 0.00 -1.96 0.37 119.26 118.47 2hf5 h ALA 103 Ca -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2hf5 h ALA 103 Cb 0.49 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2hf5 h ALA 103 CO 0.09 -0.35 0.06 0.93 0.00 0.00 0.00 179.25 179.98 2hf5 h GLU 104 N 0.29 0.28 -0.53 0.00 4.39 -1.74 -2.56 114.58 114.71 2hf5 h GLU 104 Ca 0.47 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 60.16 2hf5 h GLU 104 Cb 0.84 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 2hf5 h GLU 104 CO -0.54 0.38 0.28 1.25 -1.16 0.00 0.00 179.01 179.22 2hf5 h LEU 105 N 0.11 0.40 -0.44 1.33 5.85 0.16 -1.49 115.31 121.24 2hf5 h LEU 105 Ca 0.06 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2hf5 h LEU 105 Cb 0.22 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2hf5 h LEU 105 CO -0.00 0.27 0.16 0.03 -0.34 0.00 0.00 178.44 178.56 2hf5 h ARG 106 N 0.53 0.67 -0.77 1.25 3.08 -0.93 0.53 114.38 118.74 2hf5 h ARG 106 Ca 0.23 -0.13 0.18 0.00 0.07 0.00 0.00 59.98 60.33 2hf5 h ARG 106 Cb 0.14 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 29.96 2hf5 h ARG 106 CO -0.16 0.63 0.18 1.25 -1.07 0.00 0.00 179.97 180.80 2hf5 h HIS 107 N 0.57 0.27 0.01 3.04 2.76 -0.87 0.59 115.15 121.51 2hf5 h HIS 107 Ca 0.14 0.05 -0.26 0.00 -2.20 0.00 0.00 60.37 58.10 2hf5 h HIS 107 Cb 0.23 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 2hf5 h HIS 107 CO 0.01 -0.12 -1.40 -0.24 -1.30 0.00 0.00 177.93 174.87 2hf5 h VAL 108 N 0.25 1.23 0.00 5.26 3.04 -0.94 -3.30 116.25 121.79 2hf5 h VAL 108 Ca 0.44 -3.01 0.00 0.00 -1.01 0.00 0.00 66.70 63.12 2hf5 h VAL 108 Cb 0.79 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.69 2hf5 h VAL 108 CO -0.55 0.71 0.00 0.80 -1.01 0.00 0.00 177.57 177.52 2hf5 n MET 109 N -3.19 0.00 0.00 4.17 0.00 0.18 -4.86 117.12 113.42 2hf5 n MET 109 Ca -0.10 0.31 0.00 0.00 0.00 0.00 0.00 57.70 57.91 2hf5 n MET 109 Cb 1.00 -0.80 0.00 0.00 0.00 0.00 0.00 33.22 33.43 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 -1.50 0.00 -1.43 1.12 -1.04 -0.65 -5.05 114.28 105.73 2hf5 n THR 110 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2hf5 n THR 110 Cb 0.00 0.26 0.10 0.00 -1.82 0.00 0.00 70.33 68.87 2hf5 n THR 110 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2hf5 n ASN 111 N -0.80 -0.01 -4.73 8.00 5.15 0.20 -4.97 115.26 118.10 2hf5 n ASN 111 Ca 0.00 -1.22 -0.42 0.00 -0.60 0.00 0.00 54.58 52.34 2hf5 n ASN 111 Cb 0.00 -0.51 -0.03 0.00 -0.53 0.00 0.00 39.78 38.71 2hf5 n ASN 111 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hf5 s LEU 112 N 0.00 4.40 0.00 1.20 1.43 -1.26 -4.65 118.68 119.80 2hf5 s LEU 112 Ca 0.38 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 2hf5 s LEU 112 Cb -0.01 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2hf5 s LEU 112 CO 0.26 -0.54 0.41 0.61 0.23 0.00 0.00 176.35 177.32