#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ody s GLN 2 N 0.00 3.47 -0.22 0.54 0.74 -1.26 -5.08 119.66 117.85 1ody s GLN 2 Ca 0.00 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.77 1ody s GLN 2 Cb 0.00 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 31.03 1ody s GLN 2 CO 0.00 -0.14 0.01 0.08 -0.55 0.00 0.00 175.29 174.69 1ody s VAL 3 N 1.36 3.86 0.27 1.34 1.01 -1.26 -5.11 120.40 121.88 1ody s VAL 3 Ca 0.04 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1ody s VAL 3 Cb -0.14 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1ody s VAL 3 CO -0.01 0.40 0.38 0.42 0.00 0.00 0.00 175.10 176.30 1ody s THR 4 N 1.33 4.85 -0.28 3.92 -4.23 -1.26 -5.06 115.64 114.91 1ody s THR 4 Ca 0.04 -1.01 0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1ody s THR 4 Cb -0.15 -3.70 0.64 0.00 1.34 0.00 0.00 72.50 70.64 1ody s THR 4 CO 0.01 -0.28 1.64 0.18 -0.54 0.00 0.00 174.62 175.63 1ody n LEU 5 N -1.47 5.13 -0.19 4.79 4.77 -1.26 -4.49 117.00 124.28 1ody n LEU 5 Ca -0.06 -3.29 -0.01 0.00 -0.03 0.00 0.00 56.01 52.62 1ody n LEU 5 Cb 0.57 -0.67 0.23 0.00 -2.33 0.00 0.00 43.42 41.22 1ody n LEU 5 CO 0.44 0.87 1.15 -0.50 -1.33 0.00 0.00 177.39 178.02 1ody h TRP 6 N 2.05 0.92 -1.75 -1.77 4.06 -2.06 -3.43 115.95 113.98 1ody h TRP 6 Ca 0.20 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.52 1ody h TRP 6 Cb 1.98 -0.30 -0.12 0.00 -1.00 0.00 0.00 29.16 29.72 1ody h TRP 6 CO 1.03 0.64 -0.61 -0.65 -3.56 0.00 0.00 178.44 175.30 1ody s GLN 7 N -5.63 1.98 0.28 0.49 -0.21 -1.26 -5.10 119.66 110.20 1ody s GLN 7 Ca -0.11 -1.98 -0.30 0.00 0.02 0.00 0.00 55.36 52.99 1ody s GLN 7 Cb 0.17 -1.74 -0.12 0.00 1.00 0.00 0.00 33.01 32.32 1ody s GLN 7 CO 0.79 0.01 1.54 0.54 -2.12 0.00 0.00 175.29 176.05 1ody n ARG 8 N -0.96 2.50 -2.59 2.91 1.74 -1.26 -4.87 116.66 114.12 1ody n ARG 8 Ca -0.04 0.89 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 1ody n ARG 8 Cb 0.65 -2.63 -0.01 0.00 -1.02 0.00 0.00 32.46 29.45 1ody n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ody s PRO 9 N -0.44 3.88 0.02 5.56 0.04 -1.26 -4.96 135.00 137.84 1ody s PRO 9 Ca 0.65 -1.79 -0.05 0.00 0.04 0.00 0.00 61.00 59.86 1ody s PRO 9 Cb -0.54 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.48 1ody s PRO 9 CO 0.49 -2.22 0.25 -0.51 0.04 0.00 0.00 177.00 175.04 1ody s LEU 10 N 4.30 4.36 0.03 -3.56 1.43 -1.26 -0.84 118.68 123.15 1ody s LEU 10 Ca 0.51 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1ody s LEU 10 Cb 0.03 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1ody s LEU 10 CO 0.03 0.23 0.15 0.54 0.23 0.00 0.00 176.35 177.52 1ody s VAL 11 N -1.36 0.11 -0.19 -1.59 0.11 -0.25 -4.96 120.40 112.28 1ody s VAL 11 Ca 0.29 -0.94 -0.21 0.00 -2.93 0.00 0.00 61.98 58.19 1ody s VAL 11 Cb -0.13 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1ody s VAL 11 CO 0.19 -0.52 0.65 -0.89 -3.33 0.00 0.00 175.10 171.20 1ody s THR 12 N -2.37 5.01 0.14 5.04 2.01 -1.26 -1.19 115.64 123.02 1ody s THR 12 Ca -0.07 1.24 0.10 0.00 0.31 0.00 0.00 61.69 63.27 1ody s THR 12 Cb -0.02 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1ody s THR 12 CO -0.03 0.11 -0.18 0.27 -0.69 0.00 0.00 174.62 174.10 1ody s ILE 13 N 1.87 2.78 -0.15 1.82 -4.36 -0.54 -1.23 121.20 121.39 1ody s ILE 13 Ca 0.30 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.05 1ody s ILE 13 Cb -0.16 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.28 1ody s ILE 13 CO 0.11 0.02 -0.12 -0.75 0.24 0.00 0.00 174.94 174.44 1ody s LYS 14 N -2.35 2.05 -0.10 0.37 2.20 -0.46 -1.07 119.74 120.37 1ody s LYS 14 Ca 0.19 -0.53 -0.07 0.00 -0.36 0.00 0.00 55.97 55.20 1ody s LYS 14 Cb -0.10 -2.03 0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1ody s LYS 14 CO 0.11 -0.28 0.26 0.42 -0.36 0.00 0.00 175.35 175.49 1ody s ILE 15 N 1.53 -0.02 -1.54 5.43 1.09 -0.63 -0.87 121.20 126.18 1ody s ILE 15 Ca 0.04 0.08 -0.10 0.00 -1.10 0.00 0.00 60.65 59.57 1ody s ILE 15 Cb -0.13 -0.38 0.08 0.00 -1.06 0.00 0.00 42.46 40.97 1ody s ILE 15 CO -0.10 0.03 0.71 0.61 -0.10 0.00 0.00 174.94 176.10 1ody n GLY 16 N 3.68 -0.38 3.52 6.18 0.00 -1.26 -0.91 105.19 116.02 1ody n GLY 16 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ody n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ody n GLY 17 N -1.66 2.64 3.69 -0.02 0.00 -1.26 -4.98 105.19 103.60 1ody n GLY 17 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1ody n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ody s GLN 18 N 0.00 2.64 -0.17 1.61 -0.21 -0.09 -5.11 119.66 118.33 1ody s GLN 18 Ca 0.00 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.51 1ody s GLN 18 Cb 0.00 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 1ody s GLN 18 CO 0.00 0.57 0.22 -0.51 -2.12 0.00 0.00 175.29 173.46 1ody s LEU 19 N -2.02 4.24 0.30 2.90 1.02 -1.26 -1.60 118.68 122.26 1ody s LEU 19 Ca 0.23 0.40 0.04 0.00 0.02 0.00 0.00 54.13 54.83 1ody s LEU 19 Cb -0.12 -2.25 -0.03 0.00 0.02 0.00 0.00 46.19 43.81 1ody s LEU 19 CO 0.15 0.15 0.27 -0.54 0.02 0.00 0.00 176.35 176.40 1ody s LYS 20 N 0.35 1.66 -0.00 1.70 1.02 -0.24 -5.01 119.74 119.23 1ody s LYS 20 Ca 0.13 -1.90 0.07 0.00 0.02 0.00 0.00 55.97 54.29 1ody s LYS 20 Cb -0.12 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1ody s LYS 20 CO 0.02 -0.61 -0.23 -2.00 -0.92 0.00 0.00 175.35 171.61 1ody s GLU 21 N -3.55 1.76 0.04 1.68 2.12 -1.26 -1.47 118.70 118.01 1ody s GLU 21 Ca 0.39 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 1ody s GLU 21 Cb 0.03 -1.75 -0.02 0.00 0.26 0.00 0.00 34.13 32.65 1ody s GLU 21 CO 0.24 0.47 0.03 0.00 -0.54 0.00 0.00 175.26 175.46 1ody s ALA 22 N -0.60 0.15 -0.16 6.30 0.00 -0.33 -4.47 121.76 122.65 1ody s ALA 22 Ca 0.09 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1ody s ALA 22 Cb -0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1ody s ALA 22 CO -0.00 -0.30 0.50 -1.17 0.00 0.00 0.00 175.76 174.79 1ody s LEU 23 N -2.21 4.21 -0.47 0.00 0.20 -0.28 -1.09 118.68 119.05 1ody s LEU 23 Ca -0.04 0.74 -0.29 0.00 0.69 0.00 0.00 54.13 55.23 1ody s LEU 23 Cb -0.01 -2.70 0.02 0.00 -0.43 0.00 0.00 46.19 43.07 1ody s LEU 23 CO -0.05 -0.09 1.34 -0.76 -0.29 0.00 0.00 176.35 176.49 1ody s LEU 24 N 1.16 3.55 -0.32 -0.68 1.02 -0.02 -0.55 118.68 122.83 1ody s LEU 24 Ca 0.25 0.58 0.04 0.00 0.02 0.00 0.00 54.13 55.01 1ody s LEU 24 Cb -0.15 -3.42 0.09 0.00 0.02 0.00 0.00 46.19 42.73 1ody s LEU 24 CO 0.10 -1.46 0.02 -0.62 0.02 0.00 0.00 176.35 174.41 1ody s ASP 25 N 3.64 4.69 0.27 2.29 2.15 -0.17 -4.81 116.67 124.74 1ody s ASP 25 Ca 0.55 -2.01 0.25 0.00 0.43 0.00 0.00 52.55 51.77 1ody s ASP 25 Cb -0.11 -1.60 0.98 0.00 -0.30 0.00 0.00 42.92 41.89 1ody s ASP 25 CO 0.30 -0.35 1.74 0.71 -0.17 0.00 0.00 175.17 177.41 1ody h THR 26 N 6.64 0.00 -0.07 1.71 1.35 -1.93 -2.39 112.91 118.21 1ody h THR 26 Ca -0.07 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1ody h THR 26 Cb 1.02 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1ody h THR 26 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1ody n GLY 27 N 0.22 -0.11 3.35 5.82 0.00 -1.26 -4.80 105.19 108.41 1ody n GLY 27 Ca 0.03 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1ody n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ody s ALA 28 N -1.92 2.82 0.23 4.61 0.00 -0.90 -4.98 121.76 121.62 1ody s ALA 28 Ca 0.36 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1ody s ALA 28 Cb 0.19 -1.61 0.25 0.00 0.00 0.00 0.00 23.12 21.96 1ody s ALA 28 CO 0.30 -0.22 1.67 -0.44 0.00 0.00 0.00 175.76 177.07 1ody h ASP 29 N 7.66 0.73 -2.13 0.00 3.32 -1.87 0.31 116.42 124.44 1ody h ASP 29 Ca -0.37 -0.24 -0.61 0.00 0.02 0.00 0.00 57.03 55.83 1ody h ASP 29 Cb 1.17 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 1ody h ASP 29 CO 0.60 0.91 -0.72 -1.81 -1.72 0.00 0.00 179.24 176.49 1ody s ASP 30 N -6.74 3.75 -0.24 6.45 1.01 -1.26 -2.03 116.67 117.61 1ody s ASP 30 Ca -0.09 -1.03 -0.17 0.00 0.71 0.00 0.00 52.55 51.97 1ody s ASP 30 Cb 0.13 -0.38 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1ody s ASP 30 CO 0.82 -0.03 0.48 -0.89 0.21 0.00 0.00 175.17 175.76 1ody s THR 31 N -2.51 5.11 -0.10 -1.27 2.01 -1.26 -3.48 115.64 114.14 1ody s THR 31 Ca 0.31 0.82 0.00 0.00 0.31 0.00 0.00 61.69 63.14 1ody s THR 31 Cb -0.03 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1ody s THR 31 CO 0.16 0.14 -0.09 0.54 -0.69 0.00 0.00 174.62 174.68 1ody s VAL 32 N 2.00 1.04 0.21 3.82 0.11 -0.76 -1.28 120.40 125.54 1ody s VAL 32 Ca 0.20 -0.34 0.10 0.00 -2.93 0.00 0.00 61.98 59.02 1ody s VAL 32 Cb -0.15 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1ody s VAL 32 CO 0.09 0.36 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.31 1ody s LEU 33 N 1.36 2.76 0.83 2.54 1.43 0.68 -0.15 118.68 128.13 1ody s LEU 33 Ca -0.02 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 1ody s LEU 33 Cb -0.14 -1.41 0.06 0.00 0.03 0.00 0.00 46.19 44.73 1ody s LEU 33 CO -0.04 0.09 0.95 -1.84 0.23 0.00 0.00 176.35 175.74 1ody n GLU 34 N -0.11 0.06 -1.66 1.70 0.28 -1.26 -1.54 120.64 118.11 1ody n GLU 34 Ca -0.10 0.09 -0.45 0.00 -0.16 0.00 0.00 57.16 56.54 1ody n GLU 34 Cb 0.57 -2.23 -0.03 0.00 1.43 0.00 0.00 31.44 31.18 1ody n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ody n GLU 35 N -2.69 1.96 -3.52 3.44 -0.58 -1.24 -4.48 120.64 113.53 1ody n GLU 35 Ca 0.12 0.70 -0.12 0.00 -0.42 0.00 0.00 57.16 57.43 1ody n GLU 35 Cb 0.51 -2.34 -0.04 0.00 -0.57 0.00 0.00 31.44 29.00 1ody n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ody s MET 36 N -0.40 0.88 -0.48 3.49 0.23 -1.26 -5.02 119.30 116.73 1ody s MET 36 Ca 0.69 -0.06 -0.27 0.00 -1.03 0.00 0.00 55.69 55.02 1ody s MET 36 Cb -0.67 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.01 1ody s MET 36 CO 0.50 -0.33 2.01 -1.12 -2.03 0.00 0.00 175.02 174.05 1ody s SER 37 N -1.79 5.23 -0.26 -1.18 0.01 -1.26 -4.96 113.70 109.49 1ody s SER 37 Ca -0.01 0.87 -0.02 0.00 1.31 0.00 0.00 55.95 58.10 1ody s SER 37 Cb -0.01 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1ody s SER 37 CO -0.02 -2.31 -0.04 -0.22 0.41 0.00 0.00 173.24 171.06 1ody s LEU 38 N 9.25 3.33 -0.47 2.44 2.96 -1.26 -4.98 118.68 129.95 1ody s LEU 38 Ca 0.80 -0.91 -0.42 0.00 -0.22 0.00 0.00 54.13 53.38 1ody s LEU 38 Cb -0.18 -1.69 -0.17 0.00 0.50 0.00 0.00 46.19 44.65 1ody s LEU 38 CO 0.26 -0.15 2.13 -0.81 -1.32 0.00 0.00 176.35 176.46 1ody n PRO 39 N 4.68 0.23 0.00 0.98 -0.04 -1.26 -4.75 135.00 134.83 1ody n PRO 39 Ca -0.16 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1ody n PRO 39 Cb 0.47 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 1ody n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ody n GLY 40 N 7.17 0.86 3.62 0.55 0.00 -1.26 -5.11 105.19 111.01 1ody n GLY 40 Ca 0.51 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 1ody n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ody s ALA 41 N -1.19 3.07 0.04 4.61 0.00 -1.26 -5.16 121.76 121.88 1ody s ALA 41 Ca 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.51 1ody s ALA 41 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1ody s ALA 41 CO 0.00 0.59 0.36 1.67 0.00 0.00 0.00 175.76 178.38 1ody s TRP 42 N -1.43 -0.20 0.10 0.00 1.48 -1.26 -4.75 118.94 112.87 1ody s TRP 42 Ca 0.24 0.14 -0.02 0.00 -1.06 0.00 0.00 56.10 55.40 1ody s TRP 42 Cb -0.10 0.16 -0.05 0.00 -1.16 0.00 0.00 33.47 32.32 1ody s TRP 42 CO 0.16 -0.53 0.29 -1.59 -4.06 0.00 0.00 176.95 171.23 1ody s LYS 43 N -2.38 3.53 0.49 3.25 -2.85 -0.93 -4.90 119.74 115.95 1ody s LYS 43 Ca -0.06 -0.27 -0.10 0.00 -1.00 0.00 0.00 55.97 54.54 1ody s LYS 43 Cb -0.01 -2.94 -0.05 0.00 -2.06 0.00 0.00 37.83 32.76 1ody s LYS 43 CO -0.02 0.54 0.86 -1.25 0.10 0.00 0.00 175.35 175.58 1ody s PRO 44 N -2.60 3.69 0.15 1.78 0.04 -1.26 -1.37 135.00 135.43 1ody s PRO 44 Ca 0.38 0.52 -0.23 0.00 0.04 0.00 0.00 61.00 61.70 1ody s PRO 44 Cb -0.13 -2.28 0.07 0.00 0.04 0.00 0.00 34.50 32.20 1ody s PRO 44 CO 0.26 -0.24 0.63 0.21 0.04 0.00 0.00 177.00 177.90 1ody s LYS 45 N -4.45 1.27 -0.01 4.56 2.20 -0.94 -4.83 119.74 117.54 1ody s LYS 45 Ca 0.52 -0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1ody s LYS 45 Cb -0.10 0.57 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 1ody s LYS 45 CO 0.41 -0.56 0.00 0.00 -0.36 0.00 0.00 175.35 174.84 1ody s MET 46 N -3.71 0.05 0.20 4.03 0.00 -1.26 -1.34 119.30 117.27 1ody s MET 46 Ca 0.02 0.02 0.11 0.00 0.00 0.00 0.00 55.69 55.84 1ody s MET 46 Cb -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 34.83 34.66 1ody s MET 46 CO -0.12 -0.03 -0.23 0.96 0.00 0.00 0.00 175.02 175.60 1ody s ILE 47 N 0.24 2.33 -0.11 3.16 -4.36 -0.95 -4.95 121.20 116.55 1ody s ILE 47 Ca -0.02 -2.07 -0.04 0.00 -0.26 0.00 0.00 60.65 58.26 1ody s ILE 47 Cb -0.03 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 1ody s ILE 47 CO -0.01 -0.17 0.03 -0.83 0.24 0.00 0.00 174.94 174.20 1ody s GLY 48 N -2.77 1.89 0.00 6.27 0.00 -1.26 -1.36 107.32 110.09 1ody s GLY 48 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1ody s GLY 48 CO 0.10 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1ody n GLY 49 N 2.48 6.23 0.09 0.20 0.00 0.65 -5.01 105.19 109.83 1ody n GLY 49 Ca -0.18 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1ody n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ody h ILE 50 N 0.32 1.19 0.00 -0.61 6.09 -1.98 -3.27 117.51 119.25 1ody h ILE 50 Ca 0.00 -1.52 0.00 0.00 -1.37 0.00 0.00 64.86 61.97 1ody h ILE 50 Cb 0.00 2.10 0.00 0.00 0.47 0.00 0.00 36.82 39.39 1ody h ILE 50 CO 0.00 0.34 0.00 0.61 -3.07 0.00 0.00 178.15 176.03 1ody n GLY 51 N 0.96 -0.61 0.00 8.18 0.00 -1.26 -4.97 105.19 107.49 1ody n GLY 51 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1ody n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ody n GLY 52 N -0.23 0.43 0.00 -0.02 0.00 -1.24 -5.11 105.19 99.02 1ody n GLY 52 Ca 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1ody n GLY 52 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ody n PHE 53 N 0.00 -1.22 -3.56 1.61 1.16 -1.26 -0.25 117.46 113.94 1ody n PHE 53 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 1ody n PHE 53 Cb 0.00 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.83 1ody n PHE 53 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 1ody s ILE 54 N 1.25 0.00 -0.24 1.97 -4.36 -0.46 -4.77 121.20 114.59 1ody s ILE 54 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.32 1ody s ILE 54 Cb 0.00 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1ody s ILE 54 CO 0.00 0.00 0.04 -0.54 0.24 0.00 0.00 174.94 174.68 1ody s LYS 55 N -1.87 3.58 0.13 0.37 3.01 -1.26 -2.24 119.74 121.46 1ody s LYS 55 Ca 0.02 -0.52 0.04 0.00 -1.01 0.00 0.00 55.97 54.50 1ody s LYS 55 Cb -0.01 -3.25 -0.04 0.00 -1.01 0.00 0.00 37.83 33.52 1ody s LYS 55 CO -0.02 -0.20 -0.11 0.14 0.51 0.00 0.00 175.35 175.67 1ody s VAL 56 N 1.58 1.14 -0.27 3.17 -7.23 -0.45 -4.58 120.40 113.76 1ody s VAL 56 Ca 0.06 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1ody s VAL 56 Cb -0.15 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1ody s VAL 56 CO 0.02 -0.66 0.20 0.00 -0.31 0.00 0.00 175.10 174.35 1ody s ARG 57 N -3.38 3.99 -0.25 4.82 1.70 -0.71 -2.21 118.95 122.91 1ody s ARG 57 Ca 0.13 -0.27 -0.15 0.00 -0.47 0.00 0.00 55.73 54.97 1ody s ARG 57 Cb 0.00 -3.62 -0.04 0.00 -0.57 0.00 0.00 34.95 30.72 1ody s ARG 57 CO 0.01 -0.11 0.37 -1.14 -1.08 0.00 0.00 175.30 173.35 1ody s GLN 58 N 1.57 4.05 -0.11 3.89 0.74 -0.47 -1.51 119.66 127.83 1ody s GLN 58 Ca 0.08 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.57 1ody s GLN 58 Cb -0.15 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1ody s GLN 58 CO 0.09 -0.22 -0.13 0.71 -0.55 0.00 0.00 175.29 175.20 1ody s TYR 59 N 1.89 2.80 0.17 1.67 1.51 -0.55 -2.18 117.35 122.66 1ody s TYR 59 Ca 0.16 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1ody s TYR 59 Cb -0.15 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1ody s TYR 59 CO 0.09 -0.09 0.12 -0.51 -1.11 0.00 0.00 175.55 174.05 1ody s ASP 60 N 0.05 5.43 -1.27 2.29 1.01 -1.26 -0.43 116.67 122.49 1ody s ASP 60 Ca -0.05 -0.16 -0.04 0.00 0.71 0.00 0.00 52.55 53.01 1ody s ASP 60 Cb -0.14 -1.39 0.00 0.00 1.01 0.00 0.00 42.92 42.40 1ody s ASP 60 CO 0.04 0.07 1.09 0.00 0.21 0.00 0.00 175.17 176.58 1ody n GLN 61 N -0.33 -7.27 -3.49 8.23 6.02 -1.15 -4.93 117.38 114.45 1ody n GLN 61 Ca -0.08 0.84 -0.37 0.00 -0.01 0.00 0.00 57.00 57.38 1ody n GLN 61 Cb 0.55 -5.86 -0.07 0.00 1.02 0.00 0.00 30.24 25.87 1ody n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ody s ILE 62 N -3.34 5.28 0.08 5.09 -1.09 -0.58 -4.83 121.20 121.81 1ody s ILE 62 Ca 0.29 0.62 -0.26 0.00 -2.23 0.00 0.00 60.65 59.06 1ody s ILE 62 Cb -0.13 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 37.03 1ody s ILE 62 CO 0.73 0.37 0.82 -0.22 -1.23 0.00 0.00 174.94 175.40 1ody s LEU 63 N 0.56 4.48 -0.01 2.97 2.96 -1.26 -2.15 118.68 126.22 1ody s LEU 63 Ca 0.18 1.56 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 1ody s LEU 63 Cb -0.13 -3.33 -0.00 0.00 0.50 0.00 0.00 46.19 43.23 1ody s LEU 63 CO 0.05 0.02 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.40 1ody s ILE 64 N -0.17 0.55 -0.23 6.68 1.01 -0.84 -4.45 121.20 123.75 1ody s ILE 64 Ca 0.40 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 1ody s ILE 64 Cb -0.22 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1ody s ILE 64 CO 0.25 0.17 -0.01 -1.61 0.00 0.00 0.00 174.94 173.74 1ody s GLU 65 N -0.03 3.44 -0.25 2.79 2.02 -0.05 -1.26 118.70 125.37 1ody s GLU 65 Ca 0.01 -0.59 -0.02 0.00 0.02 0.00 0.00 54.97 54.38 1ody s GLU 65 Cb -0.04 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.10 1ody s GLU 65 CO -0.00 -0.20 -0.05 0.42 0.02 0.00 0.00 175.26 175.45 1ody s ILE 66 N 1.52 3.05 -1.23 -1.63 1.01 0.89 -1.36 121.20 123.45 1ody s ILE 66 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 1ody s ILE 66 Cb -0.15 -2.51 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1ody s ILE 66 CO -0.01 0.24 0.44 0.00 0.00 0.00 0.00 174.94 175.61 1ody n GLY 68 N -1.10 0.75 3.40 0.00 0.00 -1.26 -5.04 105.19 101.93 1ody n GLY 68 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ody n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ody s HIS 69 N -2.60 2.69 0.11 1.61 4.02 -0.07 -5.10 115.29 115.95 1ody s HIS 69 Ca 0.00 -0.45 -0.12 0.00 1.02 0.00 0.00 55.06 55.51 1ody s HIS 69 Cb 0.00 -1.70 -0.06 0.00 -1.02 0.00 0.00 32.58 29.79 1ody s HIS 69 CO 0.00 -0.04 0.47 0.15 1.02 0.00 0.00 174.74 176.33 1ody s LYS 70 N -0.22 3.85 0.01 1.40 1.02 -1.26 -0.08 119.74 124.47 1ody s LYS 70 Ca 0.00 0.31 -0.18 0.00 0.02 0.00 0.00 55.97 56.12 1ody s LYS 70 Cb -0.13 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1ody s LYS 70 CO 0.03 0.52 0.40 0.00 -0.92 0.00 0.00 175.35 175.38 1ody s ALA 71 N -1.43 -0.98 -0.09 5.17 0.00 -0.39 -4.89 121.76 119.15 1ody s ALA 71 Ca 0.35 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1ody s ALA 71 Cb -0.14 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1ody s ALA 71 CO 0.19 -0.37 -0.13 0.42 0.00 0.00 0.00 175.76 175.86 1ody s ILE 72 N -1.90 1.31 0.02 0.00 -1.09 -1.26 -1.99 121.20 116.28 1ody s ILE 72 Ca -0.09 -0.55 -0.04 0.00 -2.23 0.00 0.00 60.65 57.75 1ody s ILE 72 Cb -0.02 -1.20 0.01 0.00 -1.58 0.00 0.00 42.46 39.66 1ody s ILE 72 CO 0.02 0.40 0.16 0.61 -1.23 0.00 0.00 174.94 174.90 1ody n GLY 73 N 4.08 1.01 3.74 6.18 0.00 -0.92 -4.90 105.19 114.39 1ody n GLY 73 Ca -0.20 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1ody n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ody s THR 74 N -2.39 4.25 -0.03 2.61 2.01 -1.26 -1.52 115.64 119.31 1ody s THR 74 Ca 0.04 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1ody s THR 74 Cb -0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1ody s THR 74 CO 0.01 0.37 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.51 1ody s VAL 75 N -0.45 0.92 -0.13 3.82 1.01 0.43 -4.59 120.40 121.42 1ody s VAL 75 Ca 0.45 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1ody s VAL 75 Cb -0.25 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1ody s VAL 75 CO 0.32 0.29 0.06 -0.76 0.00 0.00 0.00 175.10 175.00 1ody s LEU 76 N 0.24 3.86 -0.03 3.92 1.43 -0.40 -1.48 118.68 126.21 1ody s LEU 76 Ca -0.05 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1ody s LEU 76 Cb -0.10 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 1ody s LEU 76 CO 0.01 0.31 -0.23 -0.69 0.23 0.00 0.00 176.35 175.98 1ody s VAL 77 N -0.46 1.87 -5.00 -1.59 1.01 -0.57 -0.23 120.40 115.43 1ody s VAL 77 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1ody s VAL 77 Cb -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1ody s VAL 77 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1ody n GLY 78 N 2.68 -0.72 2.38 4.51 0.00 -0.59 -1.73 105.19 111.72 1ody n GLY 78 Ca -0.16 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1ody n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ody n PRO 79 N 0.00 0.00 -3.92 1.61 -0.04 -1.26 -3.65 135.00 127.74 1ody n PRO 79 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1ody n PRO 79 Cb 0.00 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 1ody n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ody s THR 80 N 1.89 5.34 -0.37 0.52 -1.32 -1.26 -5.01 115.64 115.44 1ody s THR 80 Ca 0.00 -0.55 0.23 0.00 -1.21 0.00 0.00 61.69 60.15 1ody s THR 80 Cb 0.00 -3.70 0.22 0.00 -1.51 0.00 0.00 72.50 67.52 1ody s THR 80 CO 0.00 -0.00 1.43 1.55 -2.21 0.00 0.00 174.62 175.38 1ody h PRO 81 N 2.50 0.00 -3.93 7.08 0.13 -1.97 -3.44 132.00 132.38 1ody h PRO 81 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1ody h PRO 81 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 1ody h PRO 81 CO 0.71 0.01 -0.69 0.08 -0.23 0.00 0.00 178.00 177.89 1ody s VAL 82 N -3.25 0.10 0.13 1.56 1.01 -1.26 -5.08 120.40 113.61 1ody s VAL 82 Ca 0.05 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1ody s VAL 82 Cb 0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.13 1ody s VAL 82 CO 0.71 -0.44 1.16 0.20 0.00 0.00 0.00 175.10 176.72 1ody s ASN 83 N -1.30 7.16 -0.11 3.32 0.01 -1.26 -4.70 114.94 118.05 1ody s ASN 83 Ca -0.14 2.08 0.02 0.00 -0.71 0.00 0.00 52.86 54.11 1ody s ASN 83 Cb -0.09 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1ody s ASN 83 CO -0.01 -0.35 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.44 1ody s ILE 84 N 0.32 1.58 -0.36 0.60 1.01 0.79 -1.12 121.20 124.02 1ody s ILE 84 Ca 0.54 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 60.30 1ody s ILE 84 Cb -0.30 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1ody s ILE 84 CO 0.33 0.46 0.54 -0.63 0.00 0.00 0.00 174.94 175.63 1ody s ILE 85 N 0.84 4.99 0.47 2.92 -1.09 0.28 -1.83 121.20 127.78 1ody s ILE 85 Ca -0.09 0.32 0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1ody s ILE 85 Cb -0.15 -4.00 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1ody s ILE 85 CO 0.00 -0.27 0.64 -0.83 -1.23 0.00 0.00 174.94 173.26 1ody s GLY 86 N 1.78 1.90 0.64 6.18 0.00 -1.23 -1.00 107.32 115.60 1ody s GLY 86 Ca 0.19 -1.60 0.31 0.00 0.00 0.00 0.00 44.72 43.62 1ody s GLY 86 CO 0.14 -1.38 2.00 3.21 0.00 0.00 0.00 173.10 177.07 1ody h ARG 87 N 0.45 0.00 0.00 2.90 3.08 -0.37 -0.92 114.38 119.52 1ody h ARG 87 Ca -0.40 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 1ody h ARG 87 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1ody h ARG 87 CO 0.47 0.00 -0.20 -2.95 -1.07 0.00 0.00 179.97 176.22 1ody h ASN 88 N 0.00 0.00 0.12 7.04 -1.07 -1.66 -2.65 115.58 117.36 1ody h ASN 88 Ca 0.06 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.09 1ody h ASN 88 Cb 0.67 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.85 1ody h ASN 88 CO -0.00 0.20 -2.22 0.18 0.07 0.00 0.00 177.43 175.66 1ody n LEU 89 N -4.22 0.20 0.10 6.14 4.77 -0.46 -4.27 117.00 119.26 1ody n LEU 89 Ca -0.02 0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1ody n LEU 89 Cb 0.26 0.41 0.50 0.00 -2.33 0.00 0.00 43.42 42.27 1ody n LEU 89 CO 0.36 0.46 1.12 -0.07 -1.33 0.00 0.00 177.39 177.93 1ody h LEU 90 N 0.00 0.29 -0.56 2.23 3.38 -1.14 -1.78 115.31 117.73 1ody h LEU 90 Ca -0.47 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 1ody h LEU 90 Cb 2.16 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 1ody h LEU 90 CO 0.04 0.22 -0.65 0.71 0.09 0.00 0.00 178.44 178.85 1ody h THR 91 N 0.34 1.35 0.00 0.22 1.35 -1.65 -1.28 112.91 113.24 1ody h THR 91 Ca 0.09 -2.32 -0.03 0.00 -0.55 0.00 0.00 66.41 63.61 1ody h THR 91 Cb -0.03 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1ody h THR 91 CO -0.02 0.64 -0.13 1.56 -0.25 0.00 0.00 175.52 177.32 1ody h GLN 92 N 0.00 0.00 -0.30 4.72 4.20 -1.51 -2.15 115.11 120.07 1ody h GLN 92 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ody h GLN 92 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1ody h GLN 92 CO 0.08 0.13 0.00 0.44 -0.67 0.00 0.00 178.83 178.82 1ody n ILE 93 N -3.25 0.39 -1.44 2.54 -5.35 -1.09 -4.91 119.36 106.25 1ody n ILE 93 Ca 0.01 -0.54 -0.01 0.00 -0.27 0.00 0.00 62.75 61.94 1ody n ILE 93 Cb 0.41 0.57 -0.00 0.00 -1.74 0.00 0.00 39.64 38.88 1ody n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ody n GLY 94 N 1.28 0.40 3.72 3.28 0.00 -0.81 -5.01 105.19 108.05 1ody n GLY 94 Ca 0.17 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1ody n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ody s THR 96 N 0.65 1.54 -0.09 0.00 -4.23 -1.26 -4.74 115.64 107.51 1ody s THR 96 Ca 0.51 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1ody s THR 96 Cb -0.23 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 1ody s THR 96 CO 0.29 -0.36 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.71 1ody s LEU 97 N -3.39 3.04 -0.02 4.79 2.96 -1.26 -5.11 118.68 119.69 1ody s LEU 97 Ca 0.28 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1ody s LEU 97 Cb 0.03 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1ody s LEU 97 CO 0.10 0.29 -0.07 0.20 -1.32 0.00 0.00 176.35 175.55 1ody s ASN 98 N -0.39 0.95 0.00 3.68 0.01 -1.26 -5.30 114.94 112.63 1ody s ASN 98 Ca 0.05 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 1ody s ASN 98 Cb -0.12 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1ody s ASN 98 CO 0.02 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.89