#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m94 s ILE 2 N 0.00 2.86 -0.16 1.12 -4.36 -0.57 -4.89 121.20 115.20 1m94 s ILE 2 Ca 0.00 -2.17 -0.05 0.00 -0.26 0.00 0.00 60.65 58.17 1m94 s ILE 2 Cb 0.00 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 1m94 s ILE 2 CO 0.00 -0.37 -0.01 -0.70 0.24 0.00 0.00 174.94 174.10 1m94 s GLU 3 N -3.59 3.74 0.13 0.37 2.56 -1.26 -1.41 118.70 119.24 1m94 s GLU 3 Ca 0.31 -0.48 0.02 0.00 0.00 0.00 0.00 54.97 54.82 1m94 s GLU 3 Cb -0.05 -2.98 -0.04 0.00 2.00 0.00 0.00 34.13 33.05 1m94 s GLU 3 CO 0.17 0.25 -0.04 0.14 -0.56 0.00 0.00 175.26 175.22 1m94 s VAL 4 N 0.35 0.73 0.04 3.70 -7.23 -0.94 0.43 120.40 117.48 1m94 s VAL 4 Ca -0.02 -1.96 0.08 0.00 -1.81 0.00 0.00 61.98 58.26 1m94 s VAL 4 Cb -0.14 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1m94 s VAL 4 CO 0.02 -0.72 -0.20 0.68 -0.31 0.00 0.00 175.10 174.58 1m94 s VAL 5 N -3.61 2.65 -0.20 1.32 -7.23 -1.00 -2.00 120.40 110.33 1m94 s VAL 5 Ca 0.17 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1m94 s VAL 5 Cb 0.05 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.94 1m94 s VAL 5 CO -0.01 0.34 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.34 1m94 s VAL 6 N -0.91 1.49 -0.19 1.32 1.01 -0.01 -0.35 120.40 122.76 1m94 s VAL 6 Ca 0.14 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1m94 s VAL 6 Cb -0.10 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1m94 s VAL 6 CO 0.05 0.12 0.21 0.20 0.00 0.00 0.00 175.10 175.68 1m94 s ASN 7 N 1.46 6.30 0.09 3.32 0.01 -0.12 -0.64 114.94 125.35 1m94 s ASN 7 Ca -0.01 0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 52.33 1m94 s ASN 7 Cb -0.16 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 1m94 s ASN 7 CO -0.08 0.12 1.41 -0.78 -1.51 0.00 0.00 177.10 176.26 1m94 h ASP 8 N 6.80 0.70 0.00 -1.22 1.82 -1.62 0.63 116.42 123.53 1m94 h ASP 8 Ca -0.40 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 55.76 1m94 h ASP 8 Cb 1.16 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1m94 h ASP 8 CO 0.75 1.04 0.00 0.54 -1.61 0.00 0.00 179.24 179.95 1m94 n ARG 9 N -4.30 0.00 -3.28 0.28 5.12 -1.26 -4.40 116.66 108.82 1m94 n ARG 9 Ca -0.04 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.91 1m94 n ARG 9 Cb 0.46 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.74 1m94 n ARG 9 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1m94 s LEU 10 N -6.32 -0.88 0.00 0.55 0.20 -1.26 -4.99 118.68 105.99 1m94 s LEU 10 Ca 0.00 0.78 0.00 0.00 0.69 0.00 0.00 54.13 55.60 1m94 s LEU 10 Cb 0.00 1.83 0.00 0.00 -0.43 0.00 0.00 46.19 47.59 1m94 s LEU 10 CO 0.00 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.50 1m94 n GLY 11 N 5.33 2.76 3.69 7.98 0.00 -1.26 -5.02 105.19 118.67 1m94 n GLY 11 Ca -0.06 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1m94 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m94 s LYS 12 N 0.00 4.36 0.04 1.61 2.20 -1.26 -5.02 119.74 121.67 1m94 s LYS 12 Ca 0.00 1.65 -0.06 0.00 -0.36 0.00 0.00 55.97 57.19 1m94 s LYS 12 Cb 0.00 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1m94 s LYS 12 CO 0.00 -0.42 0.11 -1.59 -0.36 0.00 0.00 175.35 173.09 1m94 s LYS 13 N 2.14 0.60 -0.04 4.03 -2.85 -1.26 -2.32 119.74 120.03 1m94 s LYS 13 Ca 0.55 -0.71 0.05 0.00 -1.00 0.00 0.00 55.97 54.86 1m94 s LYS 13 Cb -0.24 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.76 1m94 s LYS 13 CO 0.22 -0.15 -0.19 0.08 0.10 0.00 0.00 175.35 175.41 1m94 s VAL 14 N -2.52 1.53 -0.26 1.79 1.01 0.18 -4.89 120.40 117.24 1m94 s VAL 14 Ca -0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1m94 s VAL 14 Cb -0.02 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1m94 s VAL 14 CO -0.04 0.44 0.20 -0.13 0.00 0.00 0.00 175.10 175.57 1m94 s ARG 15 N -0.12 4.01 -0.01 2.72 1.81 -1.26 -0.83 118.95 125.28 1m94 s ARG 15 Ca -0.01 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 1m94 s ARG 15 Cb -0.11 -3.60 0.01 0.00 -0.45 0.00 0.00 34.95 30.80 1m94 s ARG 15 CO 0.02 -0.08 0.01 0.54 -0.68 0.00 0.00 175.30 175.10 1m94 s VAL 16 N 1.47 -0.01 -0.10 3.52 0.11 -0.85 -5.00 120.40 119.55 1m94 s VAL 16 Ca 0.08 0.05 -0.04 0.00 -2.93 0.00 0.00 61.98 59.15 1m94 s VAL 16 Cb -0.15 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1m94 s VAL 16 CO 0.08 0.03 0.06 -1.59 -3.33 0.00 0.00 175.10 170.35 1m94 s LYS 17 N 0.29 3.19 0.00 1.54 -2.85 -1.26 -2.20 119.74 118.45 1m94 s LYS 17 Ca -0.02 -0.30 -0.26 0.00 -1.00 0.00 0.00 55.97 54.39 1m94 s LYS 17 Cb -0.04 -2.96 0.06 0.00 -2.06 0.00 0.00 37.83 32.83 1m94 s LYS 17 CO -0.01 0.72 0.59 0.00 0.10 0.00 0.00 175.35 176.75 1m94 s LEU 19 N -1.58 4.00 0.59 0.00 1.43 -1.26 -1.52 118.68 120.34 1m94 s LEU 19 Ca -0.08 1.76 0.36 0.00 -1.03 0.00 0.00 54.13 55.14 1m94 s LEU 19 Cb -0.01 -4.45 1.84 0.00 0.03 0.00 0.00 46.19 43.60 1m94 s LEU 19 CO 0.04 -0.38 2.18 0.00 0.23 0.00 0.00 176.35 178.42 1m94 h ALA 20 N 2.08 1.09 0.00 4.21 0.00 -1.96 -1.69 119.26 123.00 1m94 h ALA 20 Ca -0.49 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1m94 h ALA 20 Cb 1.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1m94 h ALA 20 CO 0.61 0.04 -0.35 1.05 0.00 0.00 0.00 179.25 180.60 1m94 h GLU 21 N 0.00 0.00 -7.20 0.00 -0.00 -1.95 0.37 114.58 105.80 1m94 h GLU 21 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 58.83 1m94 h GLU 21 Cb 0.24 0.00 0.15 0.00 -0.00 0.00 0.00 28.75 29.15 1m94 h GLU 21 CO 0.00 0.35 0.36 -0.51 -0.00 0.00 0.00 179.01 179.22 1m94 s ASP 22 N -6.37 4.16 0.56 3.06 1.01 -0.64 -4.64 116.67 113.81 1m94 s ASP 22 Ca 0.04 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.54 1m94 s ASP 22 Cb 0.07 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.46 1m94 s ASP 22 CO 0.72 -2.28 0.79 -0.44 0.21 0.00 0.00 175.17 174.17 1m94 s SER 23 N -2.31 5.31 0.37 0.27 0.01 -1.26 -0.92 113.70 115.17 1m94 s SER 23 Ca 0.71 0.10 0.05 0.00 1.31 0.00 0.00 55.95 58.13 1m94 s SER 23 Cb -0.26 -1.01 0.73 0.00 0.21 0.00 0.00 66.02 65.69 1m94 s SER 23 CO 0.47 -1.13 1.99 0.58 0.41 0.00 0.00 173.24 175.56 1m94 h VAL 24 N 0.03 1.07 -0.10 3.43 2.07 -1.34 -0.87 116.25 120.54 1m94 h VAL 24 Ca -0.43 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1m94 h VAL 24 Cb 1.29 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1m94 h VAL 24 CO 0.54 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 179.47 1m94 h GLY 25 N 0.76 0.07 1.30 2.17 0.00 -1.79 0.58 103.07 106.16 1m94 h GLY 25 Ca 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1m94 h GLY 25 CO -0.08 -0.04 0.24 -1.80 0.00 0.00 0.00 176.54 174.86 1m94 h ASP 26 N -0.00 0.82 -0.31 0.19 3.58 -1.67 0.16 116.42 119.19 1m94 h ASP 26 Ca 0.05 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1m94 h ASP 26 Cb 0.07 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1m94 h ASP 26 CO -0.10 0.74 0.20 0.15 -2.88 0.00 0.00 179.24 177.35 1m94 h PHE 27 N 0.88 0.39 -0.07 0.28 3.57 -0.26 -1.48 116.94 120.25 1m94 h PHE 27 Ca 0.21 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 1m94 h PHE 27 Cb 0.19 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1m94 h PHE 27 CO 0.01 0.25 -0.47 0.87 -2.23 0.00 0.00 178.31 176.74 1m94 h LYS 28 N 0.42 0.18 -0.65 1.11 1.57 -0.49 -2.64 116.57 116.06 1m94 h LYS 28 Ca 0.11 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1m94 h LYS 28 Cb -0.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1m94 h LYS 28 CO -0.02 0.61 0.24 0.87 -0.57 0.00 0.00 179.45 180.58 1m94 h LYS 29 N 0.14 0.99 -0.28 3.15 1.57 -0.36 0.12 116.57 121.90 1m94 h LYS 29 Ca 0.01 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 1m94 h LYS 29 Cb 0.88 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1m94 h LYS 29 CO 0.07 0.84 -0.36 0.28 -0.57 0.00 0.00 179.45 179.71 1m94 h VAL 30 N 0.93 1.29 0.07 0.50 2.07 -1.16 -3.10 116.25 116.84 1m94 h VAL 30 Ca 0.22 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1m94 h VAL 30 Cb 0.23 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1m94 h VAL 30 CO -0.01 0.48 -0.03 -0.07 0.02 0.00 0.00 177.57 177.96 1m94 h LEU 31 N 0.53 -0.08 -1.77 2.57 3.38 -1.11 -3.05 115.31 115.79 1m94 h LEU 31 Ca 0.05 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.65 1m94 h LEU 31 Cb 0.86 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1m94 h LEU 31 CO 0.07 0.40 0.46 0.77 0.09 0.00 0.00 178.44 180.23 1m94 h SER 32 N -0.57 0.00 -0.05 -0.43 4.64 -0.77 -0.30 113.55 116.07 1m94 h SER 32 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1m94 h SER 32 Cb 0.49 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1m94 h SER 32 CO 0.02 0.00 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.23 1m94 h LEU 33 N 0.00 0.67 0.11 5.97 3.38 -1.46 0.13 115.31 124.12 1m94 h LEU 33 Ca 0.07 -0.71 -0.29 0.00 0.09 0.00 0.00 57.88 57.04 1m94 h LEU 33 Cb 0.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1m94 h LEU 33 CO -0.00 1.28 -1.42 0.06 0.09 0.00 0.00 178.44 178.46 1m94 h GLN 34 N 0.12 0.23 0.00 1.13 3.07 -1.17 -3.36 115.11 115.13 1m94 h GLN 34 Ca -0.07 -0.40 -0.21 0.00 0.09 0.00 0.00 58.65 58.05 1m94 h GLN 34 Cb 1.35 0.15 -0.04 0.00 0.08 0.00 0.00 27.48 29.02 1m94 h GLN 34 CO 0.13 1.12 -1.66 0.44 0.09 0.00 0.00 178.83 178.95 1m94 n ILE 35 N -3.46 1.23 -2.86 1.86 -5.35 -0.51 -4.99 119.36 105.28 1m94 n ILE 35 Ca -0.13 -0.73 -0.09 0.00 -0.27 0.00 0.00 62.75 61.53 1m94 n ILE 35 Cb 1.03 -0.71 0.03 0.00 -1.74 0.00 0.00 39.64 38.25 1m94 n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m94 n GLY 36 N 1.47 0.31 0.10 3.28 0.00 0.46 -4.94 105.19 105.87 1m94 n GLY 36 Ca -0.14 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.63 1m94 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m94 n THR 37 N -3.25 0.00 -1.08 2.61 -1.04 -1.23 -5.05 114.28 105.25 1m94 n THR 37 Ca -0.02 -0.33 0.08 0.00 -2.04 0.00 0.00 64.05 61.74 1m94 n THR 37 Cb 0.53 1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 70.05 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m94 n GLN 38 N -0.81 -2.62 0.18 -2.82 3.00 -1.26 -3.44 117.38 109.62 1m94 n GLN 38 Ca 0.03 2.11 0.14 0.00 -0.01 0.00 0.00 57.00 59.26 1m94 n GLN 38 Cb 0.17 -2.86 0.47 0.00 0.00 0.00 0.00 30.24 28.03 1m94 n GLN 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1m94 h PRO 39 N -0.63 0.00 0.00 -1.09 0.13 -1.92 -2.76 132.00 125.73 1m94 h PRO 39 Ca -0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.97 1m94 h PRO 39 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1m94 h PRO 39 CO 0.04 0.00 -0.57 -0.91 -0.23 0.00 0.00 178.00 176.33 1m94 h ASN 40 N 0.00 0.00 -0.20 1.44 2.35 -1.93 -3.30 115.58 113.94 1m94 h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1m94 h ASN 40 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1m94 h ASN 40 CO 0.00 0.28 0.00 1.17 -1.65 0.00 0.00 177.43 177.23 1m94 n LYS 41 N -3.05 1.80 -4.14 0.81 0.00 -1.14 -4.82 118.16 107.62 1m94 n LYS 41 Ca 0.00 -1.75 -0.34 0.00 0.00 0.00 0.00 58.31 56.22 1m94 n LYS 41 Cb 0.66 -1.33 -0.10 0.00 0.00 0.00 0.00 35.03 34.26 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1m94 s ILE 42 N -1.17 4.56 -0.24 3.15 1.01 -1.06 -1.92 121.20 125.53 1m94 s ILE 42 Ca 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1m94 s ILE 42 Cb 0.14 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.65 1m94 s ILE 42 CO 0.20 0.50 -0.07 -0.69 0.00 0.00 0.00 174.94 174.88 1m94 s VAL 43 N 0.13 1.72 0.09 2.92 1.01 0.51 -4.88 120.40 121.90 1m94 s VAL 43 Ca 0.03 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 1m94 s VAL 43 Cb -0.13 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1m94 s VAL 43 CO 0.01 -0.07 0.26 -0.76 0.00 0.00 0.00 175.10 174.54 1m94 s LEU 44 N 1.31 4.33 0.02 3.92 1.02 -1.26 -0.56 118.68 127.46 1m94 s LEU 44 Ca -0.07 0.35 0.01 0.00 0.02 0.00 0.00 54.13 54.44 1m94 s LEU 44 Cb -0.19 -3.05 -0.01 0.00 0.02 0.00 0.00 46.19 42.95 1m94 s LEU 44 CO -0.06 0.13 -0.04 -1.10 0.02 0.00 0.00 176.35 175.30 1m94 s GLN 45 N -2.59 0.34 -0.11 1.70 -0.21 -0.22 -0.48 119.66 118.09 1m94 s GLN 45 Ca 0.37 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.28 1m94 s GLN 45 Cb -0.13 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.68 1m94 s GLN 45 CO 0.27 0.04 -0.13 0.87 -2.12 0.00 0.00 175.29 174.22 1m94 h LYS 46 N 5.32 0.00 -0.65 2.91 1.79 -1.69 -0.36 116.57 123.88 1m94 h LYS 46 Ca -0.30 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.84 1m94 h LYS 46 Cb 1.20 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.63 1m94 h LYS 46 CO 0.46 0.00 -0.69 0.41 -1.08 0.00 0.00 179.45 178.55 1m94 n GLY 47 N 1.66 1.14 0.92 3.86 0.00 -1.26 -4.66 105.19 106.84 1m94 n GLY 47 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1m94 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m94 n GLY 48 N 1.19 0.77 3.04 -0.02 0.00 -1.26 -5.06 105.19 103.86 1m94 n GLY 48 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1m94 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m94 s SER 49 N -2.25 1.12 0.30 1.61 1.04 -1.26 -5.14 113.70 109.12 1m94 s SER 49 Ca 0.00 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 55.92 1m94 s SER 49 Cb 0.00 -0.10 -0.10 0.00 0.10 0.00 0.00 66.02 65.92 1m94 s SER 49 CO 0.00 0.07 0.96 0.54 0.98 0.00 0.00 173.24 175.79 1m94 s VAL 50 N -0.41 4.10 -0.24 5.02 0.11 -1.26 -1.85 120.40 125.87 1m94 s VAL 50 Ca 0.02 1.86 -0.17 0.00 -2.93 0.00 0.00 61.98 60.76 1m94 s VAL 50 Cb -0.05 -4.09 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 1m94 s VAL 50 CO -0.00 0.26 0.49 -0.76 -3.33 0.00 0.00 175.10 171.75 1m94 s LEU 51 N -1.78 4.09 0.13 2.54 1.43 0.37 -4.88 118.68 120.57 1m94 s LEU 51 Ca 0.47 0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.90 1m94 s LEU 51 Cb -0.22 -2.63 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 1m94 s LEU 51 CO 0.27 -0.22 0.66 -0.75 0.23 0.00 0.00 176.35 176.55 1m94 s LYS 52 N 1.96 4.32 0.54 1.70 2.20 -1.26 -4.67 119.74 124.53 1m94 s LYS 52 Ca 0.21 0.89 0.21 0.00 -0.36 0.00 0.00 55.97 56.92 1m94 s LYS 52 Cb -0.15 -3.19 1.46 0.00 -1.51 0.00 0.00 37.83 34.43 1m94 s LYS 52 CO 0.09 0.58 2.18 -0.44 -0.36 0.00 0.00 175.35 177.40 1m94 h ASP 53 N 4.28 0.00 0.83 1.43 3.32 -1.97 -1.08 116.42 123.23 1m94 h ASP 53 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1m94 h ASP 53 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1m94 h ASP 53 CO 0.65 0.02 -0.12 0.45 -1.72 0.00 0.00 179.24 178.52 1m94 h HIS 54 N 0.00 0.00 -3.58 4.55 3.86 -1.96 -3.18 115.15 114.84 1m94 h HIS 54 Ca -0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 1m94 h HIS 54 Cb 0.03 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1m94 h HIS 54 CO 0.00 0.12 0.06 0.42 0.86 0.00 0.00 177.93 179.39 1m94 s ILE 55 N -3.76 4.68 0.34 2.45 -1.09 -0.41 -4.94 121.20 118.47 1m94 s ILE 55 Ca 0.00 1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 59.33 1m94 s ILE 55 Cb 0.10 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1m94 s ILE 55 CO 0.58 0.04 0.73 -0.55 -1.23 0.00 0.00 174.94 174.52 1m94 s SER 56 N -1.95 6.66 0.36 3.58 0.15 -1.26 -1.41 113.70 119.83 1m94 s SER 56 Ca 0.47 1.19 0.03 0.00 0.70 0.00 0.00 55.95 58.34 1m94 s SER 56 Cb -0.14 -2.34 0.68 0.00 -1.71 0.00 0.00 66.02 62.51 1m94 s SER 56 CO 0.19 -0.27 2.02 -0.07 1.20 0.00 0.00 173.24 176.32 1m94 h LEU 57 N 1.90 0.67 -1.18 3.45 3.38 -1.14 -1.27 115.31 121.12 1m94 h LEU 57 Ca -0.48 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 1m94 h LEU 57 Cb 1.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1m94 h LEU 57 CO 0.65 0.49 0.04 -0.33 0.09 0.00 0.00 178.44 179.39 1m94 h GLU 58 N 0.79 0.61 -0.31 1.13 5.08 -1.12 -1.23 114.58 119.53 1m94 h GLU 58 Ca 0.21 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1m94 h GLU 58 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1m94 h GLU 58 CO -0.04 0.60 0.03 -0.44 -1.00 0.00 0.00 179.01 178.16 1m94 h ASP 59 N 0.59 0.51 0.91 1.42 3.32 -1.54 -2.37 116.42 119.27 1m94 h ASP 59 Ca 0.13 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1m94 h ASP 59 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1m94 h ASP 59 CO 0.01 0.66 0.00 1.88 -1.72 0.00 0.00 179.24 180.07 1m94 h TYR 60 N 0.34 0.00 -3.50 4.55 0.05 -1.17 -3.48 116.97 113.77 1m94 h TYR 60 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1m94 h TYR 60 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1m94 h TYR 60 CO 0.03 0.00 -0.00 -1.91 -1.05 0.00 0.00 178.16 175.22 1m94 n GLU 61 N -2.50 -0.29 -3.42 4.88 4.07 -0.49 -5.02 120.64 117.87 1m94 n GLU 61 Ca 0.02 0.72 -0.42 0.00 -0.06 0.00 0.00 57.16 57.42 1m94 n GLU 61 Cb 0.28 -2.39 -0.10 0.00 -0.06 0.00 0.00 31.44 29.16 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1m94 s VAL 62 N -2.92 5.20 0.50 6.31 1.01 -1.05 -5.04 120.40 124.40 1m94 s VAL 62 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1m94 s VAL 62 Cb -0.00 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1m94 s VAL 62 CO 0.16 -0.22 0.71 -1.00 0.00 0.00 0.00 175.10 174.75 1m94 s HIS 63 N 1.90 2.95 0.26 5.22 3.76 -1.26 -4.89 115.29 123.23 1m94 s HIS 63 Ca 0.09 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.69 1m94 s HIS 63 Cb -0.17 -2.56 -0.09 0.00 1.11 0.00 0.00 32.58 30.86 1m94 s HIS 63 CO 0.11 -0.65 1.25 0.34 -0.85 0.00 0.00 174.74 174.94 1m94 s ASP 64 N -4.35 6.97 -1.42 1.40 2.15 -1.26 -2.84 116.67 117.32 1m94 s ASP 64 Ca 0.54 2.45 -0.03 0.00 0.43 0.00 0.00 52.55 55.93 1m94 s ASP 64 Cb -0.10 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1m94 s ASP 64 CO 0.37 -0.42 0.44 0.00 -0.17 0.00 0.00 175.17 175.40 1m94 n GLN 65 N 1.66 -3.82 -2.91 4.34 3.00 0.17 -4.98 117.38 114.85 1m94 n GLN 65 Ca 0.02 0.82 -0.29 0.00 -0.01 0.00 0.00 57.00 57.55 1m94 n GLN 65 Cb 0.43 -5.44 -0.02 0.00 0.00 0.00 0.00 30.24 25.21 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1m94 s THR 66 N -3.07 4.88 -0.24 5.09 -1.32 -1.13 -4.87 115.64 114.97 1m94 s THR 66 Ca 0.22 0.36 -0.12 0.00 -1.21 0.00 0.00 61.69 60.94 1m94 s THR 66 Cb -0.10 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.07 1m94 s THR 66 CO 0.27 -0.57 0.22 0.21 -2.21 0.00 0.00 174.62 172.54 1m94 s ASN 67 N -3.44 6.18 0.35 8.08 2.47 -1.26 -2.38 114.94 124.95 1m94 s ASN 67 Ca 0.48 0.19 0.09 0.00 0.42 0.00 0.00 52.86 54.04 1m94 s ASN 67 Cb -0.10 -2.14 -0.06 0.00 -1.45 0.00 0.00 41.25 37.50 1m94 s ASN 67 CO 0.35 0.02 0.04 -0.76 -3.72 0.00 0.00 177.10 173.02 1m94 s LEU 68 N 1.21 3.00 -0.01 3.21 1.43 0.52 -4.97 118.68 123.07 1m94 s LEU 68 Ca 0.10 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 1m94 s LEU 68 Cb -0.14 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1m94 s LEU 68 CO 0.06 -0.30 0.01 -0.70 0.23 0.00 0.00 176.35 175.65 1m94 s GLU 69 N -3.74 2.84 0.10 1.70 -6.30 -0.15 -0.95 118.70 112.20 1m94 s GLU 69 Ca 0.36 -0.57 0.08 0.00 -2.50 0.00 0.00 54.97 52.34 1m94 s GLU 69 Cb 0.01 -2.70 -0.03 0.00 0.00 0.00 0.00 34.13 31.40 1m94 s GLU 69 CO 0.20 0.64 -0.22 -1.17 0.02 0.00 0.00 175.26 174.73 1m94 s LEU 70 N -1.50 2.29 -0.11 2.70 2.96 0.21 -1.06 118.68 124.17 1m94 s LEU 70 Ca 0.19 -0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 1m94 s LEU 70 Cb -0.12 -0.93 0.04 0.00 0.50 0.00 0.00 46.19 45.68 1m94 s LEU 70 CO 0.10 0.08 0.43 -0.31 -1.32 0.00 0.00 176.35 175.32 1m94 s TYR 71 N -1.12 -0.42 -0.46 5.38 2.02 0.28 -4.14 117.35 118.89 1m94 s TYR 71 Ca 0.07 0.93 -0.14 0.00 -0.37 0.00 0.00 57.07 57.56 1m94 s TYR 71 Cb -0.10 0.17 0.07 0.00 -0.40 0.00 0.00 41.96 41.70 1m94 s TYR 71 CO 0.04 -0.31 0.37 0.71 -1.57 0.00 0.00 175.55 174.79 1m94 s TYR 72 N -0.31 3.26 0.00 2.71 2.02 -1.26 -0.36 117.35 123.41 1m94 s TYR 72 Ca -0.05 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.60 1m94 s TYR 72 Cb -0.03 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 1m94 s TYR 72 CO 0.02 -0.81 0.00 -0.11 -1.57 0.00 0.00 175.55 173.09