#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8g s GLN 2 N 0.00 3.28 -0.26 0.54 0.74 -1.26 -5.10 119.66 117.59 2f8g s GLN 2 Ca 0.00 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.68 2f8g s GLN 2 Cb 0.00 -2.80 0.02 0.00 1.10 0.00 0.00 33.01 31.33 2f8g s GLN 2 CO 0.00 -0.10 -0.01 0.42 -0.55 0.00 0.00 175.29 175.04 2f8g s ILE 3 N 1.16 3.25 0.87 -2.34 1.01 -1.26 -5.10 121.20 118.79 2f8g s ILE 3 Ca 0.01 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.64 2f8g s ILE 3 Cb -0.14 -2.65 0.12 0.00 0.01 0.00 0.00 42.46 39.79 2f8g s ILE 3 CO -0.03 0.17 1.16 0.42 0.00 0.00 0.00 174.94 176.65 2f8g s THR 4 N 1.39 2.00 -0.14 2.92 -4.23 -1.26 -5.00 115.64 111.31 2f8g s THR 4 Ca 0.01 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.71 2f8g s THR 4 Cb -0.17 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.13 2f8g s THR 4 CO -0.02 0.00 1.17 0.18 -0.54 0.00 0.00 174.62 175.40 2f8g n LEU 5 N -3.60 2.43 0.06 4.79 4.77 -1.26 -4.58 117.00 119.62 2f8g n LEU 5 Ca 0.07 -3.12 0.04 0.00 -0.03 0.00 0.00 56.01 52.97 2f8g n LEU 5 Cb 0.60 -0.44 0.46 0.00 -2.33 0.00 0.00 43.42 41.71 2f8g n LEU 5 CO 0.57 0.74 1.11 -0.50 -1.33 0.00 0.00 177.39 177.98 2f8g h TRP 6 N 0.12 0.40 -2.23 -1.77 4.06 -2.06 -3.44 115.95 111.03 2f8g h TRP 6 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 2f8g h TRP 6 Cb 1.02 -0.13 -0.13 0.00 -1.00 0.00 0.00 29.16 28.91 2f8g h TRP 6 CO 0.06 0.28 -0.62 0.15 -3.56 0.00 0.00 178.44 174.74 2f8g s LYS 7 N -5.33 1.79 0.26 0.49 1.02 -1.26 -5.11 119.74 111.60 2f8g s LYS 7 Ca -0.07 -1.99 -0.31 0.00 0.02 0.00 0.00 55.97 53.62 2f8g s LYS 7 Cb 0.17 -1.30 -0.12 0.00 -0.52 0.00 0.00 37.83 36.06 2f8g s LYS 7 CO 0.72 -0.08 1.60 0.54 -0.92 0.00 0.00 175.35 177.21 2f8g n ARG 8 N -0.81 2.59 -2.61 1.68 1.74 -1.26 -4.88 116.66 113.11 2f8g n ARG 8 Ca -0.04 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.53 2f8g n ARG 8 Cb 0.66 -2.70 -0.00 0.00 -1.02 0.00 0.00 32.46 29.40 2f8g n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2f8g s PRO 9 N -0.03 4.00 0.01 5.56 0.04 -1.26 -4.95 135.00 138.36 2f8g s PRO 9 Ca 0.68 -2.04 -0.17 0.00 0.04 0.00 0.00 61.00 59.51 2f8g s PRO 9 Cb -0.53 -5.50 -0.06 0.00 0.04 0.00 0.00 34.50 28.45 2f8g s PRO 9 CO 0.44 -2.22 0.48 -0.51 0.04 0.00 0.00 177.00 175.23 2f8g s LEU 10 N 4.03 4.46 0.18 -3.56 1.43 -1.26 -1.19 118.68 122.77 2f8g s LEU 10 Ca 0.53 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.69 2f8g s LEU 10 Cb 0.03 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 2f8g s LEU 10 CO 0.07 0.25 0.02 0.68 0.23 0.00 0.00 176.35 177.61 2f8g s VAL 11 N -0.81 0.57 -0.03 -1.59 -7.23 0.27 -4.96 120.40 106.63 2f8g s VAL 11 Ca 0.26 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.23 2f8g s VAL 11 Cb -0.17 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2f8g s VAL 11 CO 0.15 -0.40 0.66 -0.89 -0.31 0.00 0.00 175.10 174.31 2f8g s THR 12 N -3.74 4.95 0.23 5.32 2.01 -1.26 -0.82 115.64 122.33 2f8g s THR 12 Ca 0.26 1.38 0.11 0.00 0.31 0.00 0.00 61.69 63.75 2f8g s THR 12 Cb 0.06 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2f8g s THR 12 CO 0.05 0.34 -0.20 0.27 -0.69 0.00 0.00 174.62 174.39 2f8g s ILE 13 N 0.28 2.54 -0.15 1.82 -4.36 0.59 -1.43 121.20 120.50 2f8g s ILE 13 Ca 0.35 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.63 2f8g s ILE 13 Cb -0.18 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.27 2f8g s ILE 13 CO 0.18 -0.23 -0.21 -0.75 0.24 0.00 0.00 174.94 174.17 2f8g s LYS 14 N -3.04 3.00 -0.12 0.37 2.20 -0.08 -1.02 119.74 121.05 2f8g s LYS 14 Ca 0.25 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.94 2f8g s LYS 14 Cb -0.07 -2.46 0.04 0.00 -1.51 0.00 0.00 37.83 33.84 2f8g s LYS 14 CO 0.13 -0.06 0.29 -1.50 -0.36 0.00 0.00 175.35 173.85 2f8g s ILE 15 N 0.92 -0.03 -1.57 5.43 2.07 -0.37 -1.41 121.20 126.24 2f8g s ILE 15 Ca -0.04 0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.29 2f8g s ILE 15 Cb -0.15 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2f8g s ILE 15 CO -0.04 0.04 0.03 0.61 -1.91 0.00 0.00 174.94 173.66 2f8g n GLY 16 N 3.92 -0.50 2.35 1.50 0.00 -1.26 -0.79 105.19 110.41 2f8g n GLY 16 Ca -0.22 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2f8g n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f8g n GLY 17 N -0.98 1.40 3.60 -0.02 0.00 -1.26 -5.02 105.19 102.91 2f8g n GLY 17 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2f8g n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f8g s GLN 18 N -0.22 2.76 -0.06 1.61 -0.21 0.03 -5.10 119.66 118.47 2f8g s GLN 18 Ca 0.00 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.63 2f8g s GLN 18 Cb 0.00 -2.61 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 2f8g s GLN 18 CO 0.00 0.66 0.54 -0.51 -2.12 0.00 0.00 175.29 173.86 2f8g s LEU 19 N -0.93 4.36 0.07 2.90 1.43 -1.26 -1.24 118.68 124.01 2f8g s LEU 19 Ca 0.13 1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 54.22 2f8g s LEU 19 Cb -0.11 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2f8g s LEU 19 CO 0.03 0.06 0.01 -0.54 0.23 0.00 0.00 176.35 176.13 2f8g s LYS 20 N 0.15 0.68 -0.03 1.70 1.02 -0.19 -4.99 119.74 118.09 2f8g s LYS 20 Ca 0.29 -1.22 -0.12 0.00 0.02 0.00 0.00 55.97 54.93 2f8g s LYS 20 Cb -0.17 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2f8g s LYS 20 CO 0.14 -0.15 0.33 -1.21 -0.92 0.00 0.00 175.35 173.54 2f8g s GLU 21 N -3.93 3.77 0.04 1.68 0.41 -1.26 -0.30 118.70 119.11 2f8g s GLU 21 Ca 0.09 0.24 -0.08 0.00 -0.41 0.00 0.00 54.97 54.81 2f8g s GLU 21 Cb 0.08 -3.19 -0.00 0.00 -1.78 0.00 0.00 34.13 29.23 2f8g s GLU 21 CO -0.08 0.71 0.16 0.00 -0.49 0.00 0.00 175.26 175.56 2f8g s ALA 22 N -1.09 -0.27 -0.20 5.21 0.00 0.00 -4.54 121.76 120.87 2f8g s ALA 22 Ca 0.22 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.64 2f8g s ALA 22 Cb -0.15 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2f8g s ALA 22 CO 0.11 -0.34 0.48 -1.17 0.00 0.00 0.00 175.76 174.83 2f8g s LEU 23 N -2.08 4.15 -0.38 0.00 2.96 0.17 -0.57 118.68 122.94 2f8g s LEU 23 Ca -0.05 0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 54.19 2f8g s LEU 23 Cb -0.01 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 44.04 2f8g s LEU 23 CO -0.04 -0.14 1.46 -0.76 -1.32 0.00 0.00 176.35 175.55 2f8g s LEU 24 N 1.51 3.63 -0.38 -0.68 1.43 -0.33 -0.91 118.68 122.95 2f8g s LEU 24 Ca 0.22 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 2f8g s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2f8g s LEU 24 CO 0.09 -1.42 0.14 -0.62 0.23 0.00 0.00 176.35 174.78 2f8g s ASP 25 N 4.09 4.21 0.39 2.29 -1.08 -0.33 -4.79 116.67 121.46 2f8g s ASP 25 Ca 0.64 -2.26 0.28 0.00 -0.52 0.00 0.00 52.55 50.69 2f8g s ASP 25 Cb -0.16 -1.26 1.26 0.00 -1.46 0.00 0.00 42.92 41.30 2f8g s ASP 25 CO 0.32 -0.34 1.85 0.71 0.52 0.00 0.00 175.17 178.22 2f8g h THR 26 N 6.07 0.00 -0.01 1.71 1.35 -1.94 -1.71 112.91 118.38 2f8g h THR 26 Ca -0.07 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2f8g h THR 26 Cb 0.98 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2f8g h THR 26 CO 0.52 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 176.37 2f8g n GLY 27 N -0.28 -0.65 3.59 5.82 0.00 -1.26 -4.80 105.19 107.61 2f8g n GLY 27 Ca 0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2f8g n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f8g s ALA 28 N -2.16 3.41 0.18 4.61 0.00 -0.64 -4.98 121.76 122.18 2f8g s ALA 28 Ca 0.38 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 2f8g s ALA 28 Cb 0.21 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 21.27 2f8g s ALA 28 CO 0.39 -0.19 1.69 -0.44 0.00 0.00 0.00 175.76 177.21 2f8g h ASP 29 N 7.53 0.97 -3.59 0.00 3.32 -1.87 0.14 116.42 122.92 2f8g h ASP 29 Ca -0.37 -0.24 -0.65 0.00 0.02 0.00 0.00 57.03 55.79 2f8g h ASP 29 Cb 1.17 -0.25 -0.20 0.00 0.22 0.00 0.00 39.33 40.27 2f8g h ASP 29 CO 0.64 0.95 -0.84 -1.81 -1.72 0.00 0.00 179.24 176.46 2f8g s ASP 30 N -6.35 3.24 -0.06 6.45 1.01 -1.26 -2.48 116.67 117.23 2f8g s ASP 30 Ca -0.12 -0.81 -0.25 0.00 0.71 0.00 0.00 52.55 52.09 2f8g s ASP 30 Cb 0.13 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 2f8g s ASP 30 CO 0.83 0.12 0.75 -0.89 0.21 0.00 0.00 175.17 176.19 2f8g s THR 31 N -1.42 5.01 -0.08 -1.27 2.01 -1.26 -3.66 115.64 114.97 2f8g s THR 31 Ca 0.16 1.55 -0.01 0.00 0.31 0.00 0.00 61.69 63.71 2f8g s THR 31 Cb -0.09 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.36 2f8g s THR 31 CO 0.08 0.23 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.51 2f8g s VAL 32 N 0.87 0.61 0.08 3.82 1.01 -0.43 -1.11 120.40 125.26 2f8g s VAL 32 Ca 0.40 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.41 2f8g s VAL 32 Cb -0.18 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2f8g s VAL 32 CO 0.20 0.29 -0.21 -0.63 0.00 0.00 0.00 175.10 174.74 2f8g s ILE 33 N 1.65 2.59 0.90 2.22 -1.09 0.20 -0.62 121.20 127.05 2f8g s ILE 33 Ca 0.01 -1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 56.90 2f8g s ILE 33 Cb -0.13 -2.12 0.10 0.00 -1.58 0.00 0.00 42.46 38.74 2f8g s ILE 33 CO -0.05 0.23 0.93 -0.62 -1.23 0.00 0.00 174.94 174.20 2f8g n GLU 34 N 1.26 -0.28 -1.64 2.79 1.02 -1.25 -1.51 120.64 121.03 2f8g n GLU 34 Ca -0.16 -0.02 -0.49 0.00 -0.02 0.00 0.00 57.16 56.47 2f8g n GLU 34 Cb 0.52 -2.22 -0.05 0.00 -0.02 0.00 0.00 31.44 29.67 2f8g n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2f8g n GLU 35 N -3.24 1.69 -3.48 3.49 -0.58 -1.22 -4.59 120.64 112.71 2f8g n GLU 35 Ca 0.11 0.61 -0.10 0.00 -0.42 0.00 0.00 57.16 57.36 2f8g n GLU 35 Cb 0.52 -2.33 -0.02 0.00 -0.57 0.00 0.00 31.44 29.04 2f8g n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2f8g s MET 36 N 0.97 1.07 0.24 3.49 0.23 -1.26 -5.04 119.30 119.00 2f8g s MET 36 Ca 0.82 -0.41 -0.24 0.00 -1.03 0.00 0.00 55.69 54.83 2f8g s MET 36 Cb -0.81 0.48 -0.09 0.00 -1.53 0.00 0.00 34.83 32.89 2f8g s MET 36 CO 0.43 -0.47 0.83 -1.12 -2.03 0.00 0.00 175.02 172.66 2f8g s SER 37 N -2.63 7.31 0.03 -1.18 0.01 -1.26 -5.02 113.70 110.95 2f8g s SER 37 Ca 0.04 1.67 0.02 0.00 1.31 0.00 0.00 55.95 58.99 2f8g s SER 37 Cb -0.01 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2f8g s SER 37 CO -0.10 0.07 -0.07 -0.76 0.41 0.00 0.00 173.24 172.78 2f8g s LEU 38 N -1.68 2.21 0.68 2.44 1.43 -1.26 -4.92 118.68 117.58 2f8g s LEU 38 Ca 0.43 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 2f8g s LEU 38 Cb -0.20 -0.18 -0.00 0.00 0.03 0.00 0.00 46.19 45.84 2f8g s LEU 38 CO 0.25 -0.16 1.05 -2.16 0.23 0.00 0.00 176.35 175.56 2f8g s PRO 39 N -1.32 3.08 0.19 1.29 0.04 -1.26 -4.94 135.00 132.08 2f8g s PRO 39 Ca -0.08 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.89 2f8g s PRO 39 Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2f8g s PRO 39 CO 0.00 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2f8g n GLY 40 N -2.08 -2.45 3.79 0.56 0.00 -1.26 -4.97 105.19 98.79 2f8g n GLY 40 Ca 0.07 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 2f8g n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f8g s ARG 41 N -0.33 3.61 0.12 1.61 0.52 -1.26 -5.08 118.95 118.14 2f8g s ARG 41 Ca 0.00 1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 56.50 2f8g s ARG 41 Cb 0.00 -2.06 -0.01 0.00 0.52 0.00 0.00 34.95 33.39 2f8g s ARG 41 CO 0.00 -0.59 0.18 1.67 0.02 0.00 0.00 175.30 176.58 2f8g s TRP 42 N -2.07 0.40 0.06 -0.53 1.48 -1.26 -4.42 118.94 112.60 2f8g s TRP 42 Ca 0.67 -0.81 0.01 0.00 -1.06 0.00 0.00 56.10 54.92 2f8g s TRP 42 Cb -0.17 -0.16 -0.03 0.00 -1.16 0.00 0.00 33.47 31.94 2f8g s TRP 42 CO 0.25 -0.59 -0.06 -1.59 -4.06 0.00 0.00 176.95 170.90 2f8g s LYS 43 N -3.94 0.60 0.51 3.25 -2.85 -0.74 -4.93 119.74 111.64 2f8g s LYS 43 Ca 0.13 -0.99 -0.18 0.00 -1.00 0.00 0.00 55.97 53.93 2f8g s LYS 43 Cb 0.05 -0.10 -0.08 0.00 -2.06 0.00 0.00 37.83 35.64 2f8g s LYS 43 CO -0.05 -0.02 1.01 -1.25 0.10 0.00 0.00 175.35 175.15 2f8g s PRO 44 N -2.67 3.81 0.00 1.78 0.04 -1.26 -0.49 135.00 136.21 2f8g s PRO 44 Ca -0.01 1.16 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 2f8g s PRO 44 Cb -0.02 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.43 2f8g s PRO 44 CO -0.03 -0.40 0.31 0.21 0.04 0.00 0.00 177.00 177.13 2f8g s LYS 45 N -3.66 0.72 -0.11 4.56 2.20 -0.64 -4.85 119.74 117.95 2f8g s LYS 45 Ca 0.63 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2f8g s LYS 45 Cb -0.13 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2f8g s LYS 45 CO 0.26 -0.21 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.28 2f8g s MET 46 N -1.69 3.19 0.03 4.03 -1.94 -1.26 -0.52 119.30 121.14 2f8g s MET 46 Ca -0.11 -0.66 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 2f8g s MET 46 Cb -0.04 -2.60 -0.02 0.00 2.01 0.00 0.00 34.83 34.17 2f8g s MET 46 CO 0.02 0.33 -0.21 0.96 -0.01 0.00 0.00 175.02 176.11 2f8g s ILE 47 N 0.05 1.72 0.07 2.53 -4.36 -0.51 -4.97 121.20 115.74 2f8g s ILE 47 Ca -0.04 -1.14 0.10 0.00 -0.26 0.00 0.00 60.65 59.30 2f8g s ILE 47 Cb -0.14 -1.48 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 2f8g s ILE 47 CO 0.04 0.29 -0.27 -0.83 0.24 0.00 0.00 174.94 174.42 2f8g s GLY 48 N -1.01 1.46 0.00 6.27 0.00 -1.26 -1.16 107.32 111.62 2f8g s GLY 48 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2f8g s GLY 48 CO 0.01 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.47 2f8g n GLY 49 N 1.50 4.55 0.38 0.20 0.00 -0.14 -4.97 105.19 106.70 2f8g n GLY 49 Ca -0.17 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 44.96 2f8g n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2f8g h VAL 50 N 0.00 0.75 -0.42 1.61 2.07 -2.03 -2.61 116.25 115.62 2f8g h VAL 50 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2f8g h VAL 50 Cb 0.00 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2f8g h VAL 50 CO 0.00 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.31 2f8g n GLY 51 N -1.43 2.75 0.00 2.17 0.00 -1.26 -5.06 105.19 102.36 2f8g n GLY 51 Ca 0.20 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2f8g n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f8g n GLY 52 N 0.71 0.24 3.68 -0.02 0.00 -0.99 -5.08 105.19 103.73 2f8g n GLY 52 Ca 0.14 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 2f8g n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f8g s PHE 53 N 0.00 2.94 0.12 1.61 0.40 -1.26 -0.97 117.98 120.82 2f8g s PHE 53 Ca 0.00 -0.07 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 2f8g s PHE 53 Cb 0.00 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 2f8g s PHE 53 CO 0.00 0.49 -0.21 0.96 0.70 0.00 0.00 175.22 177.16 2f8g s ILE 54 N -1.44 1.77 0.01 0.64 -4.36 -0.31 -4.96 121.20 112.54 2f8g s ILE 54 Ca 0.26 -1.63 -0.22 0.00 -0.26 0.00 0.00 60.65 58.80 2f8g s ILE 54 Cb -0.11 -1.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.91 2f8g s ILE 54 CO 0.18 -0.11 0.65 -0.75 0.24 0.00 0.00 174.94 175.16 2f8g s LYS 55 N -2.10 4.38 0.21 0.37 2.20 -1.26 -1.42 119.74 122.12 2f8g s LYS 55 Ca 0.09 0.84 0.03 0.00 -0.36 0.00 0.00 55.97 56.57 2f8g s LYS 55 Cb -0.09 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2f8g s LYS 55 CO 0.05 0.32 0.00 0.14 -0.36 0.00 0.00 175.35 175.50 2f8g s VAL 56 N -0.08 0.88 -0.20 4.02 -7.23 0.32 -4.43 120.40 113.69 2f8g s VAL 56 Ca 0.34 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.40 2f8g s VAL 56 Cb -0.19 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2f8g s VAL 56 CO 0.19 -0.36 0.12 -0.13 -0.31 0.00 0.00 175.10 174.61 2f8g s ARG 57 N -3.89 4.13 -0.34 4.82 0.52 0.23 -1.62 118.95 122.80 2f8g s ARG 57 Ca 0.27 -0.25 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 2f8g s ARG 57 Cb 0.06 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2f8g s ARG 57 CO 0.07 0.26 0.23 -1.14 0.02 0.00 0.00 175.30 174.75 2f8g s GLN 58 N 0.45 3.41 -0.18 3.54 0.74 0.36 -0.93 119.66 127.05 2f8g s GLN 58 Ca 0.07 -0.70 -0.05 0.00 0.05 0.00 0.00 55.36 54.73 2f8g s GLN 58 Cb -0.12 -3.79 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2f8g s GLN 58 CO -0.01 -0.47 0.00 0.71 -0.55 0.00 0.00 175.29 174.97 2f8g s TYR 59 N 1.70 3.08 0.25 1.67 1.51 -0.39 -1.79 117.35 123.38 2f8g s TYR 59 Ca 0.06 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2f8g s TYR 59 Cb -0.18 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 2f8g s TYR 59 CO 0.10 -0.06 0.37 -0.51 -1.11 0.00 0.00 175.55 174.34 2f8g s ASP 60 N 0.60 6.32 -1.25 2.29 1.01 -1.26 -0.98 116.67 123.40 2f8g s ASP 60 Ca -0.00 0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 2f8g s ASP 60 Cb -0.14 -1.86 -0.00 0.00 1.01 0.00 0.00 42.92 41.93 2f8g s ASP 60 CO 0.02 -0.08 0.83 0.00 0.21 0.00 0.00 175.17 176.14 2f8g n GLN 61 N -1.43 -5.26 -4.12 8.23 6.02 -1.16 -4.91 117.38 114.75 2f8g n GLN 61 Ca -0.09 0.72 -0.35 0.00 -0.01 0.00 0.00 57.00 57.27 2f8g n GLN 61 Cb 0.57 -5.44 -0.10 0.00 1.02 0.00 0.00 30.24 26.29 2f8g n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2f8g s ILE 62 N -3.53 4.64 -0.03 5.09 -1.09 -0.07 -4.83 121.20 121.37 2f8g s ILE 62 Ca 0.04 -0.10 -0.19 0.00 -2.23 0.00 0.00 60.65 58.17 2f8g s ILE 62 Cb -0.01 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 2f8g s ILE 62 CO 0.78 0.51 0.55 -0.63 -1.23 0.00 0.00 174.94 174.91 2f8g s ILE 63 N -0.03 5.00 0.01 2.92 1.01 -1.26 -1.47 121.20 127.38 2f8g s ILE 63 Ca 0.05 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.87 2f8g s ILE 63 Cb -0.12 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 2f8g s ILE 63 CO 0.01 0.41 -0.12 -0.63 0.00 0.00 0.00 174.94 174.61 2f8g s ILE 64 N -0.07 0.94 -0.23 2.92 1.01 -0.31 -4.50 121.20 120.96 2f8g s ILE 64 Ca 0.29 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 2f8g s ILE 64 Cb -0.17 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 2f8g s ILE 64 CO 0.15 0.11 0.08 -0.70 0.00 0.00 0.00 174.94 174.58 2f8g s GLU 65 N -0.68 3.78 -0.26 2.79 2.12 -0.50 -0.67 118.70 125.30 2f8g s GLU 65 Ca 0.02 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 54.96 2f8g s GLU 65 Cb -0.06 -3.32 0.06 0.00 0.26 0.00 0.00 34.13 31.06 2f8g s GLU 65 CO 0.00 -0.04 -0.11 0.42 -0.54 0.00 0.00 175.26 174.98 2f8g s ILE 66 N 1.25 2.16 -1.65 -3.70 1.01 0.46 -0.91 121.20 119.83 2f8g s ILE 66 Ca 0.05 -1.61 -0.11 0.00 0.00 0.00 0.00 60.65 58.98 2f8g s ILE 66 Cb -0.14 -2.26 0.11 0.00 0.01 0.00 0.00 42.46 40.17 2f8g s ILE 66 CO 0.04 -0.00 0.46 0.00 0.00 0.00 0.00 174.94 175.44 2f8g n ALA 67 N 4.44 -1.59 -0.49 9.38 0.00 -0.51 -1.13 120.51 130.61 2f8g n ALA 67 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2f8g n ALA 67 Cb 0.42 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2f8g n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f8g n GLY 68 N -1.74 0.74 3.23 0.00 0.00 -1.26 -5.04 105.19 101.12 2f8g n GLY 68 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2f8g n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f8g s HIS 69 N -2.94 2.79 0.29 1.61 4.02 -0.28 -5.10 115.29 115.68 2f8g s HIS 69 Ca 0.00 -1.17 -0.24 0.00 1.02 0.00 0.00 55.06 54.67 2f8g s HIS 69 Cb 0.00 -1.91 -0.09 0.00 -1.02 0.00 0.00 32.58 29.56 2f8g s HIS 69 CO 0.00 -0.56 0.87 0.21 1.02 0.00 0.00 174.74 176.28 2f8g s LYS 70 N 0.97 4.48 0.10 1.40 2.20 -1.26 -0.40 119.74 127.22 2f8g s LYS 70 Ca -0.03 1.18 -0.12 0.00 -0.36 0.00 0.00 55.97 56.65 2f8g s LYS 70 Cb -0.15 -2.83 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2f8g s LYS 70 CO -0.03 0.32 0.27 0.00 -0.36 0.00 0.00 175.35 175.55 2f8g s ALA 71 N -1.58 -0.50 0.02 3.13 0.00 0.16 -4.80 121.76 118.19 2f8g s ALA 71 Ca 0.48 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.10 2f8g s ALA 71 Cb -0.18 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 2f8g s ALA 71 CO 0.23 -0.55 -0.14 -1.50 0.00 0.00 0.00 175.76 173.80 2f8g s ILE 72 N -3.78 1.09 -1.40 0.00 2.07 -1.26 -1.16 121.20 116.74 2f8g s ILE 72 Ca 0.04 -0.86 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 2f8g s ILE 72 Cb 0.04 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2f8g s ILE 72 CO -0.11 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2f8g n GLY 73 N 2.17 -0.74 3.75 1.50 0.00 -0.55 -4.92 105.19 106.40 2f8g n GLY 73 Ca -0.17 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 2f8g n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f8g s THR 74 N -3.00 4.46 -0.10 2.61 2.01 -1.26 -0.89 115.64 119.47 2f8g s THR 74 Ca 0.00 1.85 0.02 0.00 0.31 0.00 0.00 61.69 63.87 2f8g s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2f8g s THR 74 CO 0.00 0.42 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.49 2f8g s VAL 75 N -0.52 1.53 -0.08 3.82 1.01 -0.15 -4.46 120.40 121.55 2f8g s VAL 75 Ca 0.41 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 2f8g s VAL 75 Cb -0.23 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 2f8g s VAL 75 CO 0.27 0.45 0.34 -0.76 0.00 0.00 0.00 175.10 175.40 2f8g s LEU 76 N 0.77 4.38 -0.12 3.92 1.43 -0.27 -1.27 118.68 127.52 2f8g s LEU 76 Ca -0.11 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2f8g s LEU 76 Cb -0.16 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2f8g s LEU 76 CO 0.02 0.24 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 2f8g s VAL 77 N -0.45 1.62 -0.93 -1.59 1.01 -0.10 -0.62 120.40 119.34 2f8g s VAL 77 Ca 0.21 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2f8g s VAL 77 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2f8g s VAL 77 CO 0.09 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2f8g n GLY 78 N 4.21 -1.15 2.29 4.51 0.00 -0.57 -0.60 105.19 113.88 2f8g n GLY 78 Ca -0.19 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2f8g n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f8g n PRO 79 N 0.00 3.54 -2.70 1.61 -0.04 -1.26 -3.42 135.00 132.72 2f8g n PRO 79 Ca 0.00 -2.19 -0.38 0.00 -0.04 0.00 0.00 63.50 60.89 2f8g n PRO 79 Cb 0.00 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 30.76 2f8g n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2f8g s THR 80 N 1.44 4.02 -0.34 0.52 -1.32 -1.26 -4.96 115.64 113.74 2f8g s THR 80 Ca 0.67 1.78 0.27 0.00 -1.21 0.00 0.00 61.69 63.20 2f8g s THR 80 Cb 0.21 -4.03 0.31 0.00 -1.51 0.00 0.00 72.50 67.47 2f8g s THR 80 CO -0.06 0.23 1.79 1.55 -2.21 0.00 0.00 174.62 175.93 2f8g h PRO 81 N 3.38 0.00 -3.42 7.08 0.13 -1.98 -3.43 132.00 133.75 2f8g h PRO 81 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 2f8g h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2f8g h PRO 81 CO 0.66 0.00 -0.53 0.08 -0.23 0.00 0.00 178.00 177.98 2f8g s VAL 82 N -3.38 0.03 0.03 1.56 1.01 -1.26 -5.10 120.40 113.29 2f8g s VAL 82 Ca 0.05 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2f8g s VAL 82 Cb 0.09 -0.28 -0.06 0.00 0.00 0.00 0.00 36.38 36.13 2f8g s VAL 82 CO 0.49 -0.12 1.34 0.20 0.00 0.00 0.00 175.10 177.01 2f8g s ASN 83 N -0.39 6.91 -0.09 3.32 0.01 -1.26 -4.75 114.94 118.68 2f8g s ASN 83 Ca -0.05 2.11 0.02 0.00 -0.71 0.00 0.00 52.86 54.24 2f8g s ASN 83 Cb -0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2f8g s ASN 83 CO 0.01 -0.65 -0.16 0.27 -1.51 0.00 0.00 177.10 175.06 2f8g s ILE 84 N 1.85 1.52 -0.39 0.60 -4.36 0.20 -0.65 121.20 119.97 2f8g s ILE 84 Ca 0.62 -0.68 -0.19 0.00 -0.26 0.00 0.00 60.65 60.14 2f8g s ILE 84 Cb -0.32 -1.36 0.01 0.00 1.25 0.00 0.00 42.46 42.04 2f8g s ILE 84 CO 0.27 0.44 0.56 -0.63 0.24 0.00 0.00 174.94 175.82 2f8g s ILE 85 N 0.75 4.95 0.57 8.37 -1.09 -0.08 -1.31 121.20 133.35 2f8g s ILE 85 Ca -0.12 0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 2f8g s ILE 85 Cb -0.16 -4.07 0.11 0.00 -1.58 0.00 0.00 42.46 36.76 2f8g s ILE 85 CO 0.02 -0.38 0.78 0.61 -1.23 0.00 0.00 174.94 174.75 2f8g n GLY 86 N 4.90 1.16 0.27 6.18 0.00 -1.24 -1.18 105.19 115.28 2f8g n GLY 86 Ca -0.04 -2.09 0.07 0.00 0.00 0.00 0.00 46.02 43.96 2f8g n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f8g h ARG 87 N 0.00 0.10 -0.10 1.61 3.08 -0.68 -0.96 114.38 117.43 2f8g h ARG 87 Ca -0.26 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.81 2f8g h ARG 87 Cb 1.04 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2f8g h ARG 87 CO 0.31 0.08 0.07 -2.95 -1.07 0.00 0.00 179.97 176.41 2f8g h ASN 88 N 0.10 0.00 0.00 7.04 -0.00 -1.74 -1.83 115.58 119.14 2f8g h ASN 88 Ca 0.03 -0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.04 2f8g h ASN 88 Cb 0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.28 2f8g h ASN 88 CO -0.00 0.00 -2.12 0.18 -0.00 0.00 0.00 177.43 175.48 2f8g n LEU 89 N -4.51 0.00 -0.31 6.14 4.77 -0.73 -4.46 117.00 117.90 2f8g n LEU 89 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2f8g n LEU 89 Cb 0.18 0.39 0.28 0.00 -2.33 0.00 0.00 43.42 41.94 2f8g n LEU 89 CO 0.35 0.39 1.24 -0.07 -1.33 0.00 0.00 177.39 177.96 2f8g h LEU 90 N 0.00 0.85 -1.11 2.23 3.38 -0.94 -1.69 115.31 118.03 2f8g h LEU 90 Ca -0.43 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2f8g h LEU 90 Cb 1.97 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 2f8g h LEU 90 CO 0.02 0.48 0.41 0.71 0.09 0.00 0.00 178.44 180.16 2f8g h THR 91 N 0.93 1.22 0.00 0.22 1.35 -1.56 -2.05 112.91 113.01 2f8g h THR 91 Ca 0.44 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 65.69 2f8g h THR 91 Cb 0.44 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 2f8g h THR 91 CO -0.20 0.24 -0.34 1.56 -0.25 0.00 0.00 175.52 176.53 2f8g h GLN 92 N 1.04 0.00 -0.32 4.72 1.08 -1.53 -1.68 115.11 118.42 2f8g h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2f8g h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2f8g h GLN 92 CO -0.04 0.34 0.00 0.44 -0.95 0.00 0.00 178.83 178.61 2f8g n ILE 93 N -3.64 0.42 -2.17 2.54 -5.35 -1.06 -4.95 119.36 105.15 2f8g n ILE 93 Ca -0.01 -0.56 -0.06 0.00 -0.27 0.00 0.00 62.75 61.85 2f8g n ILE 93 Cb 0.45 0.56 -0.00 0.00 -1.74 0.00 0.00 39.64 38.91 2f8g n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f8g n GLY 94 N 1.29 0.14 3.74 3.28 0.00 -0.63 -5.00 105.19 108.00 2f8g n GLY 94 Ca 0.17 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2f8g n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f8g s ALA 95 N -2.38 3.38 0.09 4.61 0.00 -0.80 -5.04 121.76 121.63 2f8g s ALA 95 Ca 0.01 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.84 2f8g s ALA 95 Cb -0.01 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2f8g s ALA 95 CO 0.02 -0.22 -0.09 0.95 0.00 0.00 0.00 175.76 176.42 2f8g s THR 96 N -0.30 0.84 -0.16 0.00 -4.23 -1.26 -4.72 115.64 105.82 2f8g s THR 96 Ca 0.49 -1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 59.23 2f8g s THR 96 Cb -0.30 -1.34 -0.05 0.00 1.34 0.00 0.00 72.50 72.15 2f8g s THR 96 CO 0.35 -0.61 0.29 -0.22 -0.54 0.00 0.00 174.62 173.90 2f8g s LEU 97 N -2.48 4.25 -0.03 4.79 2.96 -1.26 -5.09 118.68 121.82 2f8g s LEU 97 Ca 0.05 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2f8g s LEU 97 Cb -0.02 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 44.30 2f8g s LEU 97 CO -0.01 0.11 -0.09 0.20 -1.32 0.00 0.00 176.35 175.24 2f8g s ASN 98 N 0.42 1.17 0.00 3.68 0.01 -1.26 -5.30 114.94 113.67 2f8g s ASN 98 Ca 0.17 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 2f8g s ASN 98 Cb -0.13 -0.34 0.00 0.00 0.41 0.00 0.00 41.25 41.19 2f8g s ASN 98 CO 0.04 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.90