#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 1.96 0.02 1.12 -4.36 0.16 -4.93 121.20 115.18 1m94 s ILE 2 Ca 0.00 -2.23 -0.00 0.00 -0.26 0.00 0.00 60.65 58.15 1m94 s ILE 2 Cb 0.00 -2.31 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 1m94 s ILE 2 CO 0.00 -0.40 0.14 -1.61 0.24 0.00 0.00 174.94 173.30 1m94 s GLU 3 N -3.63 3.21 0.07 0.37 8.01 -1.26 -1.32 118.70 124.14 1m94 s GLU 3 Ca 0.28 -0.47 0.02 0.00 0.01 0.00 0.00 54.97 54.80 1m94 s GLU 3 Cb 0.00 -2.93 -0.03 0.00 -4.31 0.00 0.00 34.13 26.85 1m94 s GLU 3 CO 0.12 0.63 -0.07 0.08 0.01 0.00 0.00 175.26 176.03 1m94 s VAL 4 N -1.34 0.59 -0.21 2.63 1.01 0.12 -0.17 120.40 123.04 1m94 s VAL 4 Ca 0.28 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1m94 s VAL 4 Cb -0.12 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.15 1m94 s VAL 4 CO 0.20 -0.64 -0.13 -0.69 0.00 0.00 0.00 175.10 173.83 1m94 s VAL 5 N -2.55 1.89 -0.36 2.92 1.01 -0.79 -1.99 120.40 120.54 1m94 s VAL 5 Ca 0.01 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 1m94 s VAL 5 Cb -0.02 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1m94 s VAL 5 CO -0.02 0.22 0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1m94 s VAL 6 N 1.29 4.68 -0.20 2.92 1.01 -0.10 -0.26 120.40 129.73 1m94 s VAL 6 Ca -0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1m94 s VAL 6 Cb -0.16 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1m94 s VAL 6 CO -0.09 -0.14 0.23 0.20 0.00 0.00 0.00 175.10 175.30 1m94 s ASN 7 N 1.59 6.27 -0.04 3.32 0.01 -0.28 -0.57 114.94 125.25 1m94 s ASN 7 Ca 0.03 0.31 -0.06 0.00 -0.71 0.00 0.00 52.86 52.43 1m94 s ASN 7 Cb -0.18 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1m94 s ASN 7 CO 0.07 0.08 0.36 0.44 -1.51 0.00 0.00 177.10 176.54 1m94 h ASP 8 N 7.08 -0.19 0.00 -1.22 5.19 -1.43 -0.08 116.42 125.76 1m94 h ASP 8 Ca -0.39 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1m94 h ASP 8 Cb 1.16 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1m94 h ASP 8 CO 0.72 0.09 0.00 0.54 -3.12 0.00 0.00 179.24 177.47 1m94 n ARG 9 N -3.91 0.00 -3.35 3.56 3.00 -1.26 -4.49 116.66 110.20 1m94 n ARG 9 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.83 1m94 n ARG 9 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 32.46 32.50 1m94 n ARG 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1m94 s LEU 10 N -5.67 -1.18 0.00 0.55 0.20 -1.26 -4.92 118.68 106.40 1m94 s LEU 10 Ca 0.00 1.09 0.00 0.00 0.69 0.00 0.00 54.13 55.91 1m94 s LEU 10 Cb 0.00 2.13 0.00 0.00 -0.43 0.00 0.00 46.19 47.89 1m94 s LEU 10 CO 0.00 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.45 1m94 n GLY 11 N 5.41 3.13 3.59 7.98 0.00 -1.26 -5.03 105.19 119.01 1m94 n GLY 11 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.32 3.95 -0.00 1.61 2.36 -1.26 -5.07 119.74 121.00 1m94 s LYS 12 Ca 0.00 -0.33 -0.07 0.00 -2.55 0.00 0.00 55.97 53.02 1m94 s LYS 12 Cb 0.00 -3.56 0.00 0.00 -1.05 0.00 0.00 37.83 33.22 1m94 s LYS 12 CO 0.00 -0.09 0.13 -1.59 1.55 0.00 0.00 175.35 175.35 1m94 s LYS 13 N 1.48 0.45 0.04 4.03 -2.85 -1.26 -1.53 119.74 120.11 1m94 s LYS 13 Ca 0.07 -0.36 0.07 0.00 -1.00 0.00 0.00 55.97 54.76 1m94 s LYS 13 Cb -0.15 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 1m94 s LYS 13 CO 0.08 -0.11 -0.21 0.08 0.10 0.00 0.00 175.35 175.29 1m94 s VAL 14 N -1.27 1.69 -0.20 1.79 1.01 0.26 -4.92 120.40 118.77 1m94 s VAL 14 Ca -0.14 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 1m94 s VAL 14 Cb -0.07 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1m94 s VAL 14 CO 0.01 0.21 0.12 -0.60 0.00 0.00 0.00 175.10 174.85 1m94 s ARG 15 N -1.19 4.15 -0.04 2.72 6.06 -1.26 -0.93 118.95 128.46 1m94 s ARG 15 Ca 0.08 -0.23 -0.01 0.00 -2.50 0.00 0.00 55.73 53.06 1m94 s ARG 15 Cb -0.09 -3.39 0.03 0.00 0.06 0.00 0.00 34.95 31.56 1m94 s ARG 15 CO 0.02 0.31 0.07 0.54 -2.50 0.00 0.00 175.30 173.74 1m94 s VAL 16 N 0.33 -0.05 -0.12 7.11 0.11 -0.84 -4.98 120.40 121.96 1m94 s VAL 16 Ca 0.08 0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1m94 s VAL 16 Cb -0.11 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1m94 s VAL 16 CO -0.02 0.07 -0.00 -1.59 -3.33 0.00 0.00 175.10 170.23 1m94 s LYS 17 N 0.94 3.29 0.22 1.54 -2.85 -1.26 -0.70 119.74 120.92 1m94 s LYS 17 Ca -0.08 -0.43 -0.20 0.00 -1.00 0.00 0.00 55.97 54.26 1m94 s LYS 17 Cb -0.10 -2.87 0.03 0.00 -2.06 0.00 0.00 37.83 32.83 1m94 s LYS 17 CO -0.03 0.53 0.62 0.00 0.10 0.00 0.00 175.35 176.56 1m94 s LEU 19 N -2.87 4.25 0.58 0.00 1.43 -1.26 -0.66 118.68 120.15 1m94 s LEU 19 Ca 0.09 1.21 0.34 0.00 -1.03 0.00 0.00 54.13 54.74 1m94 s LEU 19 Cb -0.03 -3.63 1.80 0.00 0.03 0.00 0.00 46.19 44.37 1m94 s LEU 19 CO -0.01 -0.02 2.18 0.00 0.23 0.00 0.00 176.35 178.74 1m94 h ALA 20 N 3.05 1.20 0.00 4.21 0.00 -1.96 -1.13 119.26 124.63 1m94 h ALA 20 Ca -0.48 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1m94 h ALA 20 Cb 1.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1m94 h ALA 20 CO 0.66 0.06 -0.13 1.05 0.00 0.00 0.00 179.25 180.89 1m94 h GLU 21 N 0.00 0.00 -7.25 0.00 -0.00 -1.95 -0.34 114.58 105.04 1m94 h GLU 21 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.85 1m94 h GLU 21 Cb 0.20 0.00 0.13 0.00 -0.00 0.00 0.00 28.75 29.08 1m94 h GLU 21 CO 0.01 0.13 0.34 -0.51 -0.00 0.00 0.00 179.01 178.97 1m94 s ASP 22 N -6.16 4.62 0.63 3.06 1.01 -0.43 -4.64 116.67 114.76 1m94 s ASP 22 Ca 0.05 1.96 0.03 0.00 0.71 0.00 0.00 52.55 55.30 1m94 s ASP 22 Cb 0.07 -2.54 0.09 0.00 1.01 0.00 0.00 42.92 41.55 1m94 s ASP 22 CO 0.66 -1.96 0.87 -0.94 0.21 0.00 0.00 175.17 174.01 1m94 s SER 23 N -2.90 4.81 0.48 0.27 1.04 -1.26 -0.47 113.70 115.66 1m94 s SER 23 Ca 0.65 -0.42 0.16 0.00 0.48 0.00 0.00 55.95 56.82 1m94 s SER 23 Cb -0.20 -0.16 1.13 0.00 0.10 0.00 0.00 66.02 66.89 1m94 s SER 23 CO 0.49 -1.51 2.06 0.58 0.98 0.00 0.00 173.24 175.83 1m94 h VAL 24 N -0.15 1.06 -0.62 5.02 2.07 -1.63 -1.98 116.25 120.01 1m94 h VAL 24 Ca -0.36 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1m94 h VAL 24 Cb 1.28 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 1m94 h VAL 24 CO 0.43 0.11 0.38 1.23 0.02 0.00 0.00 177.57 179.74 1m94 h GLY 25 N 0.34 0.89 1.26 2.17 0.00 -1.82 -0.75 103.07 105.17 1m94 h GLY 25 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1m94 h GLY 25 CO 0.01 0.23 -0.06 -0.55 0.00 0.00 0.00 176.54 176.18 1m94 h ASP 26 N 0.74 0.86 -0.74 0.19 3.32 -1.73 -1.71 116.42 117.35 1m94 h ASP 26 Ca 0.25 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1m94 h ASP 26 Cb 0.04 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1m94 h ASP 26 CO -0.11 0.96 0.45 0.15 -1.72 0.00 0.00 179.24 178.96 1m94 h PHE 27 N 0.80 0.83 -0.29 4.55 3.04 -0.87 -1.05 116.94 123.95 1m94 h PHE 27 Ca 0.14 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.97 1m94 h PHE 27 Cb 0.56 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.80 1m94 h PHE 27 CO 0.03 0.44 -0.41 0.87 -2.02 0.00 0.00 178.31 177.22 1m94 h LYS 28 N 0.84 0.70 -0.31 1.11 1.57 -0.86 -1.80 116.57 117.82 1m94 h LYS 28 Ca 0.31 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1m94 h LYS 28 Cb 0.11 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1m94 h LYS 28 CO -0.15 0.98 0.17 0.87 -0.57 0.00 0.00 179.45 180.76 1m94 h LYS 29 N 0.57 0.43 -0.41 3.15 1.57 -0.52 -1.18 116.57 120.18 1m94 h LYS 29 Ca 0.04 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1m94 h LYS 29 Cb 0.95 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1m94 h LYS 29 CO 0.09 0.36 -0.17 0.28 -0.57 0.00 0.00 179.45 179.44 1m94 h VAL 30 N 0.38 1.26 -0.82 0.50 2.07 -1.18 -2.85 116.25 115.62 1m94 h VAL 30 Ca 0.11 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1m94 h VAL 30 Cb 0.05 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1m94 h VAL 30 CO -0.02 0.42 0.53 0.25 0.02 0.00 0.00 177.57 178.78 1m94 h LEU 31 N 0.69 0.90 -1.95 2.57 7.12 -0.90 -1.71 115.31 122.03 1m94 h LEU 31 Ca 0.11 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.17 1m94 h LEU 31 Cb 0.66 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.56 1m94 h LEU 31 CO 0.05 0.64 0.21 -1.28 -0.13 0.00 0.00 178.44 177.92 1m94 h SER 32 N 1.06 0.06 0.21 1.25 0.87 -0.98 -0.38 113.55 115.64 1m94 h SER 32 Ca 0.31 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1m94 h SER 32 Cb -0.06 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1m94 h SER 32 CO -0.09 0.04 -0.35 -0.07 -0.53 0.00 0.00 176.83 175.83 1m94 h LEU 33 N 0.06 0.21 0.15 2.23 3.38 -1.31 0.37 115.31 120.41 1m94 h LEU 33 Ca 0.14 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 1m94 h LEU 33 Cb 0.46 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1m94 h LEU 33 CO -0.01 0.55 -1.24 1.56 0.09 0.00 0.00 178.44 179.40 1m94 h GLN 34 N 0.18 0.32 0.00 1.13 7.50 -1.11 -3.43 115.11 119.70 1m94 h GLN 34 Ca 0.02 -0.55 -0.16 0.00 0.50 0.00 0.00 58.65 58.46 1m94 h GLN 34 Cb 0.71 0.20 -0.03 0.00 0.05 0.00 0.00 27.48 28.41 1m94 h GLN 34 CO 0.05 1.26 -1.57 0.44 -1.50 0.00 0.00 178.83 177.51 1m94 n ILE 35 N -3.94 0.57 0.00 2.54 -5.35 -0.65 -5.08 119.36 107.45 1m94 n ILE 35 Ca -0.20 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1m94 n ILE 35 Cb 0.92 -1.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.50 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 2.63 0.71 0.01 3.28 0.00 0.13 -5.02 105.19 106.93 1m94 n GLY 36 Ca -0.19 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1m94 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m94 n THR 37 N 0.00 0.03 -0.71 2.61 -2.24 -1.26 -5.01 114.28 107.70 1m94 n THR 37 Ca 0.00 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.59 1m94 n THR 37 Cb 0.00 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m94 n GLN 38 N -1.88 -1.74 -1.42 -0.78 1.13 -1.26 -3.95 117.38 107.48 1m94 n GLN 38 Ca -0.03 1.39 -0.42 0.00 -1.94 0.00 0.00 57.00 56.01 1m94 n GLN 38 Cb 0.29 -1.88 -0.03 0.00 0.11 0.00 0.00 30.24 28.74 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1m94 n PRO 39 N -2.69 2.24 0.00 -1.09 -0.04 -1.26 -3.40 135.00 128.76 1m94 n PRO 39 Ca -0.03 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 1m94 n PRO 39 Cb 0.29 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1m94 n PRO 39 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1m94 n ASN 40 N 6.57 0.00 -1.39 3.54 5.15 -1.26 -4.92 115.26 122.95 1m94 n ASN 40 Ca 0.52 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.61 1m94 n ASN 40 Cb 0.38 0.25 0.33 0.00 -0.53 0.00 0.00 39.78 40.21 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1m94 n LYS 41 N -2.00 2.82 -3.69 1.20 4.81 -1.22 -4.89 118.16 115.18 1m94 n LYS 41 Ca 0.00 -2.68 -0.36 0.00 -0.87 0.00 0.00 58.31 54.40 1m94 n LYS 41 Cb 0.00 -1.61 -0.07 0.00 0.02 0.00 0.00 35.03 33.37 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1m94 s ILE 42 N -1.10 5.38 -0.26 3.15 1.01 -1.25 -1.88 121.20 126.24 1m94 s ILE 42 Ca 0.50 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.51 1m94 s ILE 42 Cb 0.26 -3.52 0.07 0.00 0.01 0.00 0.00 42.46 39.29 1m94 s ILE 42 CO 0.33 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 174.99 1m94 s VAL 43 N -0.01 1.89 -0.13 2.92 1.01 0.54 -4.88 120.40 121.74 1m94 s VAL 43 Ca 0.13 -1.57 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 1m94 s VAL 43 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1m94 s VAL 43 CO 0.02 -0.17 0.20 -0.76 0.00 0.00 0.00 175.10 174.40 1m94 s LEU 44 N 1.21 4.33 0.03 3.92 1.43 -1.26 -0.50 118.68 127.83 1m94 s LEU 44 Ca -0.04 0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1m94 s LEU 44 Cb -0.19 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1m94 s LEU 44 CO -0.07 0.29 -0.20 -1.10 0.23 0.00 0.00 176.35 175.50 1m94 s GLN 45 N -0.42 1.39 -0.55 1.70 -0.21 -0.80 -0.64 119.66 120.14 1m94 s GLN 45 Ca 0.15 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.71 1m94 s GLN 45 Cb -0.13 -1.45 0.15 0.00 1.00 0.00 0.00 33.01 32.58 1m94 s GLN 45 CO 0.04 0.38 0.34 0.21 -2.12 0.00 0.00 175.29 174.13 1m94 s LYS 46 N -0.98 1.83 -0.46 2.91 2.36 -0.55 -0.73 119.74 124.11 1m94 s LYS 46 Ca 0.07 -2.63 -0.00 0.00 -2.55 0.00 0.00 55.97 50.86 1m94 s LYS 46 Cb -0.08 -2.87 -0.00 0.00 -1.05 0.00 0.00 37.83 33.82 1m94 s LYS 46 CO 0.01 -1.21 0.39 0.41 1.55 0.00 0.00 175.35 176.50 1m94 n GLY 47 N 2.83 0.12 2.28 5.54 0.00 -1.26 -3.93 105.19 110.78 1m94 n GLY 47 Ca 0.13 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.11 0.21 3.07 -0.02 0.00 -1.26 -5.05 105.19 101.04 1m94 n GLY 48 Ca -0.10 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.33 -0.26 -0.14 1.61 1.04 -1.25 -5.13 113.70 106.24 1m94 s SER 49 Ca 0.15 0.52 -0.29 0.00 0.48 0.00 0.00 55.95 56.81 1m94 s SER 49 Cb -0.07 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1m94 s SER 49 CO 0.32 -0.15 1.08 -0.69 0.98 0.00 0.00 173.24 174.78 1m94 s VAL 50 N 0.99 4.61 -0.15 5.02 1.01 -1.26 -1.49 120.40 129.12 1m94 s VAL 50 Ca -0.07 1.91 -0.20 0.00 0.00 0.00 0.00 61.98 63.62 1m94 s VAL 50 Cb -0.08 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1m94 s VAL 50 CO -0.06 -0.06 0.60 -0.76 0.00 0.00 0.00 175.10 174.81 1m94 s LEU 51 N 2.53 4.21 0.03 3.92 1.43 0.19 -4.96 118.68 126.03 1m94 s LEU 51 Ca 0.49 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 1m94 s LEU 51 Cb -0.19 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 1m94 s LEU 51 CO 0.15 -0.17 -0.00 -0.54 0.23 0.00 0.00 176.35 176.01 1m94 s LYS 52 N 1.37 2.69 0.57 1.70 -0.14 -1.26 -4.55 119.74 120.13 1m94 s LYS 52 Ca 0.29 -0.69 0.29 0.00 -1.36 0.00 0.00 55.97 54.50 1m94 s LYS 52 Cb -0.16 -2.61 1.73 0.00 -1.68 0.00 0.00 37.83 35.11 1m94 s LYS 52 CO 0.12 0.60 2.21 0.38 -0.76 0.00 0.00 175.35 177.89 1m94 h ASP 53 N 4.06 0.00 0.59 2.83 2.03 -1.95 -1.33 116.42 122.64 1m94 h ASP 53 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1m94 h ASP 53 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1m94 h ASP 53 CO 0.58 0.03 0.00 1.41 -1.03 0.00 0.00 179.24 180.23 1m94 n HIS 54 N -3.79 0.24 -4.52 4.15 8.25 -1.26 -4.10 115.22 114.19 1m94 n HIS 54 Ca -0.03 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 1m94 n HIS 54 Cb 0.12 -0.65 -0.11 0.00 1.12 0.00 0.00 29.99 30.48 1m94 n HIS 54 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1m94 s ILE 55 N -3.09 3.69 0.53 1.59 1.09 -0.50 -5.03 121.20 119.48 1m94 s ILE 55 Ca 0.06 -0.65 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 1m94 s ILE 55 Cb 0.10 -2.57 -0.07 0.00 -1.06 0.00 0.00 42.46 38.86 1m94 s ILE 55 CO 0.31 0.47 1.02 -0.55 -0.10 0.00 0.00 174.94 176.10 1m94 s SER 56 N -1.18 6.26 0.42 3.58 0.15 -1.26 -2.41 113.70 119.26 1m94 s SER 56 Ca 0.15 1.74 0.11 0.00 0.70 0.00 0.00 55.95 58.65 1m94 s SER 56 Cb -0.11 -2.53 0.90 0.00 -1.71 0.00 0.00 66.02 62.57 1m94 s SER 56 CO 0.05 -0.84 1.99 -0.07 1.20 0.00 0.00 173.24 175.57 1m94 h LEU 57 N 0.92 0.21 -1.50 3.45 3.38 -0.86 -1.94 115.31 118.97 1m94 h LEU 57 Ca -0.47 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1m94 h LEU 57 Cb 1.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1m94 h LEU 57 CO 0.59 0.29 0.22 -0.08 0.09 0.00 0.00 178.44 179.55 1m94 h GLU 58 N 0.22 0.56 -0.32 1.13 4.57 -1.26 -0.48 114.58 118.99 1m94 h GLU 58 Ca 0.05 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1m94 h GLU 58 Cb 0.23 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1m94 h GLU 58 CO 0.01 0.41 0.06 -0.44 -1.18 0.00 0.00 179.01 177.87 1m94 h ASP 59 N 0.57 0.50 1.04 1.04 3.32 -1.65 -2.31 116.42 118.91 1m94 h ASP 59 Ca 0.15 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1m94 h ASP 59 Cb 0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1m94 h ASP 59 CO -0.02 0.63 0.00 1.88 -1.72 0.00 0.00 179.24 180.00 1m94 h TYR 60 N 0.35 0.00 -3.33 4.55 0.05 -1.40 -3.48 116.97 113.72 1m94 h TYR 60 Ca 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 1m94 h TYR 60 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1m94 h TYR 60 CO 0.02 0.00 -0.02 -1.91 -1.05 0.00 0.00 178.16 175.20 1m94 n GLU 61 N -2.55 -0.20 -3.64 4.88 4.07 -0.24 -5.04 120.64 117.92 1m94 n GLU 61 Ca 0.02 0.56 -0.39 0.00 -0.06 0.00 0.00 57.16 57.30 1m94 n GLU 61 Cb 0.31 -2.09 -0.12 0.00 -0.06 0.00 0.00 31.44 29.48 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 -3.01 4.52 0.47 6.31 1.01 -1.08 -5.03 120.40 123.59 1m94 s VAL 62 Ca 0.01 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1m94 s VAL 62 Cb -0.00 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.02 1m94 s VAL 62 CO 0.10 -0.06 0.32 1.41 0.00 0.00 0.00 175.10 176.88 1m94 n HIS 63 N 4.97 -0.55 -2.15 5.22 8.25 -1.26 -4.74 115.22 124.96 1m94 n HIS 63 Ca -0.13 -2.02 -0.41 0.00 -0.26 0.00 0.00 57.72 54.90 1m94 n HIS 63 Cb 0.48 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1m94 n HIS 63 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1m94 s ASP 64 N -3.75 6.83 -1.47 0.41 -1.08 -1.26 -2.83 116.67 113.51 1m94 s ASP 64 Ca 0.24 2.59 -0.06 0.00 -0.52 0.00 0.00 52.55 54.80 1m94 s ASP 64 Cb -0.02 -2.64 0.01 0.00 -1.46 0.00 0.00 42.92 38.81 1m94 s ASP 64 CO 0.15 -0.52 0.82 0.00 0.52 0.00 0.00 175.17 176.14 1m94 n GLN 65 N 1.42 -5.99 -3.14 4.34 3.00 0.76 -4.85 117.38 112.92 1m94 n GLN 65 Ca 0.02 0.87 -0.25 0.00 -0.01 0.00 0.00 57.00 57.63 1m94 n GLN 65 Cb 0.42 -5.78 -0.01 0.00 0.00 0.00 0.00 30.24 24.88 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 -3.23 5.04 -0.06 5.09 -1.32 -1.13 -4.92 115.64 115.11 1m94 s THR 66 Ca 0.40 -0.23 -0.08 0.00 -1.21 0.00 0.00 61.69 60.58 1m94 s THR 66 Cb -0.18 -3.86 -0.04 0.00 -1.51 0.00 0.00 72.50 66.91 1m94 s THR 66 CO 0.50 -0.65 0.21 0.21 -2.21 0.00 0.00 174.62 172.69 1m94 s ASN 67 N -4.03 6.47 0.12 8.08 3.84 -1.26 -1.88 114.94 126.29 1m94 s ASN 67 Ca 0.42 0.55 -0.03 0.00 0.21 0.00 0.00 52.86 54.02 1m94 s ASN 67 Cb -0.10 -2.09 -0.03 0.00 -0.55 0.00 0.00 41.25 38.48 1m94 s ASN 67 CO 0.39 0.35 0.10 -0.22 -2.79 0.00 0.00 177.10 174.92 1m94 s LEU 68 N -1.29 1.70 0.06 3.21 0.20 0.64 -4.85 118.68 118.34 1m94 s LEU 68 Ca 0.20 -1.08 0.05 0.00 0.69 0.00 0.00 54.13 53.99 1m94 s LEU 68 Cb -0.13 0.50 -0.04 0.00 -0.43 0.00 0.00 46.19 46.09 1m94 s LEU 68 CO 0.10 -0.74 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.75 1m94 s GLU 69 N -4.00 2.43 -0.08 1.98 8.01 0.09 -1.12 118.70 126.00 1m94 s GLU 69 Ca 0.19 -0.85 0.03 0.00 0.01 0.00 0.00 54.97 54.35 1m94 s GLU 69 Cb 0.07 -2.46 0.01 0.00 -4.31 0.00 0.00 34.13 27.43 1m94 s GLU 69 CO -0.01 0.55 -0.16 -1.17 0.01 0.00 0.00 175.26 174.49 1m94 s LEU 70 N -1.95 1.77 0.05 1.80 2.96 -0.05 -1.90 118.68 121.36 1m94 s LEU 70 Ca 0.21 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1m94 s LEU 70 Cb -0.11 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 1m94 s LEU 70 CO 0.13 0.07 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.84 1m94 s TYR 71 N 0.61 0.72 -0.23 5.38 1.51 0.34 -4.11 117.35 121.56 1m94 s TYR 71 Ca -0.15 -0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 55.28 1m94 s TYR 71 Cb -0.16 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 1m94 s TYR 71 CO 0.05 -0.09 0.03 0.71 -1.11 0.00 0.00 175.55 175.13 1m94 s TYR 72 N -1.76 3.04 0.00 2.71 2.02 -1.26 -0.34 117.35 121.76 1m94 s TYR 72 Ca -0.06 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 1m94 s TYR 72 Cb -0.07 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1m94 s TYR 72 CO -0.00 -0.41 0.00 -0.11 -1.57 0.00 0.00 175.55 173.46