#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 2.05 -0.31 1.12 -4.36 -0.54 -4.92 121.20 114.24 1m94 s ILE 2 Ca 0.00 -2.26 -0.06 0.00 -0.26 0.00 0.00 60.65 58.07 1m94 s ILE 2 Cb 0.00 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.40 1m94 s ILE 2 CO 0.00 -0.39 0.08 -0.70 0.24 0.00 0.00 174.94 174.17 1m94 s GLU 3 N -3.61 2.91 0.18 0.37 -6.30 -1.26 -1.59 118.70 109.40 1m94 s GLU 3 Ca 0.28 -0.98 0.08 0.00 -2.50 0.00 0.00 54.97 51.86 1m94 s GLU 3 Cb -0.01 -3.39 -0.04 0.00 0.00 0.00 0.00 34.13 30.70 1m94 s GLU 3 CO 0.12 -0.52 -0.05 0.14 0.02 0.00 0.00 175.26 174.98 1m94 s VAL 4 N 1.46 3.47 -0.09 3.70 -7.23 -0.32 -0.50 120.40 120.89 1m94 s VAL 4 Ca 0.01 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1m94 s VAL 4 Cb -0.18 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1m94 s VAL 4 CO 0.02 -0.11 -0.09 0.68 -0.31 0.00 0.00 175.10 175.29 1m94 s VAL 5 N -1.72 3.51 -0.16 1.32 -7.23 -0.72 -1.43 120.40 113.96 1m94 s VAL 5 Ca 0.26 -0.53 0.02 0.00 -1.81 0.00 0.00 61.98 59.92 1m94 s VAL 5 Cb -0.09 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1m94 s VAL 5 CO 0.17 0.56 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.62 1m94 s VAL 6 N -0.35 2.04 -0.07 1.32 1.01 0.23 -0.27 120.40 124.30 1m94 s VAL 6 Ca 0.05 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1m94 s VAL 6 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1m94 s VAL 6 CO 0.02 0.54 -0.04 0.20 0.00 0.00 0.00 175.10 175.82 1m94 s ASN 7 N 1.03 4.85 0.00 3.32 0.01 -0.42 -0.84 114.94 122.88 1m94 s ASN 7 Ca -0.02 0.04 0.29 0.00 -0.71 0.00 0.00 52.86 52.46 1m94 s ASN 7 Cb -0.14 -1.27 1.34 0.00 0.41 0.00 0.00 41.25 41.59 1m94 s ASN 7 CO -0.07 0.37 1.97 0.47 -1.51 0.00 0.00 177.10 178.33 1m94 n ASP 8 N 2.19 0.00 -2.33 -1.22 8.00 0.22 -0.08 116.55 123.33 1m94 n ASP 8 Ca -0.18 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.40 1m94 n ASP 8 Cb 0.53 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1m94 n ASP 8 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1m94 n ARG 9 N -1.42 -3.56 0.21 -1.24 3.00 -1.26 -4.67 116.66 107.71 1m94 n ARG 9 Ca 0.10 0.72 0.00 0.00 -0.01 0.00 0.00 57.85 58.65 1m94 n ARG 9 Cb 0.30 -5.15 0.00 0.00 0.00 0.00 0.00 32.46 27.61 1m94 n ARG 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1m94 n LEU 10 N -3.10 -3.25 -2.40 0.55 4.32 -1.26 -5.04 117.00 106.82 1m94 n LEU 10 Ca -0.10 0.80 -0.03 0.00 -0.02 0.00 0.00 56.01 56.66 1m94 n LEU 10 Cb 0.60 3.08 0.01 0.00 -1.62 0.00 0.00 43.42 45.49 1m94 n LEU 10 CO 0.35 0.04 0.53 0.61 -1.22 0.00 0.00 177.39 177.71 1m94 n GLY 11 N -0.79 -0.36 3.47 -0.72 0.00 -1.26 -5.14 105.19 100.38 1m94 n GLY 11 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 0.05 0.59 -0.19 1.61 2.20 -1.26 -5.03 119.74 117.71 1m94 s LYS 12 Ca 0.05 0.96 -0.03 0.00 -0.36 0.00 0.00 55.97 56.59 1m94 s LYS 12 Cb 0.11 0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.63 1m94 s LYS 12 CO -0.03 -0.13 0.04 0.21 -0.36 0.00 0.00 175.35 175.08 1m94 s LYS 13 N 1.19 0.61 -0.09 4.03 2.36 -1.26 -0.61 119.74 125.96 1m94 s LYS 13 Ca -0.07 -0.41 0.03 0.00 -2.55 0.00 0.00 55.97 52.97 1m94 s LYS 13 Cb -0.06 -2.09 -0.01 0.00 -1.05 0.00 0.00 37.83 34.62 1m94 s LYS 13 CO -0.12 -0.65 -0.20 0.08 1.55 0.00 0.00 175.35 176.01 1m94 s VAL 14 N 1.87 2.44 0.05 4.02 1.01 -0.02 -4.98 120.40 124.80 1m94 s VAL 14 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1m94 s VAL 14 Cb -0.17 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1m94 s VAL 14 CO -0.08 0.55 0.14 0.00 0.00 0.00 0.00 175.10 175.72 1m94 s ARG 15 N 0.14 3.19 -0.01 2.72 1.70 -1.26 -0.60 118.95 124.82 1m94 s ARG 15 Ca -0.10 -0.53 -0.21 0.00 -0.47 0.00 0.00 55.73 54.42 1m94 s ARG 15 Cb -0.16 -2.91 0.04 0.00 -0.57 0.00 0.00 34.95 31.35 1m94 s ARG 15 CO 0.06 0.60 0.45 0.54 -1.08 0.00 0.00 175.30 175.88 1m94 s VAL 16 N -1.41 0.04 -0.03 4.99 0.11 -0.52 -4.95 120.40 118.63 1m94 s VAL 16 Ca 0.31 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1m94 s VAL 16 Cb -0.13 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1m94 s VAL 16 CO 0.23 -0.17 -0.09 -1.59 -3.33 0.00 0.00 175.10 170.15 1m94 s LYS 17 N -1.56 2.58 0.07 1.54 -2.85 -1.26 -1.17 119.74 117.09 1m94 s LYS 17 Ca -0.11 -0.67 -0.26 0.00 -1.00 0.00 0.00 55.97 53.94 1m94 s LYS 17 Cb -0.03 -2.49 0.07 0.00 -2.06 0.00 0.00 37.83 33.32 1m94 s LYS 17 CO 0.04 0.63 0.62 0.00 0.10 0.00 0.00 175.35 176.74 1m94 s LEU 19 N -2.08 4.14 0.57 0.00 1.43 -1.26 -1.46 118.68 120.01 1m94 s LEU 19 Ca -0.04 1.80 0.33 0.00 -1.03 0.00 0.00 54.13 55.19 1m94 s LEU 19 Cb -0.01 -4.27 1.72 0.00 0.03 0.00 0.00 46.19 43.67 1m94 s LEU 19 CO -0.03 -0.26 2.15 0.00 0.23 0.00 0.00 176.35 178.44 1m94 h ALA 20 N 2.53 1.20 0.00 4.21 0.00 -1.95 -1.38 119.26 123.87 1m94 h ALA 20 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1m94 h ALA 20 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1m94 h ALA 20 CO 0.63 0.07 -0.57 1.05 0.00 0.00 0.00 179.25 180.43 1m94 h GLU 21 N 0.00 0.00 -7.12 0.00 4.11 -1.93 0.25 114.58 109.89 1m94 h GLU 21 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.88 1m94 h GLU 21 Cb 0.24 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.64 1m94 h GLU 21 CO 0.01 0.00 0.49 -0.51 0.07 0.00 0.00 179.01 179.07 1m94 s ASP 22 N -4.30 4.64 0.61 3.06 1.01 -0.52 -4.63 116.67 116.54 1m94 s ASP 22 Ca 0.06 2.54 -0.12 0.00 0.71 0.00 0.00 52.55 55.74 1m94 s ASP 22 Cb 0.13 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1m94 s ASP 22 CO 0.71 -1.98 1.03 -0.94 0.21 0.00 0.00 175.17 174.20 1m94 s SER 23 N -1.53 6.10 0.30 0.27 1.04 -1.26 -1.40 113.70 117.23 1m94 s SER 23 Ca 0.80 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 58.74 1m94 s SER 23 Cb -0.35 -2.49 0.47 0.00 0.10 0.00 0.00 66.02 63.76 1m94 s SER 23 CO 0.39 -0.95 1.91 0.58 0.98 0.00 0.00 173.24 176.15 1m94 h VAL 24 N -0.12 1.20 -0.89 5.02 2.07 -1.56 -1.76 116.25 120.21 1m94 h VAL 24 Ca -0.45 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1m94 h VAL 24 Cb 1.19 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1m94 h VAL 24 CO 0.61 0.24 0.57 1.23 0.02 0.00 0.00 177.57 180.24 1m94 h GLY 25 N 0.97 1.32 1.07 2.17 0.00 -1.79 -0.29 103.07 106.52 1m94 h GLY 25 Ca 0.22 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1m94 h GLY 25 CO -0.03 0.33 0.11 -1.80 0.00 0.00 0.00 176.54 175.15 1m94 h ASP 26 N 1.07 1.07 -0.58 0.19 1.82 -1.69 -1.81 116.42 116.49 1m94 h ASP 26 Ca 0.37 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1m94 h ASP 26 Cb 0.09 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.78 1m94 h ASP 26 CO -0.15 1.06 0.38 0.15 -1.61 0.00 0.00 179.24 179.07 1m94 h PHE 27 N 1.04 0.74 -0.19 0.28 3.04 -0.54 -1.71 116.94 119.61 1m94 h PHE 27 Ca 0.21 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.10 1m94 h PHE 27 Cb 0.44 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1m94 h PHE 27 CO 0.03 0.48 -0.16 0.87 -2.02 0.00 0.00 178.31 177.51 1m94 h LYS 28 N 0.79 0.32 -0.51 1.11 1.57 -0.83 -1.67 116.57 117.35 1m94 h LYS 28 Ca 0.21 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.80 1m94 h LYS 28 Cb -0.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1m94 h LYS 28 CO -0.04 0.48 -0.11 0.87 -0.57 0.00 0.00 179.45 180.08 1m94 h LYS 29 N 0.30 0.98 -0.06 3.15 1.57 -0.51 0.13 116.57 122.13 1m94 h LYS 29 Ca 0.06 -0.37 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 1m94 h LYS 29 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1m94 h LYS 29 CO 0.03 1.04 -0.51 0.28 -0.57 0.00 0.00 179.45 179.71 1m94 h VAL 30 N 0.84 1.36 -0.03 0.50 2.07 -1.02 -3.16 116.25 116.81 1m94 h VAL 30 Ca 0.13 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1m94 h VAL 30 Cb 0.67 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1m94 h VAL 30 CO 0.05 0.52 -0.19 0.25 0.02 0.00 0.00 177.57 178.22 1m94 h LEU 31 N 0.14 0.21 -1.92 2.57 7.12 -1.02 -3.22 115.31 119.18 1m94 h LEU 31 Ca 0.00 -0.69 0.19 0.00 0.13 0.00 0.00 57.88 57.51 1m94 h LEU 31 Cb 0.95 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.99 1m94 h LEU 31 CO 0.08 0.87 0.58 0.77 -0.13 0.00 0.00 178.44 180.60 1m94 h SER 32 N -0.43 0.00 -0.36 1.25 4.64 -0.73 0.68 113.55 118.60 1m94 h SER 32 Ca -0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 1m94 h SER 32 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1m94 h SER 32 CO 0.04 0.00 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.69 1m94 h LEU 33 N 0.00 0.88 0.00 5.97 3.38 -1.55 0.30 115.31 124.29 1m94 h LEU 33 Ca 0.31 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1m94 h LEU 33 Cb 1.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1m94 h LEU 33 CO -0.00 1.08 -0.25 1.56 0.09 0.00 0.00 178.44 180.92 1m94 h GLN 34 N 0.74 0.00 0.00 1.13 4.20 -1.03 -3.36 115.11 116.80 1m94 h GLN 34 Ca 0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1m94 h GLN 34 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1m94 h GLN 34 CO 0.06 0.64 -0.20 -0.84 -0.67 0.00 0.00 178.83 177.83 1m94 h ILE 35 N -1.00 0.43 -4.16 2.54 3.07 -1.41 -3.47 117.51 113.52 1m94 h ILE 35 Ca -0.06 -1.14 -0.25 0.00 1.55 0.00 0.00 64.86 64.97 1m94 h ILE 35 Cb 0.73 1.83 0.09 0.00 -0.27 0.00 0.00 36.82 39.20 1m94 h ILE 35 CO -0.03 0.19 -0.45 0.61 -1.05 0.00 0.00 178.15 177.42 1m94 n GLY 36 N 0.37 -0.02 0.04 0.16 0.00 0.10 -4.92 105.19 100.92 1m94 n GLY 36 Ca 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.92 0.00 -0.71 2.61 -1.04 -1.20 -5.05 114.28 104.96 1m94 n THR 37 Ca -0.03 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1m94 n THR 37 Cb 0.55 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 70.08 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 -1.08 -1.87 -1.60 -2.82 10.64 -1.26 -4.09 117.38 115.30 1m94 n GLN 38 Ca 0.02 1.45 -0.42 0.00 -1.83 0.00 0.00 57.00 56.23 1m94 n GLN 38 Cb 0.17 -1.81 -0.02 0.00 -0.86 0.00 0.00 30.24 27.72 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1m94 n PRO 39 N -1.98 2.33 0.00 2.61 -0.04 -1.26 -3.42 135.00 133.24 1m94 n PRO 39 Ca 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1m94 n PRO 39 Cb 0.21 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 7.17 0.00 -1.63 3.54 2.85 -1.26 -4.93 115.26 121.00 1m94 n ASN 40 Ca 0.51 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 55.07 1m94 n ASN 40 Cb 0.40 0.12 0.37 0.00 1.24 0.00 0.00 39.78 41.91 1m94 n ASN 40 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1m94 n LYS 41 N -1.56 3.80 -3.57 1.20 4.01 -1.22 -4.90 118.16 115.91 1m94 n LYS 41 Ca 0.00 -2.93 -0.37 0.00 -0.51 0.00 0.00 58.31 54.50 1m94 n LYS 41 Cb 0.00 -1.92 -0.09 0.00 -0.51 0.00 0.00 35.03 32.51 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1m94 s ILE 42 N -1.87 5.31 -0.37 -0.18 1.01 -1.26 -1.83 121.20 122.02 1m94 s ILE 42 Ca 0.52 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.47 1m94 s ILE 42 Cb 0.34 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 39.33 1m94 s ILE 42 CO 0.25 0.30 0.13 -0.69 0.00 0.00 0.00 174.94 174.93 1m94 s VAL 43 N 1.29 3.13 0.06 2.92 1.01 0.65 -4.94 120.40 124.52 1m94 s VAL 43 Ca 0.10 -1.86 -0.03 0.00 0.00 0.00 0.00 61.98 60.19 1m94 s VAL 43 Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1m94 s VAL 43 CO 0.06 -0.50 0.26 -0.76 0.00 0.00 0.00 175.10 174.16 1m94 s LEU 44 N 1.16 4.34 0.01 3.92 1.43 -1.26 -1.15 118.68 127.13 1m94 s LEU 44 Ca 0.04 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1m94 s LEU 44 Cb -0.21 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 1m94 s LEU 44 CO -0.03 0.17 -0.07 -1.10 0.23 0.00 0.00 176.35 175.54 1m94 s GLN 45 N -2.35 0.55 -0.10 1.70 -0.21 -0.42 -0.42 119.66 118.41 1m94 s GLN 45 Ca 0.34 -0.40 -0.14 0.00 0.02 0.00 0.00 55.36 55.18 1m94 s GLN 45 Cb -0.13 -0.48 -0.11 0.00 1.00 0.00 0.00 33.01 33.29 1m94 s GLN 45 CO 0.24 0.12 0.44 -0.22 -2.12 0.00 0.00 175.29 173.75 1m94 h LYS 46 N 5.53 -0.08 0.00 2.91 1.63 -1.66 -1.66 116.57 123.24 1m94 h LYS 46 Ca -0.31 0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.32 1m94 h LYS 46 Cb 1.19 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 32.71 1m94 h LYS 46 CO 0.47 0.31 -0.18 0.41 -3.45 0.00 0.00 179.45 177.01 1m94 n GLY 47 N 1.40 -0.36 0.00 5.01 0.00 -1.26 -4.61 105.19 105.36 1m94 n GLY 47 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.34 2.29 3.38 -0.02 0.00 -1.26 -5.09 105.19 104.83 1m94 n GLY 48 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m94 s SER 49 N -1.77 3.42 0.44 1.61 0.15 -1.26 -5.12 113.70 111.17 1m94 s SER 49 Ca 0.00 -0.46 -0.19 0.00 0.70 0.00 0.00 55.95 55.99 1m94 s SER 49 Cb 0.00 -0.46 -0.10 0.00 -1.71 0.00 0.00 66.02 63.75 1m94 s SER 49 CO 0.00 0.29 0.94 0.68 1.20 0.00 0.00 173.24 176.35 1m94 s VAL 50 N -0.78 4.45 -0.18 4.45 -7.23 -1.26 -1.70 120.40 118.15 1m94 s VAL 50 Ca 0.12 1.38 -0.08 0.00 -1.81 0.00 0.00 61.98 61.59 1m94 s VAL 50 Cb -0.10 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 1m94 s VAL 50 CO 0.02 -0.40 0.09 -0.76 -0.31 0.00 0.00 175.10 173.73 1m94 s LEU 51 N -3.39 3.96 -0.03 1.32 1.43 0.44 -4.86 118.68 117.56 1m94 s LEU 51 Ca 0.61 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1m94 s LEU 51 Cb -0.09 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1m94 s LEU 51 CO 0.18 0.19 0.07 -0.54 0.23 0.00 0.00 176.35 176.47 1m94 s LYS 52 N 0.30 3.06 0.49 1.70 1.02 -1.26 -4.62 119.74 120.43 1m94 s LYS 52 Ca 0.05 -0.45 0.15 0.00 0.02 0.00 0.00 55.97 55.74 1m94 s LYS 52 Cb -0.12 -2.86 1.17 0.00 -0.52 0.00 0.00 37.83 35.50 1m94 s LYS 52 CO -0.01 0.67 2.09 0.38 -0.92 0.00 0.00 175.35 177.56 1m94 h ASP 53 N 4.39 0.15 0.25 2.83 2.03 -1.96 -1.15 116.42 122.95 1m94 h ASP 53 Ca -0.50 -0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.79 1m94 h ASP 53 Cb 1.19 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1m94 h ASP 53 CO 0.60 0.10 -0.04 0.45 -1.03 0.00 0.00 179.24 179.33 1m94 h HIS 54 N 0.17 0.00 -3.16 4.15 3.86 -1.96 -3.31 115.15 114.89 1m94 h HIS 54 Ca 0.11 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.67 1m94 h HIS 54 Cb 0.20 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.58 1m94 h HIS 54 CO -0.00 0.04 -0.59 0.42 0.86 0.00 0.00 177.93 178.65 1m94 s ILE 55 N -4.20 4.59 0.41 2.45 1.09 -0.44 -5.00 121.20 120.10 1m94 s ILE 55 Ca -0.03 -0.66 -0.05 0.00 -1.10 0.00 0.00 60.65 58.81 1m94 s ILE 55 Cb 0.13 -3.18 -0.04 0.00 -1.06 0.00 0.00 42.46 38.31 1m94 s ILE 55 CO 0.51 0.19 0.69 -0.55 -0.10 0.00 0.00 174.94 175.68 1m94 s SER 56 N -2.20 6.34 0.27 3.58 0.15 -1.26 -1.99 113.70 118.58 1m94 s SER 56 Ca 0.28 0.81 -0.03 0.00 0.70 0.00 0.00 55.95 57.71 1m94 s SER 56 Cb -0.12 -2.19 0.38 0.00 -1.71 0.00 0.00 66.02 62.38 1m94 s SER 56 CO 0.20 -0.42 1.92 -0.07 1.20 0.00 0.00 173.24 176.06 1m94 h LEU 57 N 0.74 1.05 -1.26 3.45 3.38 -1.38 -1.52 115.31 119.77 1m94 h LEU 57 Ca -0.48 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.57 1m94 h LEU 57 Cb 1.20 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1m94 h LEU 57 CO 0.63 0.71 0.55 -0.08 0.09 0.00 0.00 178.44 180.34 1m94 h GLU 58 N 1.21 0.82 -0.30 1.13 4.57 -0.71 0.15 114.58 121.46 1m94 h GLU 58 Ca 0.38 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.47 1m94 h GLU 58 Cb 0.01 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1m94 h GLU 58 CO -0.12 0.54 0.03 -0.44 -1.18 0.00 0.00 179.01 177.84 1m94 h ASP 59 N 0.84 0.49 0.99 1.04 3.32 -1.58 -2.38 116.42 119.14 1m94 h ASP 59 Ca 0.38 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1m94 h ASP 59 Cb 0.37 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1m94 h ASP 59 CO -0.15 0.64 0.00 1.88 -1.72 0.00 0.00 179.24 179.89 1m94 h TYR 60 N 0.31 0.00 -3.68 4.55 0.05 -1.10 -3.48 116.97 113.63 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 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1m94 h TYR 60 CO 0.03 0.00 -0.10 -1.91 -1.05 0.00 0.00 178.16 175.13 1m94 n GLU 61 N -2.58 -0.59 -3.30 4.88 0.00 0.44 -5.03 120.64 114.46 1m94 n GLU 61 Ca 0.02 0.91 -0.39 0.00 0.00 0.00 0.00 57.16 57.71 1m94 n GLU 61 Cb 0.30 -2.73 -0.06 0.00 0.00 0.00 0.00 31.44 28.94 1m94 n GLU 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1m94 s VAL 62 N -1.99 4.78 0.17 6.31 0.11 -1.14 -5.02 120.40 123.61 1m94 s VAL 62 Ca 0.05 1.18 0.09 0.00 -2.93 0.00 0.00 61.98 60.36 1m94 s VAL 62 Cb -0.01 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 1m94 s VAL 62 CO 0.22 0.55 -0.12 -2.28 -3.33 0.00 0.00 175.10 170.15 1m94 s HIS 63 N -1.07 2.59 0.35 1.54 2.46 -1.26 -4.96 115.29 114.93 1m94 s HIS 63 Ca 0.28 -0.24 -0.28 0.00 0.47 0.00 0.00 55.06 55.30 1m94 s HIS 63 Cb -0.19 -1.28 -0.10 0.00 -0.13 0.00 0.00 32.58 30.88 1m94 s HIS 63 CO 0.18 0.50 1.27 0.16 -2.47 0.00 0.00 174.74 174.38 1m94 s ASP 64 N -2.74 6.71 -1.60 9.88 -4.77 -1.26 -2.64 116.67 120.25 1m94 s ASP 64 Ca 0.24 2.61 -0.04 0.00 -3.30 0.00 0.00 52.55 52.05 1m94 s ASP 64 Cb -0.09 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 1m94 s ASP 64 CO 0.14 -0.57 0.52 0.00 0.70 0.00 0.00 175.17 175.97 1m94 n GLN 65 N 0.63 -4.47 -2.98 2.11 3.00 0.35 -4.97 117.38 111.06 1m94 n GLN 65 Ca 0.01 0.93 -0.29 0.00 -0.01 0.00 0.00 57.00 57.65 1m94 n GLN 65 Cb 0.43 -5.77 -0.02 0.00 0.00 0.00 0.00 30.24 24.87 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 -3.17 4.90 -0.26 5.09 -1.32 -1.08 -4.83 115.64 114.98 1m94 s THR 66 Ca 0.26 0.30 -0.12 0.00 -1.21 0.00 0.00 61.69 60.92 1m94 s THR 66 Cb -0.11 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 1m94 s THR 66 CO 0.32 -0.53 0.24 0.21 -2.21 0.00 0.00 174.62 172.64 1m94 s ASN 67 N -3.41 6.13 0.27 8.08 2.47 -1.26 -1.76 114.94 125.46 1m94 s ASN 67 Ca 0.48 0.14 0.09 0.00 0.42 0.00 0.00 52.86 53.98 1m94 s ASN 67 Cb -0.10 -2.14 -0.04 0.00 -1.45 0.00 0.00 41.25 37.51 1m94 s ASN 67 CO 0.34 -0.04 0.05 -0.76 -3.72 0.00 0.00 177.10 172.97 1m94 s LEU 68 N 1.56 3.33 -0.11 3.21 1.43 0.62 -4.77 118.68 123.95 1m94 s LEU 68 Ca 0.10 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1m94 s LEU 68 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1m94 s LEU 68 CO 0.08 -0.04 0.03 -1.61 0.23 0.00 0.00 176.35 175.05 1m94 s GLU 69 N -3.73 3.26 -0.09 1.70 8.01 -0.62 -1.30 118.70 125.93 1m94 s GLU 69 Ca 0.32 -0.35 0.04 0.00 0.01 0.00 0.00 54.97 54.99 1m94 s GLU 69 Cb -0.06 -2.94 -0.01 0.00 -4.31 0.00 0.00 34.13 26.81 1m94 s GLU 69 CO 0.21 0.62 -0.21 -1.17 0.01 0.00 0.00 175.26 174.73 1m94 s LEU 70 N -0.64 2.30 0.01 1.80 2.96 0.89 -1.31 118.68 124.70 1m94 s LEU 70 Ca 0.11 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1m94 s LEU 70 Cb -0.12 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 1m94 s LEU 70 CO 0.02 0.21 0.06 -0.31 -1.32 0.00 0.00 176.35 175.01 1m94 s TYR 71 N 0.07 0.12 -0.22 5.38 2.02 -0.30 -4.22 117.35 120.21 1m94 s TYR 71 Ca -0.09 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 1m94 s TYR 71 Cb -0.15 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 1m94 s TYR 71 CO 0.06 -0.22 0.08 0.71 -1.57 0.00 0.00 175.55 174.60 1m94 s TYR 72 N -1.29 3.19 0.00 2.71 2.02 -1.26 -0.26 117.35 122.46 1m94 s TYR 72 Ca -0.14 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1m94 s TYR 72 Cb -0.08 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 1m94 s TYR 72 CO 0.00 -0.07 0.00 -0.11 -1.57 0.00 0.00 175.55 173.81