#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aar s GLN 2 N 0.00 4.20 0.22 3.17 0.74 -1.26 -0.41 119.66 126.32 1aar s GLN 2 Ca 0.00 0.05 0.05 0.00 0.05 0.00 0.00 55.36 55.52 1aar s GLN 2 Cb 0.00 -3.48 -0.05 0.00 1.10 0.00 0.00 33.01 30.58 1aar s GLN 2 CO 0.00 0.13 -0.06 0.96 -0.55 0.00 0.00 175.29 175.76 1aar s ILE 3 N 0.82 1.37 0.09 -2.34 -4.36 -0.44 0.46 121.20 116.79 1aar s ILE 3 Ca 0.15 -2.10 0.10 0.00 -0.26 0.00 0.00 60.65 58.54 1aar s ILE 3 Cb -0.13 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1aar s ILE 3 CO 0.05 -0.45 -0.24 -0.36 0.24 0.00 0.00 174.94 174.18 1aar s PHE 4 N -3.20 2.39 -0.24 1.37 0.08 -0.34 -1.42 117.98 116.61 1aar s PHE 4 Ca 0.25 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.97 1aar s PHE 4 Cb 0.03 -1.34 0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1aar s PHE 4 CO 0.08 0.26 -0.10 0.08 -0.10 0.00 0.00 175.22 175.45 1aar s VAL 5 N -0.97 1.89 -0.14 -0.44 1.01 0.17 -0.22 120.40 121.69 1aar s VAL 5 Ca 0.14 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1aar s VAL 5 Cb -0.10 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1aar s VAL 5 CO 0.05 0.00 0.12 -0.54 0.00 0.00 0.00 175.10 174.73 1aar s LYS 6 N 1.24 3.63 0.58 2.72 -0.14 0.15 0.06 119.74 127.99 1aar s LYS 6 Ca -0.06 -0.20 -0.06 0.00 -1.36 0.00 0.00 55.97 54.28 1aar s LYS 6 Cb -0.19 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 1aar s LYS 6 CO -0.06 0.60 0.90 0.95 -0.76 0.00 0.00 175.35 176.98 1aar s THR 7 N -0.53 3.79 -1.97 2.17 -4.23 0.65 -1.36 115.64 114.16 1aar s THR 7 Ca 0.12 0.05 0.31 0.00 -1.18 0.00 0.00 61.69 60.99 1aar s THR 7 Cb -0.12 -3.50 0.87 0.00 1.34 0.00 0.00 72.50 71.09 1aar s THR 7 CO 0.02 -0.52 2.18 0.18 -0.54 0.00 0.00 174.62 175.94 1aar n LEU 8 N -2.57 0.00 -1.19 4.79 4.77 -1.23 -3.60 117.00 117.98 1aar n LEU 8 Ca 0.04 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 1aar n LEU 8 Cb 0.57 -0.02 0.17 0.00 -2.33 0.00 0.00 43.42 41.82 1aar n LEU 8 CO 0.53 -0.00 0.54 0.35 -1.33 0.00 0.00 177.39 177.48 1aar n THR 9 N -1.02 2.50 -1.66 -5.08 -2.24 -1.26 -5.00 114.28 100.53 1aar n THR 9 Ca 0.23 -3.16 -0.04 0.00 -2.27 0.00 0.00 64.05 58.80 1aar n THR 9 Cb 0.11 -0.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.87 1aar n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aar n GLY 10 N -1.05 0.42 3.19 3.38 0.00 -1.24 -5.07 105.19 104.83 1aar n GLY 10 Ca 0.32 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1aar n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aar s LYS 11 N -3.39 3.04 -0.22 1.61 2.20 -1.26 -4.96 119.74 116.75 1aar s LYS 11 Ca 0.00 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.66 1aar s LYS 11 Cb 0.00 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.86 1aar s LYS 11 CO 0.00 0.04 0.12 0.99 -0.36 0.00 0.00 175.35 176.14 1aar s THR 12 N 0.70 5.05 -0.23 3.43 2.01 -1.26 -0.26 115.64 125.08 1aar s THR 12 Ca -0.10 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1aar s THR 12 Cb -0.16 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1aar s THR 12 CO 0.01 0.38 0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 1aar s ILE 13 N 0.93 4.58 -0.18 1.82 1.01 0.11 -4.93 121.20 124.54 1aar s ILE 13 Ca 0.06 -0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 1aar s ILE 13 Cb -0.13 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1aar s ILE 13 CO 0.03 0.37 0.31 -0.89 0.00 0.00 0.00 174.94 174.76 1aar s THR 14 N 1.22 5.28 0.12 2.92 2.01 -1.26 0.43 115.64 126.36 1aar s THR 14 Ca 0.05 0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.66 1aar s THR 14 Cb -0.14 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1aar s THR 14 CO 0.04 0.35 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.43 1aar s LEU 15 N 0.74 2.43 -0.25 4.42 1.43 -0.51 -5.00 118.68 121.95 1aar s LEU 15 Ca 0.16 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1aar s LEU 15 Cb -0.13 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.65 1aar s LEU 15 CO 0.05 -0.20 -0.06 -1.61 0.23 0.00 0.00 176.35 174.75 1aar s GLU 16 N -2.88 2.79 0.29 1.70 0.41 -1.26 -1.33 118.70 118.42 1aar s GLU 16 Ca 0.10 -1.00 0.02 0.00 -0.41 0.00 0.00 54.97 53.67 1aar s GLU 16 Cb -0.03 -2.98 -0.05 0.00 -1.78 0.00 0.00 34.13 29.29 1aar s GLU 16 CO 0.02 -0.41 0.10 0.14 -0.49 0.00 0.00 175.26 174.61 1aar s VAL 17 N 1.31 0.69 -0.11 2.63 -7.23 0.45 -4.87 120.40 113.27 1aar s VAL 17 Ca -0.00 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1aar s VAL 17 Cb -0.17 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1aar s VAL 17 CO -0.05 0.00 0.09 -1.61 -0.31 0.00 0.00 175.10 173.23 1aar s GLU 18 N -3.95 3.31 0.53 4.82 2.02 -1.26 0.02 118.70 124.18 1aar s GLU 18 Ca 0.36 -0.22 0.22 0.00 0.02 0.00 0.00 54.97 55.35 1aar s GLU 18 Cb 0.07 -3.06 1.18 0.00 0.10 0.00 0.00 34.13 32.42 1aar s GLU 18 CO 0.15 0.74 1.62 -1.00 0.02 0.00 0.00 175.26 176.79 1aar h PRO 19 N 5.08 0.00 -0.18 0.39 0.13 -1.94 -0.18 132.00 135.30 1aar h PRO 19 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1aar h PRO 19 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1aar h PRO 19 CO 0.57 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.21 1aar n SER 20 N -2.53 2.90 -4.77 1.44 3.41 -1.26 -2.47 113.62 110.34 1aar n SER 20 Ca -0.01 -1.87 -0.40 0.00 -0.26 0.00 0.00 58.87 56.32 1aar n SER 20 Cb 0.39 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1aar n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1aar s ASP 21 N -1.48 6.29 0.81 4.04 1.01 -0.08 -4.72 116.67 122.53 1aar s ASP 21 Ca 0.28 2.85 -0.12 0.00 0.71 0.00 0.00 52.55 56.26 1aar s ASP 21 Cb 0.18 -2.65 0.08 0.00 1.01 0.00 0.00 42.92 41.53 1aar s ASP 21 CO 0.26 -0.88 1.14 0.42 0.21 0.00 0.00 175.17 176.31 1aar s THR 22 N -1.18 2.49 0.35 -1.27 -4.23 -1.26 -1.06 115.64 109.48 1aar s THR 22 Ca 0.55 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 61.35 1aar s THR 22 Cb -0.42 -3.07 0.08 0.00 1.34 0.00 0.00 72.50 70.43 1aar s THR 22 CO 0.56 -0.21 1.80 0.40 -0.54 0.00 0.00 174.62 176.62 1aar h ILE 23 N -1.06 1.26 0.00 2.99 1.08 -0.80 -2.63 117.51 118.35 1aar h ILE 23 Ca -0.47 -1.40 -0.09 0.00 -0.39 0.00 0.00 64.86 62.51 1aar h ILE 23 Cb 1.30 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 1aar h ILE 23 CO 0.64 0.40 -0.41 -0.08 -0.69 0.00 0.00 178.15 178.00 1aar h GLU 24 N 0.00 0.00 -0.07 2.37 4.57 -1.69 -2.41 114.58 117.35 1aar h GLU 24 Ca -0.00 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 1aar h GLU 24 Cb 0.73 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1aar h GLU 24 CO 0.05 0.41 -0.70 -0.97 -1.18 0.00 0.00 179.01 176.62 1aar h ASN 25 N 0.00 0.40 -0.48 1.04 -1.24 -1.76 -0.44 115.58 113.10 1aar h ASN 25 Ca -0.00 -0.25 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 1aar h ASN 25 Cb 0.91 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.83 1aar h ASN 25 CO 0.05 0.97 -0.24 0.58 -1.29 0.00 0.00 177.43 177.51 1aar h VAL 26 N 0.23 1.27 -0.78 2.57 2.07 -1.42 0.66 116.25 120.85 1aar h VAL 26 Ca -0.02 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1aar h VAL 26 Cb 1.26 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1aar h VAL 26 CO 0.12 0.49 0.30 0.11 0.02 0.00 0.00 177.57 178.60 1aar h LYS 27 N 0.86 1.18 -0.63 1.57 1.57 -1.15 0.14 116.57 120.11 1aar h LYS 27 Ca 0.10 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1aar h LYS 27 Cb 0.82 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1aar h LYS 27 CO 0.07 0.97 0.15 0.00 -0.57 0.00 0.00 179.45 180.07 1aar h ALA 28 N 1.16 1.09 -0.54 3.86 0.00 -0.52 -0.66 119.26 123.65 1aar h ALA 28 Ca 0.26 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1aar h ALA 28 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1aar h ALA 28 CO -0.02 0.61 -0.10 0.87 0.00 0.00 0.00 179.25 180.61 1aar h LYS 29 N 0.94 1.00 -0.57 0.00 1.57 -0.08 -1.49 116.57 117.95 1aar h LYS 29 Ca 0.20 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1aar h LYS 29 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1aar h LYS 29 CO -0.00 1.04 0.18 0.82 -0.57 0.00 0.00 179.45 180.92 1aar h ILE 30 N 0.89 1.24 -0.15 1.86 2.04 -0.40 -2.52 117.51 120.47 1aar h ILE 30 Ca 0.14 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1aar h ILE 30 Cb 0.65 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1aar h ILE 30 CO 0.05 0.30 0.06 -0.61 0.00 0.00 0.00 178.15 177.94 1aar h GLN 31 N 0.80 0.13 -0.91 2.37 4.15 -0.88 1.08 115.11 121.85 1aar h GLN 31 Ca 0.18 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.76 1aar h GLN 31 Cb 0.27 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.84 1aar h GLN 31 CO -0.01 0.09 0.50 -0.44 -1.93 0.00 0.00 178.83 177.04 1aar h ASP 32 N 0.13 0.62 0.08 -0.69 3.32 -0.97 0.76 116.42 119.67 1aar h ASP 32 Ca 0.06 0.09 -0.32 0.00 0.02 0.00 0.00 57.03 56.88 1aar h ASP 32 Cb 0.03 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1aar h ASP 32 CO -0.06 0.24 -1.78 1.17 -1.72 0.00 0.00 179.24 177.09 1aar n LYS 33 N -4.83 0.69 0.00 3.56 3.00 -0.98 -4.62 118.16 114.98 1aar n LYS 33 Ca 0.19 0.36 0.06 0.00 -0.00 0.00 0.00 58.31 58.93 1aar n LYS 33 Cb 0.48 -1.71 -0.06 0.00 0.00 0.00 0.00 35.03 33.74 1aar n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1aar n GLU 34 N -3.81 2.74 -1.00 1.64 -0.58 0.37 -5.00 120.64 115.00 1aar n GLU 34 Ca -0.33 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 1aar n GLU 34 Cb 0.92 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 1aar n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aar n GLY 35 N 1.26 0.43 3.64 0.62 0.00 0.26 -4.99 105.19 106.42 1aar n GLY 35 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1aar n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aar s ILE 36 N -1.88 4.69 0.22 -0.61 1.01 -1.26 -4.97 121.20 118.41 1aar s ILE 36 Ca 0.00 1.73 -0.32 0.00 0.00 0.00 0.00 60.65 62.07 1aar s ILE 36 Cb 0.00 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 38.06 1aar s ILE 36 CO 0.00 -0.24 1.28 -2.65 0.00 0.00 0.00 174.94 173.32 1aar n PRO 37 N 6.37 1.63 -0.02 2.79 -0.02 -1.26 -3.87 135.00 140.62 1aar n PRO 37 Ca 0.09 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.31 1aar n PRO 37 Cb 0.47 -2.15 0.59 0.00 -0.02 0.00 0.00 33.50 32.39 1aar n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1aar h PRO 38 N 3.67 0.20 0.00 0.52 0.11 -1.94 -0.32 132.00 134.24 1aar h PRO 38 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1aar h PRO 38 Cb 1.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1aar h PRO 38 CO 0.72 0.13 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.92 1aar h ASP 39 N 0.20 0.00 -0.14 -2.05 3.32 -1.97 -2.52 116.42 113.27 1aar h ASP 39 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1aar h ASP 39 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1aar h ASP 39 CO -0.04 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1aar n GLN 40 N -3.86 1.86 -4.08 3.56 6.02 -0.13 -4.82 117.38 115.93 1aar n GLN 40 Ca -0.02 -1.28 -0.36 0.00 -0.01 0.00 0.00 57.00 55.33 1aar n GLN 40 Cb 0.37 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 30.10 1aar n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1aar s GLN 41 N -1.84 3.41 -0.13 -1.09 -0.21 -0.95 -1.55 119.66 117.30 1aar s GLN 41 Ca 0.34 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.45 1aar s GLN 41 Cb 0.19 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 31.17 1aar s GLN 41 CO 0.29 0.63 -0.11 1.03 -2.12 0.00 0.00 175.29 175.02 1aar s ARG 42 N -0.65 1.94 -0.12 2.91 1.81 0.53 -4.89 118.95 120.48 1aar s ARG 42 Ca 0.12 -0.42 -0.05 0.00 -1.72 0.00 0.00 55.73 53.66 1aar s ARG 42 Cb -0.12 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 1aar s ARG 42 CO 0.02 -0.23 0.07 -0.51 -0.68 0.00 0.00 175.30 173.97 1aar s LEU 43 N 1.53 3.94 -0.03 2.53 2.01 -1.26 -1.08 118.68 126.32 1aar s LEU 43 Ca 0.04 0.26 0.04 0.00 0.01 0.00 0.00 54.13 54.47 1aar s LEU 43 Cb -0.13 -1.94 -0.00 0.00 0.01 0.00 0.00 46.19 44.13 1aar s LEU 43 CO -0.09 0.35 -0.14 -0.63 1.01 0.00 0.00 176.35 176.85 1aar s ILE 44 N -0.71 1.18 -0.07 -0.59 -1.09 -0.37 -0.27 121.20 119.28 1aar s ILE 44 Ca 0.12 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1aar s ILE 44 Cb -0.12 -1.02 0.02 0.00 -1.58 0.00 0.00 42.46 39.77 1aar s ILE 44 CO 0.03 0.35 -0.06 0.12 -1.23 0.00 0.00 174.94 174.14 1aar s PHE 45 N 0.03 1.04 -1.52 3.97 5.36 -0.47 -0.32 117.98 126.07 1aar s PHE 45 Ca -0.02 -0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 55.45 1aar s PHE 45 Cb -0.10 -0.90 0.08 0.00 -0.34 0.00 0.00 43.02 41.76 1aar s PHE 45 CO 0.01 -0.30 0.84 0.00 -1.46 0.00 0.00 175.22 174.31 1aar n ALA 46 N 4.39 -1.47 -0.98 11.12 0.00 -1.26 -1.77 120.51 130.54 1aar n ALA 46 Ca -0.18 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1aar n ALA 46 Cb 0.51 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.38 1aar n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aar n GLY 47 N -1.65 0.89 3.29 0.00 0.00 -1.26 -5.02 105.19 101.44 1aar n GLY 47 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 1aar n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aar s LYS 48 N -0.02 1.43 0.24 1.61 2.36 -0.73 -5.12 119.74 119.51 1aar s LYS 48 Ca 0.00 -1.06 -0.30 0.00 -2.55 0.00 0.00 55.97 52.06 1aar s LYS 48 Cb 0.00 -1.63 -0.09 0.00 -1.05 0.00 0.00 37.83 35.06 1aar s LYS 48 CO 0.00 0.41 1.04 -1.14 1.55 0.00 0.00 175.35 177.21 1aar s GLN 49 N -1.43 4.70 0.06 4.03 0.74 -1.26 -1.37 119.66 125.13 1aar s GLN 49 Ca 0.09 1.68 -0.12 0.00 0.05 0.00 0.00 55.36 57.05 1aar s GLN 49 Cb -0.09 -3.24 -0.06 0.00 1.10 0.00 0.00 33.01 30.71 1aar s GLN 49 CO 0.03 0.28 0.43 -0.51 -0.55 0.00 0.00 175.29 174.96 1aar s LEU 50 N -1.08 4.40 -0.13 3.68 1.02 0.62 -4.97 118.68 122.22 1aar s LEU 50 Ca 0.45 0.90 -0.18 0.00 0.02 0.00 0.00 54.13 55.31 1aar s LEU 50 Cb -0.29 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.00 1aar s LEU 50 CO 0.37 0.22 0.48 -1.61 0.02 0.00 0.00 176.35 175.83 1aar s GLU 51 N -1.60 4.32 0.44 1.70 8.01 -1.26 -4.74 118.70 125.56 1aar s GLU 51 Ca 0.30 0.45 0.28 0.00 0.01 0.00 0.00 54.97 56.01 1aar s GLU 51 Cb -0.15 -3.46 1.34 0.00 -4.31 0.00 0.00 34.13 27.56 1aar s GLU 51 CO 0.16 0.11 1.70 -0.44 0.01 0.00 0.00 175.26 176.80 1aar h ASP 52 N 6.84 0.27 -0.04 -0.19 3.32 -1.98 -1.98 116.42 122.65 1aar h ASP 52 Ca -0.40 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1aar h ASP 52 Cb 1.17 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1aar h ASP 52 CO 0.75 -0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 1aar n GLY 53 N -1.56 0.34 3.97 2.75 0.00 -1.26 -2.04 105.19 107.40 1aar n GLY 53 Ca 0.32 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 1aar n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aar s ARG 54 N -1.97 3.32 0.43 1.61 0.52 -0.75 -4.88 118.95 117.23 1aar s ARG 54 Ca 0.35 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.73 1aar s ARG 54 Cb 0.21 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1aar s ARG 54 CO 0.32 0.30 0.63 0.95 0.02 0.00 0.00 175.30 177.52 1aar s THR 55 N -2.05 3.81 0.20 0.02 -4.23 -1.26 -0.70 115.64 111.43 1aar s THR 55 Ca 0.38 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 60.12 1aar s THR 55 Cb -0.09 -3.38 0.11 0.00 1.34 0.00 0.00 72.50 70.48 1aar s THR 55 CO 0.30 -0.24 1.81 -0.07 -0.54 0.00 0.00 174.62 175.88 1aar h LEU 56 N 0.49 0.51 -1.61 4.79 3.38 -1.25 -2.47 115.31 119.14 1aar h LEU 56 Ca -0.45 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 1aar h LEU 56 Cb 1.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1aar h LEU 56 CO 0.55 0.34 -0.05 0.77 0.09 0.00 0.00 178.44 180.14 1aar h SER 57 N 0.64 0.17 0.14 -0.43 4.64 -1.70 -1.19 113.55 115.82 1aar h SER 57 Ca 0.26 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 1aar h SER 57 Cb 0.12 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1aar h SER 57 CO -0.15 0.25 -0.09 0.44 -0.87 0.00 0.00 176.83 176.41 1aar h ASP 58 N 0.18 0.00 -0.42 4.97 3.32 -1.76 -1.79 116.42 120.92 1aar h ASP 58 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1aar h ASP 58 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1aar h ASP 58 CO 0.01 0.09 0.00 -1.22 -1.72 0.00 0.00 179.24 176.40 1aar n TYR 59 N -4.11 0.54 -3.55 4.55 4.01 -0.51 -4.94 117.16 113.15 1aar n TYR 59 Ca -0.03 -0.27 -0.23 0.00 -0.16 0.00 0.00 57.90 57.21 1aar n TYR 59 Cb 0.18 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.28 1aar n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1aar n ASN 60 N 1.52 -6.17 -4.55 7.72 5.15 -0.67 -4.96 115.26 113.29 1aar n ASN 60 Ca 0.20 -0.52 -0.43 0.00 -0.60 0.00 0.00 54.58 53.23 1aar n ASN 60 Cb 0.61 -4.84 -0.05 0.00 -0.53 0.00 0.00 39.78 34.98 1aar n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aar s ILE 61 N -3.31 4.61 0.57 -1.44 1.01 -0.81 -5.01 121.20 116.83 1aar s ILE 61 Ca 0.56 0.56 0.08 0.00 0.00 0.00 0.00 60.65 61.84 1aar s ILE 61 Cb -0.25 -4.34 0.07 0.00 0.01 0.00 0.00 42.46 37.95 1aar s ILE 61 CO 0.70 -0.72 0.61 -1.10 0.00 0.00 0.00 174.94 174.43 1aar s GLN 62 N 3.39 2.26 0.35 2.79 -0.21 -1.26 -4.46 119.66 122.51 1aar s GLN 62 Ca 0.32 -1.86 -0.26 0.00 0.02 0.00 0.00 55.36 53.58 1aar s GLN 62 Cb -0.12 -2.37 -0.13 0.00 1.00 0.00 0.00 33.01 31.40 1aar s GLN 62 CO 0.23 -0.78 0.94 0.36 -2.12 0.00 0.00 175.29 173.92 1aar n LYS 63 N -2.04 1.22 -1.56 2.91 2.85 -1.26 -1.84 118.16 118.44 1aar n LYS 63 Ca 0.07 0.43 -0.15 0.00 -1.05 0.00 0.00 58.31 57.61 1aar n LYS 63 Cb 0.63 -1.85 -0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1aar n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1aar n GLU 64 N 0.52 -1.08 -1.82 -1.58 4.71 0.17 -5.00 120.64 116.56 1aar n GLU 64 Ca 0.10 0.99 -0.31 0.00 -0.01 0.00 0.00 57.16 57.94 1aar n GLU 64 Cb 0.35 -5.16 0.04 0.00 -1.01 0.00 0.00 31.44 25.65 1aar n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1aar s SER 65 N -2.77 5.66 -0.09 1.62 0.01 -0.77 -4.83 113.70 112.53 1aar s SER 65 Ca 0.00 1.30 0.04 0.00 1.31 0.00 0.00 55.95 58.60 1aar s SER 65 Cb 0.00 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 1aar s SER 65 CO 0.00 -1.22 -0.21 -0.89 0.41 0.00 0.00 173.24 171.33 1aar s THR 66 N -3.25 2.38 0.33 1.44 2.01 -1.26 -1.20 115.64 116.08 1aar s THR 66 Ca 0.57 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1aar s THR 66 Cb -0.12 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1aar s THR 66 CO 0.53 0.56 0.04 -0.76 -0.69 0.00 0.00 174.62 174.29 1aar s LEU 67 N 0.13 3.07 0.18 4.42 1.43 0.69 -4.71 118.68 123.90 1aar s LEU 67 Ca -0.11 -0.88 0.09 0.00 -1.03 0.00 0.00 54.13 52.20 1aar s LEU 67 Cb -0.16 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1aar s LEU 67 CO 0.06 -0.21 -0.19 -1.00 0.23 0.00 0.00 176.35 175.24 1aar s HIS 68 N -2.47 1.92 -0.07 0.29 3.76 0.56 -0.67 115.29 118.62 1aar s HIS 68 Ca 0.35 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.83 1aar s HIS 68 Cb -0.02 -0.95 0.01 0.00 1.11 0.00 0.00 32.58 32.74 1aar s HIS 68 CO 0.20 0.38 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.18 1aar s LEU 69 N -2.74 1.64 0.11 0.89 2.96 -0.46 -1.23 118.68 119.84 1aar s LEU 69 Ca 0.18 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 1aar s LEU 69 Cb -0.06 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 1aar s LEU 69 CO 0.08 0.03 -0.19 0.68 -1.32 0.00 0.00 176.35 175.63 1aar s VAL 70 N 0.70 1.60 -0.11 1.68 -7.23 -0.24 -3.52 120.40 113.29 1aar s VAL 70 Ca -0.14 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 58.40 1aar s VAL 70 Cb -0.16 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1aar s VAL 70 CO 0.03 -0.15 0.14 -0.76 -0.31 0.00 0.00 175.10 174.05 1aar s LEU 71 N -2.03 4.38 -0.58 1.32 1.43 -1.26 -0.35 118.68 121.59 1aar s LEU 71 Ca 0.06 0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1aar s LEU 71 Cb -0.09 -2.11 0.15 0.00 0.03 0.00 0.00 46.19 44.17 1aar s LEU 71 CO 0.04 0.40 0.40 -0.60 0.23 0.00 0.00 176.35 176.82 1aar s ARG 72 N -1.09 2.48 0.13 1.70 3.52 -0.59 -4.94 118.95 120.16 1aar s ARG 72 Ca 0.16 -2.35 -0.02 0.00 -0.13 0.00 0.00 55.73 53.39 1aar s ARG 72 Cb -0.12 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 1aar s ARG 72 CO 0.05 -1.16 0.33 -0.51 -0.81 0.00 0.00 175.30 173.20 1aar s LEU 73 N 0.25 4.29 0.14 -0.88 1.43 -1.26 -4.45 118.68 118.20 1aar s LEU 73 Ca 0.15 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1aar s LEU 73 Cb -0.21 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1aar s LEU 73 CO -0.04 0.07 0.00 0.54 0.23 0.00 0.00 176.35 177.15 1aar n ARG 74 N -0.05 0.00 -0.65 1.70 1.74 -1.26 -5.16 116.66 112.97 1aar n ARG 74 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1aar n ARG 74 Cb 0.52 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 1aar n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aar n GLY 75 N 1.70 1.18 0.00 -0.13 0.00 -1.26 -5.32 105.19 101.36 1aar n GLY 75 Ca 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1aar n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93