#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajv s GLN 2 N 0.00 3.27 -0.24 0.54 0.74 -1.26 -5.08 119.66 117.63 1ajv s GLN 2 Ca 0.00 -0.74 -0.08 0.00 0.05 0.00 0.00 55.36 54.59 1ajv s GLN 2 Cb 0.00 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1ajv s GLN 2 CO 0.00 -0.39 0.08 0.42 -0.55 0.00 0.00 175.29 174.85 1ajv s ILE 3 N 1.56 4.47 0.52 -2.34 1.01 -1.26 -5.10 121.20 120.06 1ajv s ILE 3 Ca 0.04 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1ajv s ILE 3 Cb -0.17 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1ajv s ILE 3 CO 0.04 0.35 0.90 0.42 0.00 0.00 0.00 174.94 176.65 1ajv s THR 4 N 1.47 4.75 -0.24 2.92 -4.23 -1.26 -5.00 115.64 114.04 1ajv s THR 4 Ca 0.06 0.70 0.14 0.00 -1.18 0.00 0.00 61.69 61.41 1ajv s THR 4 Cb -0.15 -3.82 0.65 0.00 1.34 0.00 0.00 72.50 70.53 1ajv s THR 4 CO 0.04 -0.87 1.60 0.18 -0.54 0.00 0.00 174.62 175.03 1ajv n LEU 5 N -2.13 4.88 0.08 4.79 4.77 -1.26 -4.39 117.00 123.74 1ajv n LEU 5 Ca 0.04 -3.12 0.01 0.00 -0.03 0.00 0.00 56.01 52.91 1ajv n LEU 5 Cb 0.54 -0.64 0.35 0.00 -2.33 0.00 0.00 43.42 41.35 1ajv n LEU 5 CO 0.53 0.75 0.88 -0.50 -1.33 0.00 0.00 177.39 177.72 1ajv h TRP 6 N 2.47 0.34 -2.56 -1.77 4.06 -2.06 -3.43 115.95 113.00 1ajv h TRP 6 Ca 0.08 -0.04 -0.51 0.00 2.06 0.00 0.00 58.89 60.48 1ajv h TRP 6 Cb 1.81 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.73 1ajv h TRP 6 CO 0.88 0.44 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.90 1ajv s GLN 7 N -4.75 1.63 0.25 0.49 1.11 -1.26 -5.10 119.66 112.02 1ajv s GLN 7 Ca -0.06 -1.86 -0.31 0.00 0.01 0.00 0.00 55.36 53.14 1ajv s GLN 7 Cb 0.15 -1.16 -0.12 0.00 -1.01 0.00 0.00 33.01 30.88 1ajv s GLN 7 CO 0.75 -0.02 1.60 0.54 0.01 0.00 0.00 175.29 178.16 1ajv n ARG 8 N -0.66 2.57 -2.62 2.91 1.74 -1.26 -4.87 116.66 114.47 1ajv n ARG 8 Ca -0.05 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.52 1ajv n ARG 8 Cb 0.65 -2.69 -0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1ajv n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ajv s PRO 9 N 0.05 3.96 -0.06 5.56 0.04 -1.26 -4.95 135.00 138.33 1ajv s PRO 9 Ca 0.69 -1.98 -0.16 0.00 0.04 0.00 0.00 61.00 59.59 1ajv s PRO 9 Cb -0.54 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.48 1ajv s PRO 9 CO 0.44 -2.20 0.42 -0.51 0.04 0.00 0.00 177.00 175.18 1ajv s LEU 10 N 4.02 4.38 0.16 -3.56 1.43 -1.26 -0.97 118.68 122.89 1ajv s LEU 10 Ca 0.52 0.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1ajv s LEU 10 Cb 0.03 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 1ajv s LEU 10 CO 0.05 0.19 -0.07 0.68 0.23 0.00 0.00 176.35 177.44 1ajv s VAL 11 N -0.33 1.05 -0.17 -1.59 -7.23 0.84 -4.93 120.40 108.05 1ajv s VAL 11 Ca 0.24 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.21 1ajv s VAL 11 Cb -0.16 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1ajv s VAL 11 CO 0.11 -0.64 0.37 -0.89 -0.31 0.00 0.00 175.10 173.74 1ajv s THR 12 N -3.41 5.25 0.31 5.32 2.01 -1.26 -0.22 115.64 123.64 1ajv s THR 12 Ca 0.20 0.68 0.10 0.00 0.31 0.00 0.00 61.69 62.98 1ajv s THR 12 Cb 0.04 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1ajv s THR 12 CO 0.02 0.33 -0.06 0.27 -0.69 0.00 0.00 174.62 174.49 1ajv s ILE 13 N 0.82 2.73 -0.09 1.82 -4.36 0.71 -2.59 121.20 120.23 1ajv s ILE 13 Ca 0.19 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1ajv s ILE 13 Cb -0.14 -2.67 0.02 0.00 1.25 0.00 0.00 42.46 40.93 1ajv s ILE 13 CO 0.07 -0.29 -0.07 -0.75 0.24 0.00 0.00 174.94 174.14 1ajv s LYS 14 N -3.64 1.30 -0.06 0.37 2.20 -0.23 -0.63 119.74 119.05 1ajv s LYS 14 Ca 0.33 -0.19 -0.11 0.00 -0.36 0.00 0.00 55.97 55.63 1ajv s LYS 14 Cb -0.02 -1.35 0.02 0.00 -1.51 0.00 0.00 37.83 34.97 1ajv s LYS 14 CO 0.18 -0.20 0.28 -1.50 -0.36 0.00 0.00 175.35 173.75 1ajv s ILE 15 N 1.49 0.03 -0.74 5.43 2.07 -0.19 -1.41 121.20 127.89 1ajv s ILE 15 Ca -0.00 -0.25 -0.00 0.00 -1.41 0.00 0.00 60.65 58.99 1ajv s ILE 15 Cb -0.13 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 41.98 1ajv s ILE 15 CO -0.05 -0.14 0.02 0.61 -1.91 0.00 0.00 174.94 173.47 1ajv n GLY 16 N 2.17 -0.50 3.05 1.50 0.00 -1.26 0.47 105.19 110.63 1ajv n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1ajv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajv n GLY 17 N -0.72 2.85 3.83 -0.02 0.00 -1.26 -5.00 105.19 104.87 1ajv n GLY 17 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1ajv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ajv s GLN 18 N -0.08 3.87 -0.19 1.61 -0.21 0.18 -5.07 119.66 119.76 1ajv s GLN 18 Ca 0.00 0.32 -0.16 0.00 0.02 0.00 0.00 55.36 55.54 1ajv s GLN 18 Cb 0.00 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1ajv s GLN 18 CO 0.00 0.67 0.39 -0.51 -2.12 0.00 0.00 175.29 173.72 1ajv s LEU 19 N -0.95 4.17 0.25 2.90 1.43 -1.26 -1.02 118.68 124.19 1ajv s LEU 19 Ca 0.22 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 1ajv s LEU 19 Cb -0.16 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 1ajv s LEU 19 CO 0.11 -0.05 -0.01 -0.54 0.23 0.00 0.00 176.35 176.09 1ajv s LYS 20 N 1.16 1.41 -0.12 1.70 1.02 0.20 -4.96 119.74 120.15 1ajv s LYS 20 Ca 0.19 -1.72 -0.03 0.00 0.02 0.00 0.00 55.97 54.43 1ajv s LYS 20 Cb -0.15 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1ajv s LYS 20 CO 0.08 -0.07 0.00 -2.00 -0.92 0.00 0.00 175.35 172.44 1ajv s GLU 21 N -3.83 3.29 0.04 1.68 2.12 -1.26 -0.21 118.70 120.53 1ajv s GLU 21 Ca 0.29 -0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 1ajv s GLU 21 Cb 0.05 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 1ajv s GLU 21 CO 0.10 0.54 0.01 0.00 -0.54 0.00 0.00 175.26 175.37 1ajv s ALA 22 N -0.43 0.20 -0.19 6.30 0.00 0.70 -4.45 121.76 123.89 1ajv s ALA 22 Ca 0.08 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.08 1ajv s ALA 22 Cb -0.12 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1ajv s ALA 22 CO 0.02 -0.29 0.34 -1.17 0.00 0.00 0.00 175.76 174.66 1ajv s LEU 23 N -2.22 4.17 -0.31 0.00 2.96 0.15 -0.11 118.68 123.32 1ajv s LEU 23 Ca -0.04 0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 1ajv s LEU 23 Cb -0.00 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.26 1ajv s LEU 23 CO -0.06 -0.01 1.23 -0.76 -1.32 0.00 0.00 176.35 175.43 1ajv s LEU 24 N 1.05 3.88 -0.34 -0.68 1.43 -0.14 -0.50 118.68 123.38 1ajv s LEU 24 Ca 0.17 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 1ajv s LEU 24 Cb -0.14 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1ajv s LEU 24 CO 0.07 -1.04 0.07 -0.62 0.23 0.00 0.00 176.35 175.06 1ajv s ASP 25 N 2.46 4.59 0.54 2.29 -1.08 -0.01 -4.78 116.67 120.68 1ajv s ASP 25 Ca 0.53 -2.08 0.35 0.00 -0.52 0.00 0.00 52.55 50.83 1ajv s ASP 25 Cb -0.15 -1.46 1.58 0.00 -1.46 0.00 0.00 42.92 41.43 1ajv s ASP 25 CO 0.21 -0.38 2.04 0.71 0.52 0.00 0.00 175.17 178.27 1ajv h THR 26 N 6.54 0.00 0.00 1.71 1.35 -1.94 -2.12 112.91 118.45 1ajv h THR 26 Ca -0.06 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1ajv h THR 26 Cb 1.01 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1ajv h THR 26 CO 0.51 0.00 -0.25 0.61 -0.25 0.00 0.00 175.52 176.14 1ajv n GLY 27 N -0.28 -1.51 3.67 5.82 0.00 -1.26 -4.76 105.19 106.87 1ajv n GLY 27 Ca -0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1ajv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajv s ALA 28 N -3.08 3.52 0.16 4.61 0.00 -0.80 -4.95 121.76 121.22 1ajv s ALA 28 Ca 0.10 -0.06 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 1ajv s ALA 28 Cb 0.15 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 20.15 1ajv s ALA 28 CO 0.63 -0.60 1.49 -0.44 0.00 0.00 0.00 175.76 176.85 1ajv h ASP 29 N 7.36 0.89 -1.56 0.00 3.32 -1.87 0.34 116.42 124.91 1ajv h ASP 29 Ca -0.30 -0.42 -0.56 0.00 0.02 0.00 0.00 57.03 55.77 1ajv h ASP 29 Cb 1.14 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 1ajv h ASP 29 CO 0.81 1.19 -0.48 -1.81 -1.72 0.00 0.00 179.24 177.23 1ajv s ASP 30 N -6.86 4.49 -0.19 6.45 1.01 -1.26 -2.38 116.67 117.92 1ajv s ASP 30 Ca -0.10 -1.05 -0.06 0.00 0.71 0.00 0.00 52.55 52.05 1ajv s ASP 30 Cb 0.11 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 1ajv s ASP 30 CO 0.87 -0.57 0.02 -0.89 0.21 0.00 0.00 175.17 174.81 1ajv s THR 31 N -2.59 4.27 -0.06 -1.27 2.01 -1.26 -2.90 115.64 113.83 1ajv s THR 31 Ca 0.41 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1ajv s THR 31 Cb 0.03 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.64 1ajv s THR 31 CO 0.23 0.44 -0.06 0.54 -0.69 0.00 0.00 174.62 175.08 1ajv s VAL 32 N 0.74 0.71 0.21 3.82 0.11 -0.46 -0.31 120.40 125.21 1ajv s VAL 32 Ca 0.01 -0.17 0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1ajv s VAL 32 Cb -0.14 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1ajv s VAL 32 CO 0.02 0.28 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.12 1ajv s LEU 33 N 1.19 2.63 0.88 2.54 1.43 0.65 -0.51 118.68 127.49 1ajv s LEU 33 Ca -0.06 -0.81 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1ajv s LEU 33 Cb -0.14 -1.31 0.12 0.00 0.03 0.00 0.00 46.19 44.90 1ajv s LEU 33 CO -0.02 0.10 1.13 -1.83 0.23 0.00 0.00 176.35 175.96 1ajv s GLU 34 N -2.89 1.34 -0.17 1.70 -1.05 -1.25 -1.08 118.70 115.30 1ajv s GLU 34 Ca 0.24 1.44 -0.41 0.00 -0.15 0.00 0.00 54.97 56.09 1ajv s GLU 34 Cb -0.08 -1.77 -0.18 0.00 -0.44 0.00 0.00 34.13 31.66 1ajv s GLU 34 CO 0.12 -2.37 1.45 0.39 0.95 0.00 0.00 175.26 175.80 1ajv n GLU 35 N -4.05 0.62 -3.50 -4.83 -0.58 -1.11 -4.48 120.64 102.71 1ajv n GLU 35 Ca 0.11 0.22 -0.10 0.00 -0.42 0.00 0.00 57.16 56.97 1ajv n GLU 35 Cb 0.52 -1.81 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 1ajv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ajv s MET 36 N 1.80 1.25 -0.17 3.49 0.23 -1.26 -5.01 119.30 119.64 1ajv s MET 36 Ca 0.95 -0.51 -0.19 0.00 -1.03 0.00 0.00 55.69 54.91 1ajv s MET 36 Cb -1.19 0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 32.63 1ajv s MET 36 CO 0.63 -0.55 0.54 0.45 -2.03 0.00 0.00 175.02 174.05 1ajv s SER 37 N -2.73 6.65 0.07 -1.18 0.15 -1.26 -5.02 113.70 110.38 1ajv s SER 37 Ca 0.03 0.78 0.07 0.00 0.70 0.00 0.00 55.95 57.54 1ajv s SER 37 Cb -0.02 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1ajv s SER 37 CO -0.09 -0.14 -0.20 -0.76 1.20 0.00 0.00 173.24 173.25 1ajv s LEU 38 N 1.32 2.23 0.44 3.45 1.43 -1.26 -4.98 118.68 121.31 1ajv s LEU 38 Ca 0.26 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1ajv s LEU 38 Cb -0.16 -0.89 -0.07 0.00 0.03 0.00 0.00 46.19 45.10 1ajv s LEU 38 CO 0.11 0.10 0.84 -2.16 0.23 0.00 0.00 176.35 175.47 1ajv s PRO 39 N -1.50 3.84 0.00 1.29 0.04 -1.26 -4.97 135.00 132.44 1ajv s PRO 39 Ca 0.06 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1ajv s PRO 39 Cb -0.09 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1ajv s PRO 39 CO 0.03 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1ajv n GLY 40 N -1.39 0.67 3.88 0.56 0.00 -1.26 -5.00 105.19 102.65 1ajv n GLY 40 Ca 0.04 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1ajv n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ajv s ARG 41 N -1.10 3.69 0.07 1.61 3.52 -1.26 -5.09 118.95 120.39 1ajv s ARG 41 Ca 0.00 0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 56.07 1ajv s ARG 41 Cb 0.00 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1ajv s ARG 41 CO 0.00 -0.21 0.01 1.67 -0.81 0.00 0.00 175.30 175.96 1ajv s TRP 42 N -2.66 0.55 0.02 5.12 1.48 -1.26 -4.67 118.94 117.52 1ajv s TRP 42 Ca 0.52 -1.05 0.08 0.00 -1.06 0.00 0.00 56.10 54.59 1ajv s TRP 42 Cb -0.10 -0.37 -0.03 0.00 -1.16 0.00 0.00 33.47 31.81 1ajv s TRP 42 CO 0.40 -0.43 -0.25 0.15 -4.06 0.00 0.00 176.95 172.76 1ajv s LYS 43 N -3.94 1.95 0.45 3.25 1.02 -0.70 -4.88 119.74 116.89 1ajv s LYS 43 Ca 0.10 -1.03 -0.20 0.00 0.02 0.00 0.00 55.97 54.86 1ajv s LYS 43 Cb 0.08 -2.03 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 1ajv s LYS 43 CO -0.08 0.53 0.97 -1.25 -0.92 0.00 0.00 175.35 174.61 1ajv s PRO 44 N -1.04 4.11 0.08 -1.68 0.04 -1.26 0.18 135.00 135.42 1ajv s PRO 44 Ca 0.11 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 1ajv s PRO 44 Cb -0.10 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1ajv s PRO 44 CO 0.01 -0.14 0.32 0.21 0.04 0.00 0.00 177.00 177.44 1ajv s LYS 45 N -3.28 0.91 -0.16 4.56 2.20 -0.34 -4.86 119.74 118.77 1ajv s LYS 45 Ca 0.63 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.58 1ajv s LYS 45 Cb -0.11 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1ajv s LYS 45 CO 0.16 -0.32 -0.19 1.41 -0.36 0.00 0.00 175.35 176.05 1ajv s MET 46 N -3.26 3.06 0.08 4.03 -2.45 -1.26 -0.72 119.30 118.78 1ajv s MET 46 Ca -0.00 -0.82 0.09 0.00 -1.25 0.00 0.00 55.69 53.71 1ajv s MET 46 Cb 0.01 -2.54 -0.03 0.00 1.25 0.00 0.00 34.83 33.52 1ajv s MET 46 CO -0.08 -0.08 -0.24 0.96 1.05 0.00 0.00 175.02 176.63 1ajv s ILE 47 N 0.99 1.97 0.15 10.11 -4.36 -0.51 -4.94 121.20 124.60 1ajv s ILE 47 Ca -0.02 -1.48 -0.05 0.00 -0.26 0.00 0.00 60.65 58.83 1ajv s ILE 47 Cb -0.15 -1.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.81 1ajv s ILE 47 CO -0.05 0.16 0.18 -0.83 0.24 0.00 0.00 174.94 174.64 1ajv s GLY 48 N -1.59 0.69 0.00 6.27 0.00 -1.26 -0.19 107.32 111.24 1ajv s GLY 48 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1ajv s GLY 48 CO 0.04 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1ajv n GLY 49 N -0.15 3.23 3.71 0.20 0.00 -0.88 -4.95 105.19 106.34 1ajv n GLY 49 Ca -0.07 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1ajv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ajv s ILE 50 N 0.11 2.77 0.00 -0.61 1.09 -1.26 -1.90 121.20 121.40 1ajv s ILE 50 Ca 0.00 0.49 0.00 0.00 -1.10 0.00 0.00 60.65 60.04 1ajv s ILE 50 Cb 0.00 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 38.08 1ajv s ILE 50 CO 0.00 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 1ajv n GLY 51 N 3.79 1.16 0.00 6.18 0.00 -1.26 -4.96 105.19 110.10 1ajv n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ajv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajv n GLY 52 N -2.00 -0.15 3.88 -0.02 0.00 -0.80 -5.07 105.19 101.03 1ajv n GLY 52 Ca 0.00 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.55 1ajv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ajv s PHE 53 N 0.00 3.28 0.05 1.61 0.40 -1.26 -2.06 117.98 120.00 1ajv s PHE 53 Ca 0.00 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.35 1ajv s PHE 53 Cb 0.00 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1ajv s PHE 53 CO 0.00 0.50 -0.09 0.96 0.70 0.00 0.00 175.22 177.29 1ajv s ILE 54 N -1.90 0.66 -0.03 0.64 -4.36 0.73 -4.96 121.20 111.98 1ajv s ILE 54 Ca 0.33 -1.20 -0.19 0.00 -0.26 0.00 0.00 60.65 59.34 1ajv s ILE 54 Cb -0.09 -0.79 -0.05 0.00 1.25 0.00 0.00 42.46 42.78 1ajv s ILE 54 CO 0.26 -0.40 0.52 -0.75 0.24 0.00 0.00 174.94 174.81 1ajv s LYS 55 N -1.81 4.23 0.19 0.37 2.20 -1.26 -1.43 119.74 122.24 1ajv s LYS 55 Ca -0.07 0.58 0.02 0.00 -0.36 0.00 0.00 55.97 56.14 1ajv s LYS 55 Cb -0.09 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1ajv s LYS 55 CO 0.00 0.39 0.02 0.14 -0.36 0.00 0.00 175.35 175.54 1ajv s VAL 56 N -0.20 0.67 -0.17 4.02 -7.23 0.10 -4.46 120.40 113.13 1ajv s VAL 56 Ca 0.28 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1ajv s VAL 56 Cb -0.17 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 1ajv s VAL 56 CO 0.14 -0.39 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.39 1ajv s ARG 57 N -3.93 3.62 -0.26 4.82 0.52 0.55 -1.20 118.95 123.06 1ajv s ARG 57 Ca 0.27 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.80 1ajv s ARG 57 Cb 0.06 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1ajv s ARG 57 CO 0.06 0.14 0.31 -1.14 0.02 0.00 0.00 175.30 174.69 1ajv s GLN 58 N 0.63 4.02 -0.11 3.54 0.74 0.13 -0.51 119.66 128.09 1ajv s GLN 58 Ca -0.02 -0.06 -0.00 0.00 0.05 0.00 0.00 55.36 55.33 1ajv s GLN 58 Cb -0.14 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1ajv s GLN 58 CO 0.02 -0.20 -0.10 0.71 -0.55 0.00 0.00 175.29 175.17 1ajv s TYR 59 N 1.84 2.87 0.23 1.67 1.51 -0.05 -1.72 117.35 123.71 1ajv s TYR 59 Ca 0.13 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1ajv s TYR 59 Cb -0.16 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1ajv s TYR 59 CO 0.10 -0.02 0.32 -0.51 -1.11 0.00 0.00 175.55 174.33 1ajv s ASP 60 N -0.01 6.15 -1.39 2.29 1.01 -1.26 -0.28 116.67 123.17 1ajv s ASP 60 Ca -0.02 0.01 -0.05 0.00 0.71 0.00 0.00 52.55 53.20 1ajv s ASP 60 Cb -0.14 -1.76 0.03 0.00 1.01 0.00 0.00 42.92 42.06 1ajv s ASP 60 CO 0.04 -0.05 0.76 1.67 0.21 0.00 0.00 175.17 177.79 1ajv n GLN 61 N -1.28 -4.91 -3.50 8.23 -0.06 -1.19 -4.88 117.38 109.78 1ajv n GLN 61 Ca -0.09 0.59 -0.37 0.00 -2.00 0.00 0.00 57.00 55.13 1ajv n GLN 61 Cb 0.57 -5.21 -0.06 0.00 -4.06 0.00 0.00 30.24 21.48 1ajv n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ajv s ILE 62 N -3.58 5.23 -0.11 1.69 -1.09 0.18 -4.75 121.20 118.77 1ajv s ILE 62 Ca 0.22 0.69 -0.23 0.00 -2.23 0.00 0.00 60.65 59.10 1ajv s ILE 62 Cb -0.11 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1ajv s ILE 62 CO 0.83 0.44 0.68 -0.22 -1.23 0.00 0.00 174.94 175.44 1ajv s LEU 63 N 0.03 4.26 0.07 2.97 2.96 -1.26 -1.57 118.68 126.15 1ajv s LEU 63 Ca 0.20 1.09 0.04 0.00 -0.22 0.00 0.00 54.13 55.24 1ajv s LEU 63 Cb -0.14 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1ajv s LEU 63 CO 0.08 -0.17 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.19 1ajv s ILE 64 N 1.15 0.97 -0.18 6.68 1.01 0.32 -4.58 121.20 126.58 1ajv s ILE 64 Ca 0.35 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1ajv s ILE 64 Cb -0.17 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1ajv s ILE 64 CO 0.15 -0.34 -0.19 -1.61 0.00 0.00 0.00 174.94 172.95 1ajv s GLU 65 N -2.00 3.02 -0.26 2.79 2.02 -0.50 -0.15 118.70 123.62 1ajv s GLU 65 Ca -0.01 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.13 1ajv s GLU 65 Cb -0.08 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.60 1ajv s GLU 65 CO 0.01 -0.17 -0.03 0.42 0.02 0.00 0.00 175.26 175.51 1ajv s ILE 66 N 1.22 3.09 -1.54 -1.63 1.01 0.39 -1.06 121.20 122.67 1ajv s ILE 66 Ca 0.03 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 1ajv s ILE 66 Cb -0.14 -2.59 0.06 0.00 0.01 0.00 0.00 42.46 39.80 1ajv s ILE 66 CO -0.10 0.15 0.46 0.00 0.00 0.00 0.00 174.94 175.44 1ajv n GLY 68 N -1.89 1.64 3.59 0.00 0.00 -1.26 -5.01 105.19 102.25 1ajv n GLY 68 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1ajv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ajv s HIS 69 N -3.38 3.22 0.24 1.61 4.02 0.93 -5.06 115.29 116.86 1ajv s HIS 69 Ca 0.00 0.05 -0.30 0.00 1.02 0.00 0.00 55.06 55.83 1ajv s HIS 69 Cb 0.00 -2.30 -0.09 0.00 -1.02 0.00 0.00 32.58 29.17 1ajv s HIS 69 CO 0.00 -0.11 1.02 0.15 1.02 0.00 0.00 174.74 176.82 1ajv s LYS 70 N 1.42 4.74 -0.01 1.40 1.02 -1.26 -0.46 119.74 126.59 1ajv s LYS 70 Ca 0.07 1.63 -0.06 0.00 0.02 0.00 0.00 55.97 57.63 1ajv s LYS 70 Cb -0.15 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1ajv s LYS 70 CO 0.07 0.33 0.12 0.00 -0.92 0.00 0.00 175.35 174.96 1ajv s ALA 71 N -0.98 -0.29 0.02 5.17 0.00 0.78 -4.83 121.76 121.63 1ajv s ALA 71 Ca 0.44 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.44 1ajv s ALA 71 Cb -0.28 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ajv s ALA 71 CO 0.36 -0.17 -0.26 0.42 0.00 0.00 0.00 175.76 176.11 1ajv s ILE 72 N -1.02 2.13 0.00 0.00 1.09 -1.26 -0.52 121.20 121.62 1ajv s ILE 72 Ca -0.11 -1.30 0.00 0.00 -1.10 0.00 0.00 60.65 58.14 1ajv s ILE 72 Cb -0.06 -1.80 0.00 0.00 -1.06 0.00 0.00 42.46 39.54 1ajv s ILE 72 CO 0.01 0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.89 1ajv n GLY 73 N 1.97 -0.40 3.74 6.18 0.00 -0.61 -4.92 105.19 111.16 1ajv n GLY 73 Ca -0.17 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1ajv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajv s THR 74 N -2.00 3.61 -0.04 2.61 2.01 -1.26 -0.64 115.64 119.93 1ajv s THR 74 Ca 0.00 1.41 0.04 0.00 0.31 0.00 0.00 61.69 63.45 1ajv s THR 74 Cb 0.00 -3.90 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 1ajv s THR 74 CO 0.00 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.32 1ajv s VAL 75 N -0.30 1.38 -0.07 3.82 1.01 0.62 -4.52 120.40 122.34 1ajv s VAL 75 Ca 0.50 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1ajv s VAL 75 Cb -0.32 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1ajv s VAL 75 CO 0.37 0.40 0.06 -0.76 0.00 0.00 0.00 175.10 175.17 1ajv s LEU 76 N -0.04 3.87 -0.08 3.92 1.43 0.57 -0.87 118.68 127.49 1ajv s LEU 76 Ca -0.02 0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1ajv s LEU 76 Cb -0.10 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1ajv s LEU 76 CO 0.02 0.35 -0.19 -0.69 0.23 0.00 0.00 176.35 176.07 1ajv s VAL 77 N -1.02 1.64 -0.02 -1.59 1.01 0.33 -0.26 120.40 120.49 1ajv s VAL 77 Ca 0.17 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1ajv s VAL 77 Cb -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1ajv s VAL 77 CO 0.07 0.47 0.48 0.61 0.00 0.00 0.00 175.10 176.72 1ajv n GLY 78 N 3.61 0.40 2.13 4.51 0.00 -0.24 -0.33 105.19 115.26 1ajv n GLY 78 Ca -0.21 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 1ajv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ajv n PRO 79 N -0.35 1.28 -2.88 1.61 -0.04 -1.26 -2.74 135.00 130.62 1ajv n PRO 79 Ca 0.02 -0.61 -0.38 0.00 -0.04 0.00 0.00 63.50 62.49 1ajv n PRO 79 Cb 0.21 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1ajv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ajv s THR 80 N 1.59 4.28 -0.60 0.52 -1.32 -1.26 -4.96 115.64 113.90 1ajv s THR 80 Ca 0.41 1.76 0.25 0.00 -1.21 0.00 0.00 61.69 62.90 1ajv s THR 80 Cb 0.20 -4.09 0.27 0.00 -1.51 0.00 0.00 72.50 67.37 1ajv s THR 80 CO 0.00 0.33 1.75 -0.81 -2.21 0.00 0.00 174.62 173.68 1ajv n PRO 81 N 1.05 0.24 -3.81 7.08 -0.04 -1.26 -4.62 135.00 133.63 1ajv n PRO 81 Ca -0.02 0.32 -0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1ajv n PRO 81 Cb 0.49 -1.85 -0.10 0.00 -0.04 0.00 0.00 33.50 32.00 1ajv n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ajv s VAL 82 N -3.21 0.05 0.02 0.52 0.11 -1.26 -5.09 120.40 111.53 1ajv s VAL 82 Ca 0.08 -0.37 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 1ajv s VAL 82 Cb 0.11 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1ajv s VAL 82 CO 0.50 -0.21 1.06 0.20 -3.33 0.00 0.00 175.10 173.33 1ajv s ASN 83 N -0.82 7.26 -0.11 3.54 0.01 -1.26 -4.70 114.94 118.85 1ajv s ASN 83 Ca -0.09 1.78 0.02 0.00 -0.71 0.00 0.00 52.86 53.86 1ajv s ASN 83 Cb -0.05 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ajv s ASN 83 CO 0.02 -0.35 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.46 1ajv s ILE 84 N 1.09 1.63 -0.36 0.60 1.01 0.34 -0.67 121.20 124.84 1ajv s ILE 84 Ca 0.54 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 1ajv s ILE 84 Cb -0.24 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1ajv s ILE 84 CO 0.28 0.47 0.36 -0.63 0.00 0.00 0.00 174.94 175.42 1ajv s ILE 85 N 0.87 5.17 0.38 2.92 -1.09 0.35 -1.36 121.20 128.44 1ajv s ILE 85 Ca -0.08 -0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1ajv s ILE 85 Cb -0.15 -3.87 0.07 0.00 -1.58 0.00 0.00 42.46 36.93 1ajv s ILE 85 CO -0.00 -0.17 0.52 0.61 -1.23 0.00 0.00 174.94 174.67 1ajv n GLY 86 N 5.02 0.96 0.32 6.18 0.00 -1.14 -0.83 105.19 115.69 1ajv n GLY 86 Ca -0.09 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 43.94 1ajv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ajv h ARG 87 N 0.00 0.59 -0.68 1.61 3.08 -0.31 -2.08 114.38 116.59 1ajv h ARG 87 Ca -0.17 -0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.04 1ajv h ARG 87 Cb 0.67 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1ajv h ARG 87 CO 0.20 0.39 0.51 -2.95 -1.07 0.00 0.00 179.97 177.04 1ajv h ASN 88 N 0.61 0.00 0.00 7.04 -1.07 -1.72 -2.03 115.58 118.40 1ajv h ASN 88 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.26 1ajv h ASN 88 Cb -0.02 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.17 1ajv h ASN 88 CO -0.04 0.00 -2.08 0.18 0.07 0.00 0.00 177.43 175.56 1ajv n LEU 89 N -4.26 0.73 -0.02 6.14 4.77 -0.99 -4.37 117.00 119.01 1ajv n LEU 89 Ca 0.13 -0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 1ajv n LEU 89 Cb 0.77 0.12 0.37 0.00 -2.33 0.00 0.00 43.42 42.35 1ajv n LEU 89 CO 0.37 0.50 1.10 -0.07 -1.33 0.00 0.00 177.39 177.96 1ajv h LEU 90 N 0.00 0.51 -0.93 2.23 3.38 -1.06 -1.87 115.31 117.58 1ajv h LEU 90 Ca -0.43 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1ajv h LEU 90 Cb 1.89 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 1ajv h LEU 90 CO 0.00 0.43 0.35 0.71 0.09 0.00 0.00 178.44 180.02 1ajv h THR 91 N 0.58 1.25 0.00 0.22 1.35 -1.59 -0.86 112.91 113.85 1ajv h THR 91 Ca 0.15 -0.72 -0.05 0.00 -0.55 0.00 0.00 66.41 65.24 1ajv h THR 91 Cb 0.04 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 1ajv h THR 91 CO -0.02 0.30 -0.24 1.56 -0.25 0.00 0.00 175.52 176.87 1ajv h GLN 92 N 1.11 0.00 -0.22 4.72 1.08 -1.54 -1.28 115.11 118.97 1ajv h GLN 92 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1ajv h GLN 92 Cb 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ajv h GLN 92 CO -0.03 0.24 0.00 0.44 -0.95 0.00 0.00 178.83 178.53 1ajv n ILE 93 N -4.22 0.28 -2.34 2.54 -5.35 -1.01 -4.93 119.36 104.33 1ajv n ILE 93 Ca -0.02 -0.47 -0.07 0.00 -0.27 0.00 0.00 62.75 61.92 1ajv n ILE 93 Cb 0.30 0.62 0.01 0.00 -1.74 0.00 0.00 39.64 38.82 1ajv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ajv n GLY 94 N 1.26 0.21 3.72 3.28 0.00 -0.48 -5.00 105.19 108.18 1ajv n GLY 94 Ca 0.17 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1ajv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajv s THR 96 N 0.31 0.64 -0.19 0.00 -4.23 -1.26 -4.69 115.64 106.22 1ajv s THR 96 Ca 0.49 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1ajv s THR 96 Cb -0.24 -1.67 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 1ajv s THR 96 CO 0.30 -0.88 0.19 -0.76 -0.54 0.00 0.00 174.62 172.93 1ajv s LEU 97 N -3.03 4.22 -0.02 4.79 1.02 -1.26 -5.08 118.68 119.32 1ajv s LEU 97 Ca 0.12 0.33 0.03 0.00 0.02 0.00 0.00 54.13 54.62 1ajv s LEU 97 Cb 0.06 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 44.07 1ajv s LEU 97 CO -0.05 0.15 -0.09 0.20 0.02 0.00 0.00 176.35 176.58 1ajv s ASN 98 N 0.40 1.19 0.00 2.29 -0.87 -1.26 -5.29 114.94 111.40 1ajv s ASN 98 Ca 0.11 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.22 1ajv s ASN 98 Cb -0.12 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.82 1ajv s ASN 98 CO 0.00 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.82