#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8g s GLN 2 N 0.00 3.36 -0.05 0.54 1.11 -1.26 -5.10 119.66 118.26 1a8g s GLN 2 Ca 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 55.36 54.97 1a8g s GLN 2 Cb 0.00 -2.91 0.02 0.00 -1.01 0.00 0.00 33.01 29.10 1a8g s GLN 2 CO 0.00 0.51 -0.08 0.42 0.01 0.00 0.00 175.29 176.15 1a8g s ILE 3 N -0.33 0.79 0.44 1.08 1.01 -1.26 -5.15 121.20 117.78 1a8g s ILE 3 Ca 0.07 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.51 1a8g s ILE 3 Cb -0.12 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.60 1a8g s ILE 3 CO 0.02 0.28 0.61 0.42 0.00 0.00 0.00 174.94 176.27 1a8g s THR 4 N 0.79 3.03 -0.19 2.92 -4.23 -1.26 -5.04 115.64 111.66 1a8g s THR 4 Ca -0.13 -0.92 0.16 0.00 -1.18 0.00 0.00 61.69 59.63 1a8g s THR 4 Cb -0.15 -3.04 0.55 0.00 1.34 0.00 0.00 72.50 71.20 1a8g s THR 4 CO 0.02 -0.02 1.45 0.18 -0.54 0.00 0.00 174.62 175.71 1a8g n LEU 5 N -1.94 4.04 0.24 4.79 4.77 -1.26 -4.35 117.00 123.29 1a8g n LEU 5 Ca 0.07 -3.03 0.10 0.00 -0.03 0.00 0.00 56.01 53.12 1a8g n LEU 5 Cb 0.59 -0.56 0.59 0.00 -2.33 0.00 0.00 43.42 41.71 1a8g n LEU 5 CO 0.41 0.68 0.89 -0.50 -1.33 0.00 0.00 177.39 177.54 1a8g h TRP 6 N 1.95 0.00 -3.40 -1.77 4.06 -2.07 -3.43 115.95 111.29 1a8g h TRP 6 Ca 0.01 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.61 1a8g h TRP 6 Cb 1.50 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.51 1a8g h TRP 6 CO 0.55 0.19 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.29 1a8g s GLN 7 N -4.16 1.17 -0.09 0.49 -0.21 -1.26 -5.10 119.66 110.50 1a8g s GLN 7 Ca -0.02 -1.54 -0.37 0.00 0.02 0.00 0.00 55.36 53.44 1a8g s GLN 7 Cb 0.13 -0.58 -0.15 0.00 1.00 0.00 0.00 33.01 33.42 1a8g s GLN 7 CO 0.63 -0.01 1.66 0.54 -2.12 0.00 0.00 175.29 175.99 1a8g n ARG 8 N -0.28 1.54 -2.08 2.91 1.74 -1.26 -4.83 116.66 114.39 1a8g n ARG 8 Ca -0.08 0.56 -0.36 0.00 -0.77 0.00 0.00 57.85 57.20 1a8g n ARG 8 Cb 0.62 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.74 1a8g n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a8g n PRO 9 N 4.75 2.20 -3.26 5.56 -0.04 -1.26 -4.94 135.00 138.02 1a8g n PRO 9 Ca 0.22 -2.66 -0.33 0.00 -0.04 0.00 0.00 63.50 60.70 1a8g n PRO 9 Cb 0.21 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.09 1a8g n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a8g s LEU 10 N 6.89 4.15 0.04 1.53 1.43 -1.26 -1.18 118.68 130.28 1a8g s LEU 10 Ca 0.61 1.14 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 1a8g s LEU 10 Cb 0.04 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 1a8g s LEU 10 CO 0.10 -0.11 0.15 0.54 0.23 0.00 0.00 176.35 177.26 1a8g s VAL 11 N -1.84 0.12 -0.10 -1.59 0.11 0.43 -4.92 120.40 112.61 1a8g s VAL 11 Ca 0.49 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 58.32 1a8g s VAL 11 Cb -0.11 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1a8g s VAL 11 CO 0.19 -0.56 0.62 -0.89 -3.33 0.00 0.00 175.10 171.13 1a8g s THR 12 N -2.74 5.09 0.34 5.04 2.01 -1.26 0.18 115.64 124.30 1a8g s THR 12 Ca -0.04 1.26 0.09 0.00 0.31 0.00 0.00 61.69 63.31 1a8g s THR 12 Cb -0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1a8g s THR 12 CO -0.05 0.26 0.05 0.27 -0.69 0.00 0.00 174.62 174.46 1a8g s ILE 13 N 0.87 2.73 -0.13 1.82 -4.36 -0.27 -2.65 121.20 119.21 1a8g s ILE 13 Ca 0.33 -1.90 -0.02 0.00 -0.26 0.00 0.00 60.65 58.80 1a8g s ILE 13 Cb -0.17 -2.85 0.04 0.00 1.25 0.00 0.00 42.46 40.74 1a8g s ILE 13 CO 0.15 -0.20 0.00 -0.75 0.24 0.00 0.00 174.94 174.38 1a8g s LYS 14 N -3.75 0.79 -0.09 0.37 2.20 -0.73 -1.76 119.74 116.77 1a8g s LYS 14 Ca 0.35 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1a8g s LYS 14 Cb -0.01 -1.57 0.02 0.00 -1.51 0.00 0.00 37.83 34.77 1a8g s LYS 14 CO 0.20 -0.44 -0.07 0.42 -0.36 0.00 0.00 175.35 175.10 1a8g s ILE 15 N 1.87 0.89 -1.38 5.43 1.09 -0.70 -1.27 121.20 127.13 1a8g s ILE 15 Ca 0.02 -0.25 -0.04 0.00 -1.10 0.00 0.00 60.65 59.28 1a8g s ILE 15 Cb -0.14 -0.91 0.03 0.00 -1.06 0.00 0.00 42.46 40.37 1a8g s ILE 15 CO -0.07 0.33 0.78 0.61 -0.10 0.00 0.00 174.94 176.50 1a8g n GLY 16 N 4.61 -0.35 2.74 6.18 0.00 -1.26 -1.02 105.19 116.08 1a8g n GLY 16 Ca -0.16 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a8g n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8g n GLY 17 N -1.63 0.86 3.31 -0.02 0.00 -1.26 -5.00 105.19 101.45 1a8g n GLY 17 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1a8g n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a8g s GLN 18 N -0.01 2.05 -0.11 1.61 -0.21 -0.19 -5.11 119.66 117.68 1a8g s GLN 18 Ca 0.00 -0.93 -0.14 0.00 0.02 0.00 0.00 55.36 54.31 1a8g s GLN 18 Cb 0.00 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.96 1a8g s GLN 18 CO 0.00 0.55 0.34 -0.51 -2.12 0.00 0.00 175.29 173.55 1a8g s LEU 19 N -0.65 4.31 0.19 2.90 1.02 -1.26 -1.73 118.68 123.45 1a8g s LEU 19 Ca 0.10 0.66 -0.05 0.00 0.02 0.00 0.00 54.13 54.86 1a8g s LEU 19 Cb -0.10 -2.46 -0.03 0.00 0.02 0.00 0.00 46.19 43.63 1a8g s LEU 19 CO -0.01 0.15 0.22 -0.54 0.02 0.00 0.00 176.35 176.20 1a8g s LYS 20 N 0.05 1.20 -0.11 1.70 1.02 -0.72 -5.01 119.74 117.88 1a8g s LYS 20 Ca 0.20 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.79 1a8g s LYS 20 Cb -0.14 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1a8g s LYS 20 CO 0.07 -0.42 -0.11 -1.21 -0.92 0.00 0.00 175.35 172.76 1a8g s GLU 21 N -4.06 3.14 0.12 1.68 2.02 -1.26 -1.11 118.70 119.23 1a8g s GLU 21 Ca 0.27 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.69 1a8g s GLU 21 Cb 0.05 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1a8g s GLU 21 CO 0.06 0.38 -0.17 0.00 0.02 0.00 0.00 175.26 175.55 1a8g s ALA 22 N -0.06 1.67 -0.39 5.21 0.00 0.13 -4.49 121.76 123.83 1a8g s ALA 22 Ca -0.01 -1.29 -0.24 0.00 0.00 0.00 0.00 51.96 50.42 1a8g s ALA 22 Cb -0.14 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.84 1a8g s ALA 22 CO 0.03 0.22 0.81 -1.17 0.00 0.00 0.00 175.76 175.65 1a8g s LEU 23 N -2.25 4.13 -0.51 0.00 1.98 -0.18 -0.43 118.68 121.42 1a8g s LEU 23 Ca 0.08 0.28 -0.27 0.00 -2.89 0.00 0.00 54.13 51.33 1a8g s LEU 23 Cb -0.07 -3.05 -0.01 0.00 0.66 0.00 0.00 46.19 43.71 1a8g s LEU 23 CO 0.04 -0.80 1.75 -0.76 -1.89 0.00 0.00 176.35 174.70 1a8g s LEU 24 N 3.21 3.39 -0.51 -0.68 1.02 -0.32 -1.07 118.68 123.72 1a8g s LEU 24 Ca 0.32 0.65 -0.02 0.00 0.02 0.00 0.00 54.13 55.10 1a8g s LEU 24 Cb -0.13 -2.96 0.13 0.00 0.02 0.00 0.00 46.19 43.26 1a8g s LEU 24 CO 0.19 -2.02 0.31 -0.62 0.02 0.00 0.00 176.35 174.22 1a8g s ASP 25 N 6.72 5.19 0.62 2.29 2.15 -0.16 -4.79 116.67 128.70 1a8g s ASP 25 Ca 0.69 -2.47 0.33 0.00 0.43 0.00 0.00 52.55 51.52 1a8g s ASP 25 Cb -0.15 -1.83 1.83 0.00 -0.30 0.00 0.00 42.92 42.47 1a8g s ASP 25 CO 0.26 -0.44 2.13 0.71 -0.17 0.00 0.00 175.17 177.66 1a8g h THR 26 N 5.82 0.28 -0.33 1.71 1.35 -1.94 -2.09 112.91 117.71 1a8g h THR 26 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1a8g h THR 26 Cb 0.99 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1a8g h THR 26 CO 0.70 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1a8g n GLY 27 N -1.30 1.57 3.24 5.82 0.00 -1.26 -4.76 105.19 108.51 1a8g n GLY 27 Ca -0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1a8g n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8g s ALA 28 N -1.71 2.63 -0.02 4.61 0.00 -0.79 -4.98 121.76 121.50 1a8g s ALA 28 Ca 0.26 -1.18 0.21 0.00 0.00 0.00 0.00 51.96 51.25 1a8g s ALA 28 Cb 0.17 -1.50 0.57 0.00 0.00 0.00 0.00 23.12 22.36 1a8g s ALA 28 CO 0.12 -0.39 1.67 -0.44 0.00 0.00 0.00 175.76 176.73 1a8g h ASP 29 N 8.02 0.00 -3.31 0.00 3.32 -1.87 0.11 116.42 122.69 1a8g h ASP 29 Ca -0.43 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.13 1a8g h ASP 29 Cb 1.15 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.54 1a8g h ASP 29 CO 0.62 0.30 -0.76 -1.81 -1.72 0.00 0.00 179.24 175.87 1a8g s ASP 30 N -6.29 2.68 -0.33 6.45 1.01 -1.26 -3.35 116.67 115.57 1a8g s ASP 30 Ca 0.02 -0.94 -0.14 0.00 0.71 0.00 0.00 52.55 52.20 1a8g s ASP 30 Cb 0.09 -0.16 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 1a8g s ASP 30 CO 0.68 -0.09 0.29 -0.89 0.21 0.00 0.00 175.17 175.36 1a8g s THR 31 N -2.50 5.24 -0.11 -1.27 2.01 -1.26 -3.88 115.64 113.86 1a8g s THR 31 Ca 0.20 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1a8g s THR 31 Cb -0.03 -3.74 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1a8g s THR 31 CO 0.07 -0.01 -0.15 0.54 -0.69 0.00 0.00 174.62 174.37 1a8g s VAL 32 N 1.85 1.54 0.03 3.82 0.11 -1.09 -1.22 120.40 125.44 1a8g s VAL 32 Ca 0.09 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 1a8g s VAL 32 Cb -0.17 -1.41 -0.04 0.00 -1.53 0.00 0.00 36.38 33.24 1a8g s VAL 32 CO 0.11 0.45 0.02 -0.76 -3.33 0.00 0.00 175.10 171.59 1a8g s LEU 33 N 1.03 3.57 1.02 2.54 2.01 0.13 -1.29 118.68 127.69 1a8g s LEU 33 Ca -0.05 -0.03 -0.11 0.00 0.01 0.00 0.00 54.13 53.94 1a8g s LEU 33 Cb -0.15 -2.13 0.20 0.00 0.01 0.00 0.00 46.19 44.12 1a8g s LEU 33 CO -0.02 0.24 1.07 -1.84 1.01 0.00 0.00 176.35 176.81 1a8g n GLU 34 N 1.09 -1.26 -1.66 1.70 0.28 -1.26 -1.38 120.64 118.16 1a8g n GLU 34 Ca -0.13 -0.31 -0.47 0.00 -0.16 0.00 0.00 57.16 56.09 1a8g n GLU 34 Cb 0.52 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.07 1a8g n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1a8g n GLU 35 N -4.46 1.96 -3.58 3.44 -0.58 -1.16 -4.45 120.64 111.79 1a8g n GLU 35 Ca 0.08 0.70 -0.08 0.00 -0.42 0.00 0.00 57.16 57.44 1a8g n GLU 35 Cb 0.53 -2.43 -0.02 0.00 -0.57 0.00 0.00 31.44 28.95 1a8g n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a8g s MET 36 N 0.58 1.18 -0.80 3.49 0.23 -1.26 -5.05 119.30 117.67 1a8g s MET 36 Ca 0.78 -0.53 -0.25 0.00 -1.03 0.00 0.00 55.69 54.65 1a8g s MET 36 Cb -0.72 0.48 -0.01 0.00 -1.53 0.00 0.00 34.83 33.06 1a8g s MET 36 CO 0.42 -0.53 1.71 1.21 -2.03 0.00 0.00 175.02 175.80 1a8g s ASN 37 N -2.72 5.60 -0.15 -1.18 3.84 -1.26 -4.99 114.94 114.08 1a8g s ASN 37 Ca 0.06 -0.45 -0.04 0.00 0.21 0.00 0.00 52.86 52.64 1a8g s ASN 37 Cb -0.02 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 1a8g s ASN 37 CO -0.06 -2.25 -0.02 -0.76 -2.79 0.00 0.00 177.10 171.22 1a8g s LEU 38 N 8.08 3.33 0.23 3.21 2.01 -1.26 -4.96 118.68 129.33 1a8g s LEU 38 Ca 0.59 -0.09 -0.30 0.00 0.01 0.00 0.00 54.13 54.34 1a8g s LEU 38 Cb -0.08 -1.80 -0.09 0.00 0.01 0.00 0.00 46.19 44.23 1a8g s LEU 38 CO 0.07 0.19 1.29 -2.16 1.01 0.00 0.00 176.35 176.75 1a8g s PRO 39 N 0.26 4.41 0.00 1.29 0.04 -1.26 -4.95 135.00 134.79 1a8g s PRO 39 Ca -0.02 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1a8g s PRO 39 Cb -0.14 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1a8g s PRO 39 CO 0.03 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1a8g n GLY 40 N 1.96 0.70 3.51 0.56 0.00 -1.26 -5.05 105.19 105.61 1a8g n GLY 40 Ca 0.04 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 1a8g n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8g s ARG 41 N -1.14 3.75 0.31 1.61 0.52 -1.26 -5.11 118.95 117.63 1a8g s ARG 41 Ca 0.00 -0.44 0.10 0.00 -0.52 0.00 0.00 55.73 54.88 1a8g s ARG 41 Cb 0.00 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 1a8g s ARG 41 CO 0.00 -0.21 -0.12 1.67 0.02 0.00 0.00 175.30 176.66 1a8g s TRP 42 N 1.68 2.40 0.16 -0.53 1.48 -1.26 -4.65 118.94 118.22 1a8g s TRP 42 Ca 0.06 -0.40 0.08 0.00 -1.06 0.00 0.00 56.10 54.79 1a8g s TRP 42 Cb -0.16 -1.22 -0.04 0.00 -1.16 0.00 0.00 33.47 30.90 1a8g s TRP 42 CO 0.07 0.63 -0.09 0.15 -4.06 0.00 0.00 176.95 173.66 1a8g s LYS 43 N -3.59 2.11 0.89 3.25 3.01 0.02 -4.83 119.74 120.61 1a8g s LYS 43 Ca 0.32 -1.18 -0.12 0.00 -1.01 0.00 0.00 55.97 53.98 1a8g s LYS 43 Cb -0.02 -2.22 0.13 0.00 -1.01 0.00 0.00 37.83 34.71 1a8g s LYS 43 CO 0.17 0.46 1.12 -2.14 0.51 0.00 0.00 175.35 175.47 1a8g s PRO 44 N -2.66 1.29 -0.15 -1.68 0.02 -1.26 0.22 135.00 130.78 1a8g s PRO 44 Ca 0.24 0.40 -0.34 0.00 0.02 0.00 0.00 61.00 61.33 1a8g s PRO 44 Cb -0.10 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.71 1a8g s PRO 44 CO 0.15 -2.12 1.15 0.21 -0.33 0.00 0.00 177.00 176.07 1a8g s LYS 45 N -5.21 0.41 -0.05 5.54 2.20 -0.38 -4.69 119.74 117.55 1a8g s LYS 45 Ca 0.63 -0.16 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 1a8g s LYS 45 Cb -0.15 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1a8g s LYS 45 CO 0.54 -0.18 -0.16 -1.64 -0.36 0.00 0.00 175.35 173.55 1a8g s MET 46 N -2.55 1.80 0.27 4.03 -1.94 -1.26 -0.99 119.30 118.67 1a8g s MET 46 Ca 0.09 -0.56 0.12 0.00 -1.71 0.00 0.00 55.69 53.63 1a8g s MET 46 Cb -0.01 -1.53 -0.05 0.00 2.01 0.00 0.00 34.83 35.26 1a8g s MET 46 CO -0.05 0.18 -0.20 0.96 -0.01 0.00 0.00 175.02 175.89 1a8g s ILE 47 N 0.22 2.47 0.19 2.53 -4.36 -0.71 -4.95 121.20 116.60 1a8g s ILE 47 Ca -0.08 -2.38 0.10 0.00 -0.26 0.00 0.00 60.65 58.03 1a8g s ILE 47 Cb -0.13 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 1a8g s ILE 47 CO 0.03 -0.38 -0.13 -0.83 0.24 0.00 0.00 174.94 173.87 1a8g s GLY 48 N -3.44 1.73 0.00 6.27 0.00 -1.26 -1.72 107.32 108.89 1a8g s GLY 48 Ca 0.29 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1a8g s GLY 48 CO 0.15 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1a8g n GLY 49 N 0.08 2.77 0.16 0.20 0.00 -0.98 -5.01 105.19 102.41 1a8g n GLY 49 Ca -0.11 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1a8g n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1a8g h ILE 50 N 0.91 1.41 -0.68 -0.61 -0.00 -2.02 -3.24 117.51 113.28 1a8g h ILE 50 Ca 0.00 -2.24 0.00 0.00 -0.00 0.00 0.00 64.86 62.62 1a8g h ILE 50 Cb 0.00 2.19 0.00 0.00 -0.00 0.00 0.00 36.82 39.01 1a8g h ILE 50 CO 0.00 0.66 0.00 0.61 -0.00 0.00 0.00 178.15 179.42 1a8g n GLY 51 N 0.57 2.43 0.00 0.16 0.00 -1.26 -5.03 105.19 102.06 1a8g n GLY 51 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1a8g n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8g n GLY 52 N 1.44 1.00 3.91 -0.02 0.00 -1.22 -5.10 105.19 105.20 1a8g n GLY 52 Ca 0.24 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 1a8g n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8g s PHE 53 N -1.50 3.48 0.27 1.61 0.40 -1.26 -2.33 117.98 118.65 1a8g s PHE 53 Ca 0.00 0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.80 1a8g s PHE 53 Cb 0.00 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 1a8g s PHE 53 CO 0.00 0.42 -0.02 0.96 0.70 0.00 0.00 175.22 177.27 1a8g s ILE 54 N -1.76 1.36 -0.16 0.64 -4.36 -0.70 -4.96 121.20 111.26 1a8g s ILE 54 Ca 0.39 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.63 1a8g s ILE 54 Cb -0.12 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 1a8g s ILE 54 CO 0.27 -0.28 0.11 -0.54 0.24 0.00 0.00 174.94 174.75 1a8g s LYS 55 N -3.80 3.77 0.12 0.37 1.02 -1.26 -1.73 119.74 118.23 1a8g s LYS 55 Ca 0.30 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.08 1a8g s LYS 55 Cb 0.05 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1a8g s LYS 55 CO 0.11 0.51 -0.02 0.14 -0.92 0.00 0.00 175.35 175.17 1a8g s VAL 56 N -0.27 0.53 -0.13 3.17 -7.23 -0.16 -4.53 120.40 111.78 1a8g s VAL 56 Ca 0.10 -1.93 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1a8g s VAL 56 Cb -0.12 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1a8g s VAL 56 CO 0.01 -0.71 0.07 -0.13 -0.31 0.00 0.00 175.10 174.04 1a8g s ARG 57 N -3.90 3.47 -0.26 4.82 0.52 -0.53 -1.25 118.95 121.82 1a8g s ARG 57 Ca 0.17 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 1a8g s ARG 57 Cb 0.06 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.41 1a8g s ARG 57 CO -0.02 0.60 0.24 -0.65 0.02 0.00 0.00 175.30 175.49 1a8g s GLN 58 N -0.54 4.02 -0.18 3.54 -0.21 0.13 -1.74 119.66 124.68 1a8g s GLN 58 Ca 0.11 -0.18 -0.01 0.00 0.02 0.00 0.00 55.36 55.30 1a8g s GLN 58 Cb -0.12 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 30.28 1a8g s GLN 58 CO 0.02 -0.13 -0.13 0.71 -2.12 0.00 0.00 175.29 173.64 1a8g s TYR 59 N 1.61 2.84 0.33 0.91 1.51 -0.67 -0.80 117.35 123.09 1a8g s TYR 59 Ca 0.10 -1.16 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 1a8g s TYR 59 Cb -0.15 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1a8g s TYR 59 CO 0.09 -0.58 0.56 -0.51 -1.11 0.00 0.00 175.55 174.00 1a8g s ASP 60 N 1.14 6.33 -1.18 2.29 1.01 -1.26 -1.45 116.67 123.54 1a8g s ASP 60 Ca 0.01 0.55 -0.31 0.00 0.71 0.00 0.00 52.55 53.50 1a8g s ASP 60 Cb -0.14 -2.07 0.04 0.00 1.01 0.00 0.00 42.92 41.75 1a8g s ASP 60 CO -0.05 -0.28 0.70 0.00 0.21 0.00 0.00 175.17 175.75 1a8g n GLN 61 N -1.55 -0.44 -3.59 8.23 6.02 -0.93 -4.92 117.38 120.19 1a8g n GLN 61 Ca -0.04 0.16 -0.37 0.00 -0.01 0.00 0.00 57.00 56.75 1a8g n GLN 61 Cb 0.55 -2.74 -0.09 0.00 1.02 0.00 0.00 30.24 28.98 1a8g n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a8g s ILE 62 N -3.49 5.32 0.31 5.09 -1.09 0.24 -4.83 121.20 122.75 1a8g s ILE 62 Ca 0.47 0.28 -0.29 0.00 -2.23 0.00 0.00 60.65 58.88 1a8g s ILE 62 Cb -0.25 -3.55 -0.10 0.00 -1.58 0.00 0.00 42.46 36.99 1a8g s ILE 62 CO 0.95 0.30 1.16 -0.22 -1.23 0.00 0.00 174.94 175.91 1a8g s LEU 63 N 1.28 4.47 -0.02 2.97 2.96 -1.26 -1.38 118.68 127.70 1a8g s LEU 63 Ca 0.10 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1a8g s LEU 63 Cb -0.14 -3.69 0.02 0.00 0.50 0.00 0.00 46.19 42.88 1a8g s LEU 63 CO 0.06 -0.31 0.01 -0.63 -1.32 0.00 0.00 176.35 174.16 1a8g s ILE 64 N -1.20 0.05 -0.44 6.68 1.01 0.28 -4.45 121.20 123.13 1a8g s ILE 64 Ca 0.47 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1a8g s ILE 64 Cb -0.34 -0.13 0.08 0.00 0.01 0.00 0.00 42.46 42.09 1a8g s ILE 64 CO 0.44 0.08 0.30 -0.70 0.00 0.00 0.00 174.94 175.06 1a8g s GLU 65 N 0.67 2.71 -0.30 2.79 2.12 -0.40 -1.27 118.70 125.03 1a8g s GLU 65 Ca -0.06 -1.45 -0.12 0.00 0.36 0.00 0.00 54.97 53.71 1a8g s GLU 65 Cb -0.09 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 1a8g s GLU 65 CO -0.02 -0.99 0.22 0.42 -0.54 0.00 0.00 175.26 174.35 1a8g s ILE 66 N 1.48 5.29 -0.93 -3.70 1.09 0.12 -1.77 121.20 122.79 1a8g s ILE 66 Ca 0.03 0.06 -0.14 0.00 -1.10 0.00 0.00 60.65 59.51 1a8g s ILE 66 Cb -0.24 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.58 1a8g s ILE 66 CO 0.03 0.15 0.60 0.00 -0.10 0.00 0.00 174.94 175.63 1a8g n GLY 68 N -1.78 0.43 3.75 0.00 0.00 -1.26 -4.92 105.19 101.42 1a8g n GLY 68 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1a8g n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a8g s HIS 69 N -1.37 3.52 0.24 1.61 4.02 0.68 -5.06 115.29 118.93 1a8g s HIS 69 Ca 0.00 0.73 -0.19 0.00 1.02 0.00 0.00 55.06 56.62 1a8g s HIS 69 Cb 0.00 -2.37 -0.08 0.00 -1.02 0.00 0.00 32.58 29.11 1a8g s HIS 69 CO 0.00 0.30 0.72 0.15 1.02 0.00 0.00 174.74 176.94 1a8g s LYS 70 N 0.21 4.21 0.06 1.40 1.02 -1.26 0.16 119.74 125.53 1a8g s LYS 70 Ca 0.20 0.83 -0.10 0.00 0.02 0.00 0.00 55.97 56.92 1a8g s LYS 70 Cb -0.14 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1a8g s LYS 70 CO 0.07 0.36 0.22 0.00 -0.92 0.00 0.00 175.35 175.08 1a8g s ALA 71 N -1.60 -0.40 -0.13 5.17 0.00 -0.39 -4.87 121.76 119.53 1a8g s ALA 71 Ca 0.45 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1a8g s ALA 71 Cb -0.16 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1a8g s ALA 71 CO 0.20 -0.43 0.01 0.42 0.00 0.00 0.00 175.76 175.96 1a8g s ILE 72 N -3.01 0.53 0.01 0.00 1.01 -1.26 -0.56 121.20 117.92 1a8g s ILE 72 Ca -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 1a8g s ILE 72 Cb 0.01 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1a8g s ILE 72 CO -0.06 0.08 0.02 0.61 0.00 0.00 0.00 174.94 175.58 1a8g n GLY 73 N 5.08 2.84 3.69 6.18 0.00 -0.48 -4.86 105.19 117.64 1a8g n GLY 73 Ca -0.09 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1a8g n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8g s THR 74 N -2.57 5.00 -0.03 2.61 2.01 -1.26 -0.59 115.64 120.81 1a8g s THR 74 Ca 0.01 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.48 1a8g s THR 74 Cb -0.00 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 1a8g s THR 74 CO 0.01 0.16 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.16 1a8g s VAL 75 N 1.41 1.98 -0.14 3.82 1.01 -0.53 -4.58 120.40 123.36 1a8g s VAL 75 Ca 0.35 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1a8g s VAL 75 Cb -0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1a8g s VAL 75 CO 0.14 0.56 -0.06 -0.76 0.00 0.00 0.00 175.10 174.98 1a8g s LEU 76 N -0.42 3.12 -0.01 3.92 1.43 -0.36 -1.66 118.68 124.70 1a8g s LEU 76 Ca 0.05 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1a8g s LEU 76 Cb -0.11 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1a8g s LEU 76 CO 0.01 0.18 -0.03 -0.69 0.23 0.00 0.00 176.35 176.05 1a8g s VAL 77 N 0.26 3.93 -0.92 -1.59 1.01 -0.71 -0.69 120.40 121.69 1a8g s VAL 77 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1a8g s VAL 77 Cb -0.14 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1a8g s VAL 77 CO 0.04 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1a8g n GLY 78 N 1.52 -1.16 2.24 4.51 0.00 -0.48 -1.45 105.19 110.37 1a8g n GLY 78 Ca -0.15 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1a8g n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a8g n PRO 79 N 0.00 3.10 -2.86 1.61 -0.02 -1.26 -3.01 135.00 132.55 1a8g n PRO 79 Ca 0.00 -1.96 -0.34 0.00 -2.02 0.00 0.00 63.50 59.18 1a8g n PRO 79 Cb 0.00 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 30.98 1a8g n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1a8g s THR 80 N 0.89 4.39 0.25 3.45 -1.32 -1.26 -4.96 115.64 117.09 1a8g s THR 80 Ca 0.66 1.49 0.16 0.00 -1.21 0.00 0.00 61.69 62.79 1a8g s THR 80 Cb 0.25 -3.70 0.10 0.00 -1.51 0.00 0.00 72.50 67.64 1a8g s THR 80 CO -0.06 -0.19 1.74 1.55 -2.21 0.00 0.00 174.62 175.46 1a8g h PRO 81 N 2.27 0.00 -5.52 7.08 0.13 -1.98 -3.43 132.00 130.55 1a8g h PRO 81 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 1a8g h PRO 81 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 1a8g h PRO 81 CO 0.62 0.42 -0.80 0.14 -0.23 0.00 0.00 178.00 178.16 1a8g s VAL 82 N -3.76 1.25 0.30 1.56 -7.23 -1.26 -5.04 120.40 106.22 1a8g s VAL 82 Ca -0.01 -1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.64 1a8g s VAL 82 Cb 0.12 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.81 1a8g s VAL 82 CO 0.71 -0.08 1.26 0.20 -0.31 0.00 0.00 175.10 176.87 1a8g s ASN 83 N -1.51 6.90 -0.08 4.85 0.01 -1.26 -4.65 114.94 119.19 1a8g s ASN 83 Ca 0.01 2.56 0.01 0.00 -0.71 0.00 0.00 52.86 54.73 1a8g s ASN 83 Cb -0.09 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 38.95 1a8g s ASN 83 CO 0.02 -0.45 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.45 1a8g s ILE 84 N -0.99 0.98 -0.26 0.60 1.01 -0.41 -1.01 121.20 121.13 1a8g s ILE 84 Ca 0.49 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1a8g s ILE 84 Cb -0.38 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 1a8g s ILE 84 CO 0.48 0.34 0.18 -0.63 0.00 0.00 0.00 174.94 175.31 1a8g s ILE 85 N 1.20 5.34 0.54 2.92 -1.09 -0.23 -2.65 121.20 127.22 1a8g s ILE 85 Ca -0.05 0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.60 1a8g s ILE 85 Cb -0.14 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1a8g s ILE 85 CO -0.02 0.31 0.28 -0.83 -1.23 0.00 0.00 174.94 173.45 1a8g s GLY 86 N 1.33 2.58 0.06 6.18 0.00 -1.25 -0.99 107.32 115.24 1a8g s GLY 86 Ca 0.08 -0.96 0.08 0.00 0.00 0.00 0.00 44.72 43.92 1a8g s GLY 86 CO 0.07 -2.02 1.27 0.54 0.00 0.00 0.00 173.10 172.95 1a8g n ARG 87 N -1.62 0.03 0.22 2.90 1.74 0.38 -0.97 116.66 119.35 1a8g n ARG 87 Ca -0.07 0.45 0.13 0.00 -0.77 0.00 0.00 57.85 57.59 1a8g n ARG 87 Cb 0.65 -1.59 0.28 0.00 -1.02 0.00 0.00 32.46 30.78 1a8g n ARG 87 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1a8g h ASN 88 N 0.00 0.00 0.00 0.55 -1.07 -1.81 -3.14 115.58 110.11 1a8g h ASN 88 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.11 1a8g h ASN 88 Cb 0.09 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.29 1a8g h ASN 88 CO 0.00 0.00 -2.00 0.18 0.07 0.00 0.00 177.43 175.68 1a8g n LEU 89 N -3.04 1.52 -0.31 6.14 4.77 -0.14 -4.59 117.00 121.34 1a8g n LEU 89 Ca 0.03 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1a8g n LEU 89 Cb 0.48 -0.15 0.33 0.00 -2.33 0.00 0.00 43.42 41.75 1a8g n LEU 89 CO 0.32 0.58 1.22 -0.07 -1.33 0.00 0.00 177.39 178.12 1a8g h LEU 90 N 0.00 0.76 -1.46 2.23 3.38 -1.33 0.45 115.31 119.34 1a8g h LEU 90 Ca -0.39 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1a8g h LEU 90 Cb 1.74 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1a8g h LEU 90 CO -0.02 0.37 -0.17 0.71 0.09 0.00 0.00 178.44 179.42 1a8g h THR 91 N 0.80 0.50 -0.19 0.22 1.35 -1.81 -0.99 112.91 112.78 1a8g h THR 91 Ca 0.49 -0.85 -0.21 0.00 -0.55 0.00 0.00 66.41 65.29 1a8g h THR 91 Cb 0.69 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1a8g h THR 91 CO -0.25 0.16 -0.69 1.56 -0.25 0.00 0.00 175.52 176.05 1a8g h GLN 92 N 0.00 0.78 -0.56 4.72 4.20 -0.34 -2.92 115.11 120.98 1a8g h GLN 92 Ca -0.00 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1a8g h GLN 92 Cb 0.57 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1a8g h GLN 92 CO 0.02 1.20 0.00 0.44 -0.67 0.00 0.00 178.83 179.82 1a8g n ILE 93 N -3.95 0.68 -1.71 2.54 -5.35 -1.06 -4.91 119.36 105.61 1a8g n ILE 93 Ca -0.06 -0.43 -0.08 0.00 -0.27 0.00 0.00 62.75 61.91 1a8g n ILE 93 Cb 0.70 -0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.46 1a8g n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a8g n GLY 94 N 0.57 0.49 3.75 3.28 0.00 -1.10 -5.02 105.19 107.15 1a8g n GLY 94 Ca 0.10 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1a8g n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8g s THR 96 N -0.62 0.89 0.09 0.00 -4.23 -1.26 -4.67 115.64 105.83 1a8g s THR 96 Ca 0.47 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1a8g s THR 96 Cb -0.30 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1a8g s THR 96 CO 0.37 -0.78 0.07 -0.22 -0.54 0.00 0.00 174.62 173.51 1a8g s LEU 97 N -3.11 3.73 -0.13 4.79 2.96 -1.26 -5.09 118.68 120.57 1a8g s LEU 97 Ca 0.15 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1a8g s LEU 97 Cb 0.04 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.34 1a8g s LEU 97 CO -0.02 0.17 0.33 0.20 -1.32 0.00 0.00 176.35 175.71 1a8g s ASN 98 N -2.41 -0.35 0.00 3.68 0.01 -1.26 -5.29 114.94 109.33 1a8g s ASN 98 Ca 0.29 0.67 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 1a8g s ASN 98 Cb -0.12 0.67 0.00 0.00 0.41 0.00 0.00 41.25 42.21 1a8g s ASN 98 CO 0.21 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.90