#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 2.15 -0.18 1.12 -4.36 -0.39 -4.93 121.20 114.61 1m94 s ILE 2 Ca 0.00 -2.26 -0.01 0.00 -0.26 0.00 0.00 60.65 58.12 1m94 s ILE 2 Cb 0.00 -2.41 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 1m94 s ILE 2 CO 0.00 -0.34 -0.12 -0.70 0.24 0.00 0.00 174.94 174.02 1m94 s GLU 3 N -3.60 3.25 0.09 0.37 -6.30 -1.26 -1.10 118.70 110.15 1m94 s GLU 3 Ca 0.30 -0.72 0.10 0.00 -2.50 0.00 0.00 54.97 52.15 1m94 s GLU 3 Cb -0.00 -2.73 -0.04 0.00 0.00 0.00 0.00 34.13 31.36 1m94 s GLU 3 CO 0.14 -0.06 -0.26 0.14 0.02 0.00 0.00 175.26 175.24 1m94 s VAL 4 N 1.03 2.16 -0.11 3.70 -7.23 -0.30 0.12 120.40 119.78 1m94 s VAL 4 Ca -0.01 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1m94 s VAL 4 Cb -0.15 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 1m94 s VAL 4 CO -0.03 0.18 0.04 0.68 -0.31 0.00 0.00 175.10 175.67 1m94 s VAL 5 N -0.97 4.67 -0.16 1.32 -7.23 -1.02 -2.24 120.40 114.77 1m94 s VAL 5 Ca 0.12 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1m94 s VAL 5 Cb -0.10 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 33.84 1m94 s VAL 5 CO 0.04 0.59 -0.14 0.68 -0.31 0.00 0.00 175.10 175.97 1m94 s VAL 6 N -0.77 2.75 -0.29 1.32 -7.23 -0.76 -0.18 120.40 115.23 1m94 s VAL 6 Ca 0.12 -0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 1m94 s VAL 6 Cb -0.12 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1m94 s VAL 6 CO 0.03 0.51 0.14 0.20 -0.31 0.00 0.00 175.10 175.67 1m94 s ASN 7 N 0.88 5.55 0.39 4.85 0.02 -0.44 -2.22 114.94 123.97 1m94 s ASN 7 Ca -0.04 -0.36 -0.21 0.00 -1.02 0.00 0.00 52.86 51.23 1m94 s ASN 7 Cb -0.15 -2.01 -0.10 0.00 0.02 0.00 0.00 41.25 39.01 1m94 s ASN 7 CO -0.01 -0.14 0.91 -0.62 0.02 0.00 0.00 177.10 177.27 1m94 s ASP 8 N 1.64 6.99 0.18 -1.22 2.15 0.29 -1.28 116.67 125.43 1m94 s ASP 8 Ca 0.05 1.65 -0.12 0.00 0.43 0.00 0.00 52.55 54.57 1m94 s ASP 8 Cb -0.16 -2.52 0.09 0.00 -0.30 0.00 0.00 42.92 40.02 1m94 s ASP 8 CO 0.07 -0.28 1.77 -0.09 -0.17 0.00 0.00 175.17 176.46 1m94 h ARG 9 N 2.21 0.87 -0.49 4.34 2.43 -1.84 -2.81 114.38 119.09 1m94 h ARG 9 Ca -0.48 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 58.54 1m94 h ARG 9 Cb 1.18 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1m94 h ARG 9 CO 0.62 0.70 0.22 -0.07 -1.51 0.00 0.00 179.97 179.93 1m94 h LEU 10 N 0.83 0.65 0.00 3.80 4.07 -1.93 -3.46 115.31 119.27 1m94 h LEU 10 Ca 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1m94 h LEU 10 Cb 0.11 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1m94 h LEU 10 CO -0.03 0.62 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 1m94 n GLY 11 N -0.86 -0.06 2.86 0.83 0.00 -1.06 -5.16 105.19 101.75 1m94 n GLY 11 Ca 0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.12 -0.32 1.61 2.20 -1.25 -4.93 119.74 117.18 1m94 s LYS 12 Ca 0.00 0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1m94 s LYS 12 Cb 0.00 -0.51 0.01 0.00 -1.51 0.00 0.00 37.83 35.82 1m94 s LYS 12 CO 0.00 -0.42 0.13 0.15 -0.36 0.00 0.00 175.35 174.85 1m94 s LYS 13 N 2.35 3.08 0.11 4.03 3.01 -1.26 -0.54 119.74 130.52 1m94 s LYS 13 Ca 0.04 -0.88 0.10 0.00 -1.01 0.00 0.00 55.97 54.22 1m94 s LYS 13 Cb -0.13 -3.50 -0.04 0.00 -1.01 0.00 0.00 37.83 33.15 1m94 s LYS 13 CO -0.09 -0.50 -0.23 0.08 0.51 0.00 0.00 175.35 175.12 1m94 s VAL 14 N 1.54 2.49 -0.18 3.17 1.01 -0.94 -4.97 120.40 122.52 1m94 s VAL 14 Ca 0.03 -1.59 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1m94 s VAL 14 Cb -0.18 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1m94 s VAL 14 CO 0.04 0.14 -0.01 -0.13 0.00 0.00 0.00 175.10 175.14 1m94 s ARG 15 N -1.97 3.69 -0.01 2.72 1.81 -1.26 -1.83 118.95 122.11 1m94 s ARG 15 Ca 0.15 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1m94 s ARG 15 Cb -0.10 -3.03 0.01 0.00 -0.45 0.00 0.00 34.95 31.38 1m94 s ARG 15 CO 0.07 0.15 0.00 0.54 -0.68 0.00 0.00 175.30 175.38 1m94 s VAL 16 N 0.64 0.05 -0.08 3.52 0.11 -0.95 -5.02 120.40 118.68 1m94 s VAL 16 Ca -0.01 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1m94 s VAL 16 Cb -0.14 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1m94 s VAL 16 CO 0.02 0.06 -0.14 -1.59 -3.33 0.00 0.00 175.10 170.11 1m94 s LYS 17 N 0.41 2.79 0.14 1.54 -2.85 -1.26 -1.15 119.74 119.36 1m94 s LYS 17 Ca -0.04 -0.70 -0.14 0.00 -1.00 0.00 0.00 55.97 54.09 1m94 s LYS 17 Cb -0.05 -2.45 0.02 0.00 -2.06 0.00 0.00 37.83 33.29 1m94 s LYS 17 CO -0.01 0.48 0.37 0.00 0.10 0.00 0.00 175.35 176.28 1m94 s LEU 19 N -2.85 4.07 0.57 0.00 1.43 -1.26 -1.26 118.68 119.38 1m94 s LEU 19 Ca 0.06 1.57 0.34 0.00 -1.03 0.00 0.00 54.13 55.07 1m94 s LEU 19 Cb 0.02 -4.24 1.69 0.00 0.03 0.00 0.00 46.19 43.69 1m94 s LEU 19 CO -0.09 -0.23 2.13 0.00 0.23 0.00 0.00 176.35 178.39 1m94 h ALA 20 N 2.34 1.14 0.00 4.21 0.00 -1.95 -1.59 119.26 123.41 1m94 h ALA 20 Ca -0.48 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1m94 h ALA 20 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1m94 h ALA 20 CO 0.63 0.07 -0.28 1.05 0.00 0.00 0.00 179.25 180.73 1m94 h GLU 21 N 0.00 0.00 -7.10 0.00 -0.00 -1.94 0.86 114.58 106.40 1m94 h GLU 21 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.84 1m94 h GLU 21 Cb 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 28.75 29.15 1m94 h GLU 21 CO 0.01 0.28 0.46 -0.51 -0.00 0.00 0.00 179.01 179.25 1m94 s ASP 22 N -6.34 5.26 0.60 3.06 1.01 -0.60 -4.67 116.67 115.01 1m94 s ASP 22 Ca 0.05 2.35 -0.04 0.00 0.71 0.00 0.00 52.55 55.62 1m94 s ASP 22 Cb 0.07 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.43 1m94 s ASP 22 CO 0.71 -1.54 0.88 -0.44 0.21 0.00 0.00 175.17 174.99 1m94 s SER 23 N -1.65 5.26 0.50 0.27 0.01 -1.26 -1.50 113.70 115.33 1m94 s SER 23 Ca 0.76 0.38 0.14 0.00 1.31 0.00 0.00 55.95 58.55 1m94 s SER 23 Cb -0.29 -1.25 1.19 0.00 0.21 0.00 0.00 66.02 65.88 1m94 s SER 23 CO 0.32 -1.24 2.13 0.58 0.41 0.00 0.00 173.24 175.45 1m94 h VAL 24 N -0.20 1.02 -0.48 3.43 2.07 -1.64 -1.00 116.25 119.45 1m94 h VAL 24 Ca -0.44 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1m94 h VAL 24 Cb 1.29 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1m94 h VAL 24 CO 0.58 0.02 0.29 1.23 0.02 0.00 0.00 177.57 179.71 1m94 h GLY 25 N 0.11 0.68 1.43 2.17 0.00 -1.81 0.18 103.07 105.82 1m94 h GLY 25 Ca 0.03 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 46.99 1m94 h GLY 25 CO -0.01 0.18 -0.50 -1.80 0.00 0.00 0.00 176.54 174.42 1m94 h ASP 26 N 0.58 0.66 -0.21 0.19 1.82 -1.64 -2.00 116.42 115.82 1m94 h ASP 26 Ca 0.19 -0.34 -0.04 0.00 -0.39 0.00 0.00 57.03 56.46 1m94 h ASP 26 Cb 0.02 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 1m94 h ASP 26 CO -0.09 1.05 0.02 0.15 -1.61 0.00 0.00 179.24 178.76 1m94 h PHE 27 N 0.48 0.47 0.16 0.28 3.57 -0.45 -2.11 116.94 119.33 1m94 h PHE 27 Ca 0.02 -0.04 -0.31 0.00 3.53 0.00 0.00 57.97 61.18 1m94 h PHE 27 Cb 1.04 -0.14 0.03 0.00 2.79 0.00 0.00 35.95 39.67 1m94 h PHE 27 CO 0.05 0.46 -1.32 0.87 -2.23 0.00 0.00 178.31 176.13 1m94 h LYS 28 N 0.45 0.55 0.00 1.11 1.57 -0.49 -2.61 116.57 117.16 1m94 h LYS 28 Ca 0.10 -0.82 -0.04 0.00 -1.87 0.00 0.00 60.65 58.02 1m94 h LYS 28 Cb 0.26 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1m94 h LYS 28 CO 0.00 1.38 -0.21 1.57 -0.57 0.00 0.00 179.45 181.62 1m94 h LYS 29 N 0.21 0.00 0.22 3.15 2.10 -1.14 0.84 116.57 121.95 1m94 h LYS 29 Ca -0.20 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.12 1m94 h LYS 29 Cb 2.00 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 33.37 1m94 h LYS 29 CO 0.25 0.21 -1.41 0.28 -2.00 0.00 0.00 179.45 176.77 1m94 h VAL 30 N 0.00 1.28 -0.37 0.07 2.07 -1.41 -3.31 116.25 114.59 1m94 h VAL 30 Ca -0.00 -2.64 -0.10 0.00 0.82 0.00 0.00 66.70 64.78 1m94 h VAL 30 Cb 0.42 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1m94 h VAL 30 CO 0.03 0.79 -0.16 -0.07 0.02 0.00 0.00 177.57 178.18 1m94 h LEU 31 N 0.19 0.78 -1.98 2.57 3.38 -1.06 -2.93 115.31 116.26 1m94 h LEU 31 Ca -0.24 -0.40 0.12 0.00 0.09 0.00 0.00 57.88 57.46 1m94 h LEU 31 Cb 2.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1m94 h LEU 31 CO 0.27 1.00 0.44 0.77 0.09 0.00 0.00 178.44 181.01 1m94 h SER 32 N 0.55 0.00 0.11 -0.43 4.64 -0.94 0.65 113.55 118.13 1m94 h SER 32 Ca 0.09 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 1m94 h SER 32 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1m94 h SER 32 CO 0.05 0.00 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.35 1m94 h LEU 33 N 0.00 0.55 0.00 5.97 -0.00 -1.60 0.26 115.31 120.50 1m94 h LEU 33 Ca 0.20 -0.31 -0.04 0.00 -0.00 0.00 0.00 57.88 57.73 1m94 h LEU 33 Cb 1.08 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1m94 h LEU 33 CO -0.00 1.01 -0.26 1.56 -0.00 0.00 0.00 178.44 180.75 1m94 h GLN 34 N 0.37 0.00 0.00 1.13 7.50 -1.02 -3.35 115.11 119.73 1m94 h GLN 34 Ca -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1m94 h GLN 34 Cb 1.13 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.66 1m94 h GLN 34 CO 0.11 0.75 -0.01 -0.84 -1.50 0.00 0.00 178.83 177.33 1m94 h ILE 35 N -1.00 0.02 -4.89 2.54 3.07 -1.42 -3.47 117.51 112.36 1m94 h ILE 35 Ca -0.06 -0.85 -0.28 0.00 1.55 0.00 0.00 64.86 65.21 1m94 h ILE 35 Cb 0.83 1.83 0.13 0.00 -0.27 0.00 0.00 36.82 39.35 1m94 h ILE 35 CO -0.04 0.01 -0.59 0.61 -1.05 0.00 0.00 178.15 177.09 1m94 n GLY 36 N 0.72 -0.21 0.00 0.16 0.00 0.92 -4.93 105.19 101.85 1m94 n GLY 36 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.77 0.00 -0.74 2.61 -1.04 -1.18 -5.05 114.28 105.11 1m94 n THR 37 Ca -0.16 -0.28 0.01 0.00 -2.04 0.00 0.00 64.05 61.58 1m94 n THR 37 Cb 0.61 0.75 -0.00 0.00 -1.82 0.00 0.00 70.33 69.87 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 -1.33 -1.92 -1.19 -2.82 1.13 -1.26 -4.14 117.38 105.85 1m94 n GLN 38 Ca 0.00 1.50 -0.35 0.00 -1.94 0.00 0.00 57.00 56.21 1m94 n GLN 38 Cb 0.09 -1.89 -0.02 0.00 0.11 0.00 0.00 30.24 28.52 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 -2.12 2.73 0.00 -1.09 -0.04 -1.26 -3.51 135.00 129.70 1m94 n PRO 39 Ca -0.00 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1m94 n PRO 39 Cb 0.24 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1m94 n PRO 39 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1m94 n ASN 40 N 4.82 0.00 -1.48 3.54 3.02 -1.26 -4.90 115.26 119.01 1m94 n ASN 40 Ca 0.59 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 55.23 1m94 n ASN 40 Cb 0.26 0.18 0.34 0.00 -0.61 0.00 0.00 39.78 39.94 1m94 n ASN 40 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1m94 n LYS 41 N -2.08 3.75 -3.68 3.52 5.02 -1.23 -4.88 118.16 118.58 1m94 n LYS 41 Ca 0.00 -2.86 -0.35 0.00 -2.02 0.00 0.00 58.31 53.07 1m94 n LYS 41 Cb 0.00 -1.89 -0.08 0.00 -0.02 0.00 0.00 35.03 33.04 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m94 s ILE 42 N -2.02 5.38 -0.29 -0.18 1.01 -1.25 -1.08 121.20 122.77 1m94 s ILE 42 Ca 0.49 0.29 0.01 0.00 0.00 0.00 0.00 60.65 61.44 1m94 s ILE 42 Cb 0.33 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 39.37 1m94 s ILE 42 CO 0.21 0.43 0.02 -0.69 0.00 0.00 0.00 174.94 174.91 1m94 s VAL 43 N 0.34 1.62 -0.11 2.92 1.01 0.16 -4.88 120.40 121.46 1m94 s VAL 43 Ca 0.11 -1.64 -0.08 0.00 0.00 0.00 0.00 61.98 60.36 1m94 s VAL 43 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1m94 s VAL 43 CO -0.00 -0.40 0.17 -0.76 0.00 0.00 0.00 175.10 174.11 1m94 s LEU 44 N 1.29 4.38 -0.06 3.92 1.43 -1.26 -0.48 118.68 127.89 1m94 s LEU 44 Ca 0.03 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1m94 s LEU 44 Cb -0.19 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1m94 s LEU 44 CO -0.12 0.38 -0.09 -1.10 0.23 0.00 0.00 176.35 175.65 1m94 s GLN 45 N -0.90 1.39 -0.59 1.70 -0.21 -0.83 -0.99 119.66 119.23 1m94 s GLN 45 Ca 0.16 -0.29 -0.18 0.00 0.02 0.00 0.00 55.36 55.07 1m94 s GLN 45 Cb -0.13 -1.24 0.12 0.00 1.00 0.00 0.00 33.01 32.76 1m94 s GLN 45 CO 0.05 -0.04 0.65 0.21 -2.12 0.00 0.00 175.29 174.04 1m94 s LYS 46 N 0.86 3.06 1.37 2.91 2.20 -0.21 -0.84 119.74 129.08 1m94 s LYS 46 Ca -0.11 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.01 1m94 s LYS 46 Cb -0.15 -4.30 0.00 0.00 -1.51 0.00 0.00 37.83 31.88 1m94 s LYS 46 CO 0.01 -1.47 0.00 0.41 -0.36 0.00 0.00 175.35 173.94 1m94 n GLY 47 N 5.23 1.38 2.71 5.54 0.00 -1.26 -2.95 105.19 115.84 1m94 n GLY 47 Ca -0.10 0.32 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.82 3.32 -0.02 0.00 -1.26 -5.02 105.19 104.02 1m94 n GLY 48 Ca 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.40 -0.45 0.03 1.61 1.04 -1.15 -5.14 113.70 106.24 1m94 s SER 49 Ca 0.28 0.86 -0.29 0.00 0.48 0.00 0.00 55.95 57.28 1m94 s SER 49 Cb 0.40 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 1m94 s SER 49 CO 0.00 -0.15 0.95 -0.69 0.98 0.00 0.00 173.24 174.33 1m94 s VAL 50 N 0.34 4.75 -0.23 5.02 1.01 -1.26 -1.05 120.40 128.98 1m94 s VAL 50 Ca -0.01 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 1m94 s VAL 50 Cb -0.03 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1m94 s VAL 50 CO -0.01 0.22 0.73 -0.76 0.00 0.00 0.00 175.10 175.29 1m94 s LEU 51 N 0.63 4.09 -0.04 3.92 1.43 -0.16 -4.91 118.68 123.63 1m94 s LEU 51 Ca 0.49 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1m94 s LEU 51 Cb -0.22 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1m94 s LEU 51 CO 0.28 -0.42 0.07 -0.54 0.23 0.00 0.00 176.35 175.97 1m94 s LYS 52 N 2.53 3.11 0.59 1.70 -0.14 -1.26 -4.66 119.74 121.61 1m94 s LYS 52 Ca 0.31 -0.40 0.34 0.00 -1.36 0.00 0.00 55.97 54.86 1m94 s LYS 52 Cb -0.16 -2.90 1.84 0.00 -1.68 0.00 0.00 37.83 34.93 1m94 s LYS 52 CO 0.09 0.68 2.20 -0.44 -0.76 0.00 0.00 175.35 177.12 1m94 h ASP 53 N 4.49 0.00 0.85 2.83 3.32 -1.96 -1.53 116.42 124.42 1m94 h ASP 53 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1m94 h ASP 53 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1m94 h ASP 53 CO 0.60 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 179.57 1m94 n HIS 54 N -3.47 0.37 -4.53 4.55 8.25 -1.26 -3.83 115.22 115.29 1m94 n HIS 54 Ca -0.02 0.13 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 1m94 n HIS 54 Cb 0.15 -0.71 -0.11 0.00 1.12 0.00 0.00 29.99 30.45 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 -3.10 3.43 0.50 1.59 1.09 -0.58 -5.03 121.20 119.11 1m94 s ILE 55 Ca 0.09 -0.85 -0.18 0.00 -1.10 0.00 0.00 60.65 58.61 1m94 s ILE 55 Cb 0.12 -2.47 -0.08 0.00 -1.06 0.00 0.00 42.46 38.97 1m94 s ILE 55 CO 0.42 0.40 0.98 -0.55 -0.10 0.00 0.00 174.94 176.10 1m94 s SER 56 N -1.36 6.63 0.42 3.58 0.15 -1.26 -2.37 113.70 119.49 1m94 s SER 56 Ca 0.16 1.62 0.08 0.00 0.70 0.00 0.00 55.95 58.51 1m94 s SER 56 Cb -0.11 -2.52 0.90 0.00 -1.71 0.00 0.00 66.02 62.58 1m94 s SER 56 CO 0.06 -0.58 2.07 -0.07 1.20 0.00 0.00 173.24 175.92 1m94 h LEU 57 N 1.12 0.41 -1.22 3.45 3.38 -1.38 -1.68 115.31 119.39 1m94 h LEU 57 Ca -0.47 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1m94 h LEU 57 Cb 1.19 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1m94 h LEU 57 CO 0.61 0.31 0.53 -0.08 0.09 0.00 0.00 178.44 179.89 1m94 h GLU 58 N 0.49 1.03 -0.53 1.13 4.22 -1.04 -1.21 114.58 118.66 1m94 h GLU 58 Ca 0.13 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.48 1m94 h GLU 58 Cb -0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1m94 h GLU 58 CO -0.03 0.68 0.20 -0.44 -2.18 0.00 0.00 179.01 177.25 1m94 h ASP 59 N 1.06 0.74 1.01 1.04 3.32 -1.60 -1.98 116.42 120.01 1m94 h ASP 59 Ca 0.30 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1m94 h ASP 59 Cb -0.08 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1m94 h ASP 59 CO -0.07 0.72 0.00 1.88 -1.72 0.00 0.00 179.24 180.05 1m94 h TYR 60 N 0.72 0.00 -3.97 4.55 0.05 -1.33 -3.47 116.97 113.52 1m94 h TYR 60 Ca 0.18 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.90 1m94 h TYR 60 Cb 0.21 0.00 0.04 0.00 1.01 0.00 0.00 36.73 37.99 1m94 h TYR 60 CO 0.01 0.00 -0.18 -1.91 -1.05 0.00 0.00 178.16 175.03 1m94 n GLU 61 N -2.84 -0.73 -3.19 4.88 4.07 -0.52 -5.00 120.64 117.30 1m94 n GLU 61 Ca 0.01 0.62 -0.39 0.00 -0.06 0.00 0.00 57.16 57.34 1m94 n GLU 61 Cb 0.30 -3.24 -0.06 0.00 -0.06 0.00 0.00 31.44 28.38 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 -3.08 5.07 0.28 6.31 1.01 -1.19 -5.06 120.40 123.75 1m94 s VAL 62 Ca 0.10 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1m94 s VAL 62 Cb -0.01 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1m94 s VAL 62 CO 0.30 0.16 0.39 -2.28 0.00 0.00 0.00 175.10 173.67 1m94 s HIS 63 N 1.71 3.28 0.43 5.22 2.46 -1.26 -4.92 115.29 122.20 1m94 s HIS 63 Ca 0.26 -0.11 -0.24 0.00 0.47 0.00 0.00 55.06 55.44 1m94 s HIS 63 Cb -0.16 -1.73 -0.08 0.00 -0.13 0.00 0.00 32.58 30.48 1m94 s HIS 63 CO 0.10 0.26 1.16 0.16 -2.47 0.00 0.00 174.74 173.95 1m94 s ASP 64 N -4.05 6.38 -1.55 9.88 -4.77 -1.26 -2.96 116.67 118.34 1m94 s ASP 64 Ca 0.38 2.32 -0.05 0.00 -3.30 0.00 0.00 52.55 51.90 1m94 s ASP 64 Cb -0.09 -2.61 0.01 0.00 -1.09 0.00 0.00 42.92 39.14 1m94 s ASP 64 CO 0.29 -0.77 0.61 0.00 0.70 0.00 0.00 175.17 176.00 1m94 n GLN 65 N -0.18 -4.86 -3.12 2.11 1.13 0.12 -4.92 117.38 107.66 1m94 n GLN 65 Ca 0.06 0.89 -0.23 0.00 -1.94 0.00 0.00 57.00 55.78 1m94 n GLN 65 Cb 0.47 -5.75 0.00 0.00 0.11 0.00 0.00 30.24 25.07 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1m94 s THR 66 N -3.17 4.24 -0.18 5.09 -1.32 -1.15 -4.94 115.64 114.20 1m94 s THR 66 Ca 0.31 -0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 60.14 1m94 s THR 66 Cb -0.14 -3.55 -0.05 0.00 -1.51 0.00 0.00 72.50 67.25 1m94 s THR 66 CO 0.38 -0.36 0.19 0.20 -2.21 0.00 0.00 174.62 172.82 1m94 s ASN 67 N -4.17 6.30 0.22 8.08 -0.87 -1.26 -2.43 114.94 120.80 1m94 s ASN 67 Ca 0.46 0.34 0.09 0.00 -1.57 0.00 0.00 52.86 52.18 1m94 s ASN 67 Cb -0.10 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.25 38.96 1m94 s ASN 67 CO 0.37 0.16 -0.17 -0.76 -2.57 0.00 0.00 177.10 174.13 1m94 s LEU 68 N 0.34 2.54 0.13 0.60 1.43 0.75 -4.43 118.68 120.03 1m94 s LEU 68 Ca 0.11 -0.99 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1m94 s LEU 68 Cb -0.12 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1m94 s LEU 68 CO 0.00 -0.07 0.12 -1.61 0.23 0.00 0.00 176.35 175.02 1m94 s GLU 69 N -3.40 2.91 -0.03 1.70 8.01 -0.02 -1.33 118.70 126.54 1m94 s GLU 69 Ca 0.23 -0.78 0.01 0.00 0.01 0.00 0.00 54.97 54.45 1m94 s GLU 69 Cb -0.03 -2.69 0.01 0.00 -4.31 0.00 0.00 34.13 27.11 1m94 s GLU 69 CO 0.09 0.52 -0.05 -1.17 0.01 0.00 0.00 175.26 174.66 1m94 s LEU 70 N -2.80 1.58 0.03 1.80 2.96 -0.40 -1.95 118.68 119.90 1m94 s LEU 70 Ca 0.30 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1m94 s LEU 70 Cb -0.11 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 1m94 s LEU 70 CO 0.23 -0.00 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.89 1m94 s TYR 71 N 0.51 0.52 -0.40 5.38 2.02 0.37 -2.59 117.35 123.16 1m94 s TYR 71 Ca -0.07 -0.43 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 1m94 s TYR 71 Cb -0.10 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.15 1m94 s TYR 71 CO 0.00 -0.09 0.28 0.71 -1.57 0.00 0.00 175.55 174.88 1m94 s TYR 72 N -1.17 3.24 0.00 2.71 2.02 -1.26 -0.66 117.35 122.23 1m94 s TYR 72 Ca -0.09 -0.59 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1m94 s TYR 72 Cb -0.08 -2.56 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 1m94 s TYR 72 CO 0.00 -0.57 0.00 -0.11 -1.57 0.00 0.00 175.55 173.30