#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o7k s ILE 3 N 0.00 4.97 0.23 0.00 1.01 -1.26 -4.83 121.20 121.32 2o7k s ILE 3 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 2o7k s ILE 3 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 2o7k s ILE 3 CO 0.00 0.04 0.93 0.54 0.00 0.00 0.00 174.94 176.45 2o7k s VAL 4 N 1.67 4.12 0.37 2.92 0.11 -1.19 -4.84 120.40 123.57 2o7k s VAL 4 Ca 0.05 2.06 -0.19 0.00 -2.93 0.00 0.00 61.98 60.98 2o7k s VAL 4 Cb -0.17 -4.32 -0.10 0.00 -1.53 0.00 0.00 36.38 30.26 2o7k s VAL 4 CO 0.09 0.49 0.85 -1.59 -3.33 0.00 0.00 175.10 171.61 2o7k s LYS 5 N -1.09 4.15 0.06 1.54 0.00 -1.26 -1.73 119.74 121.41 2o7k s LYS 5 Ca 0.41 0.93 0.02 0.00 0.00 0.00 0.00 55.97 57.34 2o7k s LYS 5 Cb -0.26 -2.34 -0.03 0.00 0.00 0.00 0.00 37.83 35.21 2o7k s LYS 5 CO 0.31 0.08 -0.08 0.54 0.00 0.00 0.00 175.35 176.20 2o7k s VAL 6 N -2.05 0.66 0.34 1.79 0.11 -0.26 -4.84 120.40 116.15 2o7k s VAL 6 Ca 0.58 -1.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.31 2o7k s VAL 6 Cb -0.10 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2o7k s VAL 6 CO 0.16 -0.50 0.16 0.42 -3.33 0.00 0.00 175.10 172.00 2o7k s THR 7 N -2.01 0.41 0.46 5.04 -4.23 -1.26 -4.45 115.64 109.60 2o7k s THR 7 Ca -0.03 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.60 2o7k s THR 7 Cb -0.06 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.59 2o7k s THR 7 CO -0.01 0.00 2.09 0.44 -0.54 0.00 0.00 174.62 176.60 2o7k h ASP 8 N 2.06 0.27 0.09 3.99 3.32 -1.89 -0.74 116.42 123.52 2o7k h ASP 8 Ca -0.33 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 2o7k h ASP 8 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2o7k h ASP 8 CO 0.52 0.19 -0.25 0.00 -1.72 0.00 0.00 179.24 177.98 2o7k h ALA 9 N 1.84 1.29 0.00 3.45 0.00 -1.98 -3.32 119.26 120.54 2o7k h ALA 9 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2o7k h ALA 9 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2o7k h ALA 9 CO -0.02 0.48 -0.05 -0.40 0.00 0.00 0.00 179.25 179.26 2o7k n ASP 10 N -4.15 1.49 0.10 0.00 5.75 -1.04 -4.83 116.55 113.86 2o7k n ASP 10 Ca -0.01 -2.05 -0.12 0.00 -0.01 0.00 0.00 54.79 52.60 2o7k n ASP 10 Cb 0.37 -0.12 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 2o7k n ASP 10 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2o7k h PHE 11 N 0.00 -0.51 -0.16 2.11 3.57 -1.24 -1.77 116.94 118.94 2o7k h PHE 11 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2o7k h PHE 11 Cb 0.80 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2o7k h PHE 11 CO 0.01 -0.28 0.13 -0.44 -2.23 0.00 0.00 178.31 175.50 2o7k h ASP 12 N -0.36 0.00 0.59 0.41 5.19 -1.85 0.32 116.42 120.72 2o7k h ASP 12 Ca 0.03 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.16 2o7k h ASP 12 Cb 0.39 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.87 2o7k h ASP 12 CO -0.12 0.00 -1.48 0.77 -3.12 0.00 0.00 179.24 175.29 2o7k h SER 13 N 0.00 0.16 0.84 6.45 4.64 -1.82 -3.36 113.55 120.47 2o7k h SER 13 Ca 0.07 -0.25 -0.20 0.00 -0.47 0.00 0.00 61.79 60.94 2o7k h SER 13 Cb 0.33 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2o7k h SER 13 CO -0.00 1.21 -0.95 0.11 -0.87 0.00 0.00 176.83 176.32 2o7k h LYS 14 N 0.03 0.06 -3.37 4.77 6.56 -0.74 -3.39 116.57 120.49 2o7k h LYS 14 Ca -0.21 -0.09 -0.70 0.00 -1.06 0.00 0.00 60.65 58.60 2o7k h LYS 14 Cb 1.95 0.03 -0.36 0.00 -0.57 0.00 0.00 32.23 33.29 2o7k h LYS 14 CO 0.12 0.96 -0.18 0.08 -2.06 0.00 0.00 179.45 178.38 2o7k s VAL 15 N -2.91 4.15 0.00 0.50 1.01 0.05 -4.70 120.40 118.49 2o7k s VAL 15 Ca -0.00 -3.67 0.00 0.00 0.00 0.00 0.00 61.98 58.30 2o7k s VAL 15 Cb 0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2o7k s VAL 15 CO 0.82 -1.04 0.00 -0.62 0.00 0.00 0.00 175.10 174.27 2o7k n GLU 16 N 2.59 0.00 -4.12 2.72 1.02 -1.26 -4.22 120.64 117.36 2o7k n GLU 16 Ca 0.18 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 2o7k n GLU 16 Cb 0.37 -0.42 -0.16 0.00 -0.02 0.00 0.00 31.44 31.21 2o7k n GLU 16 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2o7k s SER 17 N -1.17 0.73 0.00 1.62 1.04 -1.26 -2.77 113.70 111.88 2o7k s SER 17 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2o7k s SER 17 Cb 0.00 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2o7k s SER 17 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2o7k n GLY 18 N 3.70 -1.79 3.60 7.32 0.00 -1.26 -4.74 105.19 112.02 2o7k n GLY 18 Ca -0.22 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 2o7k n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o7k s VAL 19 N 0.00 4.55 -0.05 1.61 1.01 -1.26 0.58 120.40 126.84 2o7k s VAL 19 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 2o7k s VAL 19 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 2o7k s VAL 19 CO 0.00 0.47 0.12 -1.10 0.00 0.00 0.00 175.10 174.59 2o7k s GLN 20 N 0.36 0.13 -0.25 2.72 -0.21 0.17 -2.35 119.66 120.24 2o7k s GLN 20 Ca 0.01 0.19 -0.08 0.00 0.02 0.00 0.00 55.36 55.50 2o7k s GLN 20 Cb -0.13 0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.88 2o7k s GLN 20 CO 0.01 -0.04 0.11 -1.17 -2.12 0.00 0.00 175.29 172.08 2o7k s LEU 21 N 0.21 3.66 -0.23 2.90 2.96 0.64 0.55 118.68 129.37 2o7k s LEU 21 Ca -0.01 -0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.73 2o7k s LEU 21 Cb -0.02 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2o7k s LEU 21 CO -0.01 -0.01 0.03 -0.69 -1.32 0.00 0.00 176.35 174.35 2o7k s VAL 22 N 1.50 4.04 -0.38 1.68 1.01 -0.26 -0.17 120.40 127.82 2o7k s VAL 22 Ca 0.06 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2o7k s VAL 22 Cb -0.15 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2o7k s VAL 22 CO 0.05 0.38 0.46 -0.62 0.00 0.00 0.00 175.10 175.37 2o7k s ASP 23 N 1.42 6.24 -0.42 3.32 2.15 0.96 -1.95 116.67 128.40 2o7k s ASP 23 Ca 0.05 -0.34 -0.20 0.00 0.43 0.00 0.00 52.55 52.49 2o7k s ASP 23 Cb -0.15 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.25 2o7k s ASP 23 CO 0.02 -0.51 0.60 -0.36 -0.17 0.00 0.00 175.17 174.75 2o7k s PHE 24 N 2.24 3.10 0.22 -5.34 0.40 -0.62 -0.12 117.98 117.86 2o7k s PHE 24 Ca 0.15 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2o7k s PHE 24 Cb -0.16 -3.21 -0.01 0.00 0.51 0.00 0.00 43.02 40.15 2o7k s PHE 24 CO 0.14 -0.78 0.11 -2.67 0.70 0.00 0.00 175.22 172.72 2o7k n TRP 25 N 6.08 -0.12 -3.54 0.36 4.27 -0.86 -3.38 117.44 120.25 2o7k n TRP 25 Ca -0.03 -1.53 -0.16 0.00 -3.89 0.00 0.00 57.50 51.89 2o7k n TRP 25 Cb 0.48 0.06 -0.06 0.00 -1.36 0.00 0.00 31.31 30.43 2o7k n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2o7k s ALA 26 N -2.68 -1.82 0.46 -1.67 0.00 -1.26 -0.29 121.76 114.50 2o7k s ALA 26 Ca 0.16 1.40 0.12 0.00 0.00 0.00 0.00 51.96 53.64 2o7k s ALA 26 Cb 0.01 -0.22 1.07 0.00 0.00 0.00 0.00 23.12 23.98 2o7k s ALA 26 CO 0.11 -0.35 2.09 1.79 0.00 0.00 0.00 175.76 179.40 2o7k h THR 27 N 2.86 1.02 -0.00 0.00 1.35 -2.01 -1.98 112.91 114.15 2o7k h THR 27 Ca -0.24 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2o7k h THR 27 Cb 1.15 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2o7k h THR 27 CO 0.37 0.05 -0.01 -2.67 -0.25 0.00 0.00 175.52 173.01 2o7k n TRP 28 N -4.50 0.00 -2.83 4.73 4.27 -1.26 -4.81 117.44 113.04 2o7k n TRP 28 Ca 0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 2o7k n TRP 28 Cb 0.13 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 30.00 2o7k n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2o7k h GLY 30 N 10.43 -0.04 2.00 0.00 0.00 -1.88 -2.98 103.07 110.60 2o7k h GLY 30 Ca -0.24 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2o7k h GLY 30 CO 1.01 -0.02 -0.04 -2.55 0.00 0.00 0.00 176.54 174.94 2o7k h PRO 31 N -0.38 0.00 -0.35 4.80 0.11 -1.93 -1.67 132.00 132.58 2o7k h PRO 31 Ca -0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2o7k h PRO 31 Cb 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2o7k h PRO 31 CO 0.01 0.04 -0.34 0.00 -0.21 0.00 0.00 178.00 177.50 2o7k h LYS 33 N 0.67 0.26 -0.22 0.00 -0.00 -1.15 -1.72 116.57 114.40 2o7k h LYS 33 Ca 0.07 -0.06 -0.20 0.00 -0.00 0.00 0.00 60.65 60.45 2o7k h LYS 33 Cb 0.88 -0.03 0.01 0.00 -0.00 0.00 0.00 32.23 33.08 2o7k h LYS 33 CO 0.08 0.40 -0.65 1.98 -0.00 0.00 0.00 179.45 181.25 2o7k h MET 34 N 0.24 0.84 0.00 0.07 -1.53 -1.25 -3.22 114.93 110.08 2o7k h MET 34 Ca 0.05 -0.60 0.00 0.00 -3.44 0.00 0.00 59.70 55.71 2o7k h MET 34 Cb 0.39 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.54 2o7k h MET 34 CO 0.02 1.22 -0.13 -0.84 0.14 0.00 0.00 176.91 177.32 2o7k h ILE 35 N 0.60 0.00 -0.37 1.77 3.07 -1.16 -3.38 117.51 118.04 2o7k h ILE 35 Ca -0.02 -0.53 0.08 0.00 1.55 0.00 0.00 64.86 65.93 2o7k h ILE 35 Cb 1.28 1.44 -0.09 0.00 -0.27 0.00 0.00 36.82 39.18 2o7k h ILE 35 CO 0.14 0.00 -0.34 0.00 -1.05 0.00 0.00 178.15 176.90 2o7k h ALA 36 N 2.47 -0.23 -0.23 0.16 0.00 -1.32 -1.06 119.26 119.05 2o7k h ALA 36 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2o7k h ALA 36 Cb 0.77 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2o7k h ALA 36 CO 0.00 -0.75 0.06 -1.00 0.00 0.00 0.00 179.25 177.56 2o7k h PRO 37 N -0.28 0.32 -0.30 0.00 0.13 -1.77 -2.22 132.00 127.88 2o7k h PRO 37 Ca 0.16 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 2o7k h PRO 37 Cb 0.55 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2o7k h PRO 37 CO -0.52 0.30 -0.18 0.28 -0.23 0.00 0.00 178.00 177.65 2o7k h VAL 38 N 0.32 1.25 -0.18 1.56 2.07 -1.45 -2.56 116.25 117.26 2o7k h VAL 38 Ca 0.08 -1.16 -0.19 0.00 0.82 0.00 0.00 66.70 66.25 2o7k h VAL 38 Cb 0.13 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2o7k h VAL 38 CO -0.00 0.38 -0.66 -0.07 0.02 0.00 0.00 177.57 177.23 2o7k h LEU 39 N 0.50 0.78 -1.15 2.57 3.38 -0.73 -1.56 115.31 119.10 2o7k h LEU 39 Ca 0.08 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 2o7k h LEU 39 Cb 0.59 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2o7k h LEU 39 CO 0.04 1.24 0.50 -0.33 0.09 0.00 0.00 178.44 179.98 2o7k h GLU 40 N 0.49 1.08 -0.06 1.13 5.08 -1.20 0.17 114.58 121.27 2o7k h GLU 40 Ca -0.02 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2o7k h GLU 40 Cb 1.26 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2o7k h GLU 40 CO 0.13 0.74 -0.14 0.93 -1.00 0.00 0.00 179.01 179.67 2o7k h GLU 41 N 1.10 0.21 -0.92 2.33 5.08 -1.39 -3.06 114.58 117.93 2o7k h GLU 41 Ca 0.29 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 2o7k h GLU 41 Cb -0.07 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 2o7k h GLU 41 CO -0.06 0.73 0.56 1.25 -1.00 0.00 0.00 179.01 180.50 2o7k h LEU 42 N -0.29 0.85 -0.47 1.33 5.85 -0.89 -1.46 115.31 120.23 2o7k h LEU 42 Ca 0.00 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.82 2o7k h LEU 42 Cb 0.73 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 2o7k h LEU 42 CO 0.03 0.49 0.16 0.00 -0.34 0.00 0.00 178.44 178.78 2o7k h ALA 43 N 1.47 0.56 -0.63 1.25 0.00 -0.64 -1.96 119.26 119.32 2o7k h ALA 43 Ca 0.43 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2o7k h ALA 43 Cb 0.33 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2o7k h ALA 43 CO -0.23 -0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.05 2o7k h ALA 44 N 1.32 0.82 0.00 0.00 0.00 -1.19 -2.12 119.26 118.08 2o7k h ALA 44 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2o7k h ALA 44 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2o7k h ALA 44 CO -0.24 0.42 0.00 -0.44 0.00 0.00 0.00 179.25 178.99 2o7k h ASP 45 N 0.88 0.00 0.00 0.00 3.32 -0.62 -2.93 116.42 117.07 2o7k h ASP 45 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2o7k h ASP 45 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2o7k h ASP 45 CO -0.02 0.00 -0.06 -1.22 -1.72 0.00 0.00 179.24 176.22 2o7k n TYR 46 N -2.47 0.00 -1.65 4.55 4.02 -0.87 -5.00 117.16 115.74 2o7k n TYR 46 Ca -0.00 -0.81 -0.48 0.00 -0.01 0.00 0.00 57.90 56.59 2o7k n TYR 46 Cb 0.13 -0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.28 2o7k n TYR 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2o7k n GLU 47 N -1.15 1.82 0.00 -0.72 1.02 -0.85 0.48 120.64 121.25 2o7k n GLU 47 Ca 0.12 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2o7k n GLU 47 Cb 0.61 -2.39 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 2o7k n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2o7k n GLY 48 N 3.25 2.36 0.42 0.62 0.00 -1.26 -4.79 105.19 105.80 2o7k n GLY 48 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2o7k n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2o7k n LYS 49 N -2.00 0.40 -3.97 1.61 2.85 0.18 -5.06 118.16 112.16 2o7k n LYS 49 Ca 0.00 0.18 -0.09 0.00 -1.05 0.00 0.00 58.31 57.35 2o7k n LYS 49 Cb 0.00 -1.17 -0.10 0.00 -0.65 0.00 0.00 35.03 33.11 2o7k n LYS 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2o7k s ALA 50 N -2.35 0.08 -0.09 0.58 0.00 -0.38 -4.66 121.76 114.94 2o7k s ALA 50 Ca -0.26 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2o7k s ALA 50 Cb 0.10 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2o7k s ALA 50 CO 0.33 -0.26 0.09 -0.51 0.00 0.00 0.00 175.76 175.40 2o7k s ASP 51 N -1.98 5.89 -0.19 0.00 -0.00 -0.99 -4.57 116.67 114.84 2o7k s ASP 51 Ca -0.07 0.31 -0.01 0.00 -0.00 0.00 0.00 52.55 52.77 2o7k s ASP 51 Cb -0.03 -1.80 0.00 0.00 -0.00 0.00 0.00 42.92 41.09 2o7k s ASP 51 CO -0.04 0.37 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.74 2o7k s ILE 52 N -1.02 2.69 0.20 0.77 1.01 -1.26 -0.26 121.20 123.33 2o7k s ILE 52 Ca 0.16 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 60.17 2o7k s ILE 52 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2o7k s ILE 52 CO 0.06 0.49 -0.12 -0.76 0.00 0.00 0.00 174.94 174.60 2o7k s LEU 53 N 1.21 2.85 -0.06 2.97 1.43 0.77 -3.15 118.68 124.70 2o7k s LEU 53 Ca 0.02 -0.69 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2o7k s LEU 53 Cb -0.14 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2o7k s LEU 53 CO -0.06 0.09 -0.23 -0.54 0.23 0.00 0.00 176.35 175.84 2o7k s LYS 54 N -2.97 2.47 -0.20 1.70 1.02 -0.70 -0.03 119.74 121.03 2o7k s LYS 54 Ca 0.25 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 2o7k s LYS 54 Cb -0.08 -2.05 0.06 0.00 -0.52 0.00 0.00 37.83 35.24 2o7k s LYS 54 CO 0.15 0.30 0.01 -1.17 -0.92 0.00 0.00 175.35 173.72 2o7k s LEU 55 N -0.00 1.52 -0.21 3.17 0.20 0.83 -1.10 118.68 123.09 2o7k s LEU 55 Ca -0.07 -0.90 -0.29 0.00 0.69 0.00 0.00 54.13 53.56 2o7k s LEU 55 Cb -0.14 -0.74 -0.03 0.00 -0.43 0.00 0.00 46.19 44.85 2o7k s LEU 55 CO 0.04 -0.29 1.67 -0.62 -0.29 0.00 0.00 176.35 176.87 2o7k s ASP 56 N 1.74 6.31 0.51 3.68 -1.08 -1.26 -2.03 116.67 124.54 2o7k s ASP 56 Ca -0.02 1.67 0.27 0.00 -0.52 0.00 0.00 52.55 53.95 2o7k s ASP 56 Cb -0.17 -2.53 1.33 0.00 -1.46 0.00 0.00 42.92 40.08 2o7k s ASP 56 CO -0.07 -1.31 2.01 -0.37 0.52 0.00 0.00 175.17 175.94 2o7k h VAL 57 N 6.21 0.51 -0.26 1.11 -1.51 -0.94 -2.19 116.25 119.18 2o7k h VAL 57 Ca -0.35 -0.69 -0.12 0.00 -1.23 0.00 0.00 66.70 64.32 2o7k h VAL 57 Cb 1.16 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2o7k h VAL 57 CO 1.00 0.14 -0.29 0.44 -1.23 0.00 0.00 177.57 177.62 2o7k h ASP 58 N 0.00 0.71 0.51 4.19 3.32 -1.90 -2.91 116.42 120.33 2o7k h ASP 58 Ca -0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2o7k h ASP 58 Cb 0.45 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2o7k h ASP 58 CO 0.02 1.05 -0.22 -0.62 -1.72 0.00 0.00 179.24 177.74 2o7k n GLU 59 N -4.29 0.37 -3.18 3.56 4.71 -1.15 -4.34 120.64 116.32 2o7k n GLU 59 Ca -0.04 -0.15 -0.19 0.00 -0.01 0.00 0.00 57.16 56.77 2o7k n GLU 59 Cb 0.47 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.37 2o7k n GLU 59 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2o7k n ASN 60 N -1.18 0.99 0.13 1.62 3.02 -0.84 -4.86 115.26 114.14 2o7k n ASN 60 Ca 0.10 -3.03 0.05 0.00 -0.03 0.00 0.00 54.58 51.67 2o7k n ASN 60 Cb 0.32 -0.62 0.50 0.00 -0.61 0.00 0.00 39.78 39.37 2o7k n ASN 60 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2o7k h PRO 61 N 3.04 0.25 0.19 3.52 0.13 -1.71 -3.13 132.00 134.29 2o7k h PRO 61 Ca 0.10 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2o7k h PRO 61 Cb 0.94 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 2o7k h PRO 61 CO 0.51 0.22 -0.22 0.77 -0.23 0.00 0.00 178.00 179.05 2o7k h SER 62 N 0.26 -0.60 -0.38 1.44 0.02 -1.93 0.13 113.55 112.49 2o7k h SER 62 Ca 0.07 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2o7k h SER 62 Cb 0.06 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2o7k h SER 62 CO -0.01 -0.32 0.09 0.74 -1.14 0.00 0.00 176.83 176.19 2o7k h THR 63 N -0.46 1.20 -0.55 -2.27 2.02 -1.94 0.06 112.91 110.97 2o7k h THR 63 Ca 0.01 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 2o7k h THR 63 Cb 0.44 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2o7k h THR 63 CO -0.07 0.27 0.02 0.00 0.37 0.00 0.00 175.52 176.11 2o7k h ALA 64 N 1.44 0.99 -0.20 6.16 0.00 -1.40 -2.69 119.26 123.56 2o7k h ALA 64 Ca 0.15 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2o7k h ALA 64 Cb 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2o7k h ALA 64 CO 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 2o7k h ALA 65 N 1.14 0.30 -0.85 0.00 0.00 -0.20 0.18 119.26 119.84 2o7k h ALA 65 Ca 0.16 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.85 2o7k h ALA 65 Cb 0.49 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2o7k h ALA 65 CO 0.02 0.20 0.47 -0.22 0.00 0.00 0.00 179.25 179.73 2o7k h LYS 66 N 0.16 0.72 -0.79 0.00 3.64 -0.82 -1.97 116.57 117.50 2o7k h LYS 66 Ca 0.04 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 2o7k h LYS 66 Cb 0.71 -0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.22 2o7k h LYS 66 CO 0.04 0.48 0.30 0.66 -2.27 0.00 0.00 179.45 178.66 2o7k n TYR 67 N -4.78 2.47 -4.02 1.91 4.02 -1.03 -4.94 117.16 110.78 2o7k n TYR 67 Ca 0.15 -1.22 -0.33 0.00 -0.01 0.00 0.00 57.90 56.49 2o7k n TYR 67 Cb 0.34 -0.70 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 2o7k n TYR 67 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2o7k n GLU 68 N -0.20 -4.52 -2.51 -0.72 -0.58 -0.74 -4.89 120.64 106.48 2o7k n GLU 68 Ca 0.42 0.50 -0.42 0.00 -0.42 0.00 0.00 57.16 57.24 2o7k n GLU 68 Cb 1.39 -5.33 -0.03 0.00 -0.57 0.00 0.00 31.44 26.90 2o7k n GLU 68 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2o7k s VAL 69 N -3.27 3.89 -0.21 2.62 1.01 0.04 -4.83 120.40 119.64 2o7k s VAL 69 Ca 0.70 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 63.25 2o7k s VAL 69 Cb -0.36 -4.66 -0.12 0.00 0.00 0.00 0.00 36.38 31.23 2o7k s VAL 69 CO 0.86 -1.37 -0.10 0.23 0.00 0.00 0.00 175.10 174.71 2o7k n MET 70 N 8.68 0.55 -4.21 2.72 2.81 -1.26 -4.77 117.12 121.63 2o7k n MET 70 Ca 0.09 0.43 -0.27 0.00 -1.81 0.00 0.00 57.70 56.14 2o7k n MET 70 Cb 0.49 -1.62 -0.08 0.00 -0.71 0.00 0.00 33.22 31.30 2o7k n MET 70 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2o7k s SER 71 N -6.70 4.68 0.08 7.83 0.15 -1.26 -5.14 113.70 113.35 2o7k s SER 71 Ca -0.29 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 55.99 2o7k s SER 71 Cb 0.07 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 2o7k s SER 71 CO 0.47 0.11 -0.10 0.27 1.20 0.00 0.00 173.24 175.19 2o7k s ILE 72 N -1.64 0.83 0.40 6.45 -4.36 -1.26 -4.04 121.20 117.58 2o7k s ILE 72 Ca 0.26 -1.50 -0.26 0.00 -0.26 0.00 0.00 60.65 58.90 2o7k s ILE 72 Cb -0.10 -1.18 -0.09 0.00 1.25 0.00 0.00 42.46 42.35 2o7k s ILE 72 CO 0.18 -0.51 1.26 -2.16 0.24 0.00 0.00 174.94 173.95 2o7k s PRO 73 N -2.49 4.03 -0.02 0.37 0.04 -1.26 -4.88 135.00 130.78 2o7k s PRO 73 Ca 0.01 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.14 2o7k s PRO 73 Cb -0.05 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2o7k s PRO 73 CO -0.00 -0.41 -0.08 0.99 0.04 0.00 0.00 177.00 177.54 2o7k s THR 74 N -1.29 0.69 -0.09 1.26 2.01 -1.22 -1.15 115.64 115.85 2o7k s THR 74 Ca 0.56 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2o7k s THR 74 Cb -0.36 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.54 2o7k s THR 74 CO 0.46 0.22 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.67 2o7k s LEU 75 N 0.16 1.85 -0.08 4.42 1.43 0.48 -1.59 118.68 125.35 2o7k s LEU 75 Ca -0.02 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2o7k s LEU 75 Cb -0.07 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 2o7k s LEU 75 CO 0.00 0.08 -0.23 -0.63 0.23 0.00 0.00 176.35 175.80 2o7k s ILE 76 N 0.58 1.96 -0.24 -0.59 1.01 -0.82 -0.48 121.20 122.62 2o7k s ILE 76 Ca -0.15 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.35 2o7k s ILE 76 Cb -0.17 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 2o7k s ILE 76 CO 0.05 0.54 0.46 -0.69 0.00 0.00 0.00 174.94 175.31 2o7k s VAL 77 N 0.17 5.12 -0.07 2.92 1.01 -0.10 -1.11 120.40 128.35 2o7k s VAL 77 Ca -0.13 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 2o7k s VAL 77 Cb -0.16 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2o7k s VAL 77 CO 0.06 0.15 0.09 -0.36 0.00 0.00 0.00 175.10 175.04 2o7k s PHE 78 N 1.92 3.37 -0.21 5.22 0.40 0.19 -0.43 117.98 128.44 2o7k s PHE 78 Ca 0.20 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2o7k s PHE 78 Cb -0.15 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.61 2o7k s PHE 78 CO 0.09 0.60 -0.00 0.21 0.70 0.00 0.00 175.22 176.81 2o7k s LYS 79 N -1.28 1.07 -1.27 0.44 2.36 0.12 -0.66 119.74 120.53 2o7k s LYS 79 Ca 0.18 -0.67 -0.13 0.00 -2.55 0.00 0.00 55.97 52.80 2o7k s LYS 79 Cb -0.12 -2.32 0.00 0.00 -1.05 0.00 0.00 37.83 34.34 2o7k s LYS 79 CO 0.08 -0.62 0.61 -0.25 1.55 0.00 0.00 175.35 176.71 2o7k n ASP 80 N 4.89 -2.94 0.00 1.43 8.00 0.20 -1.38 116.55 126.74 2o7k n ASP 80 Ca -0.10 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.35 2o7k n ASP 80 Cb 0.46 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.54 2o7k n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o7k n GLY 81 N -1.87 1.31 3.36 0.44 0.00 -1.12 -4.76 105.19 102.55 2o7k n GLY 81 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2o7k n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o7k s GLN 82 N -0.12 2.73 0.02 1.61 -1.52 -0.48 -4.92 119.66 116.97 2o7k s GLN 82 Ca 0.00 -0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 52.32 2o7k s GLN 82 Cb 0.00 -2.34 -0.06 0.00 -0.22 0.00 0.00 33.01 30.40 2o7k s GLN 82 CO 0.00 0.42 1.37 -1.25 -0.25 0.00 0.00 175.29 175.58 2o7k s PRO 83 N -0.22 4.30 -0.00 2.91 0.04 -1.26 0.14 135.00 140.91 2o7k s PRO 83 Ca -0.01 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2o7k s PRO 83 Cb -0.13 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2o7k s PRO 83 CO 0.03 -0.52 0.07 1.33 0.04 0.00 0.00 177.00 177.95 2o7k n VAL 84 N 4.50 0.00 -3.68 -0.36 0.24 0.42 -4.92 118.33 114.54 2o7k n VAL 84 Ca 0.12 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.16 2o7k n VAL 84 Cb 0.44 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 2o7k n VAL 84 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2o7k s ASP 85 N -2.01 -0.19 -0.04 -1.34 -1.08 -1.16 -4.99 116.67 105.86 2o7k s ASP 85 Ca -0.00 -0.26 -0.03 0.00 -0.52 0.00 0.00 52.55 51.74 2o7k s ASP 85 Cb 0.02 0.43 0.02 0.00 -1.46 0.00 0.00 42.92 41.93 2o7k s ASP 85 CO 0.10 -0.77 0.10 -0.75 0.52 0.00 0.00 175.17 174.38 2o7k s LYS 86 N -3.35 0.08 -0.05 4.34 2.20 -1.26 -0.93 119.74 120.78 2o7k s LYS 86 Ca 0.00 0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 2o7k s LYS 86 Cb 0.01 -0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2o7k s LYS 86 CO -0.09 -0.09 -0.12 0.08 -0.36 0.00 0.00 175.35 174.77 2o7k s VAL 87 N 0.57 1.10 0.08 4.02 1.01 0.37 -4.99 120.40 122.56 2o7k s VAL 87 Ca -0.04 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.53 2o7k s VAL 87 Cb -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2o7k s VAL 87 CO -0.02 0.34 -0.21 -0.69 0.00 0.00 0.00 175.10 174.51 2o7k s VAL 88 N 0.40 2.59 0.13 2.92 1.01 -1.26 -0.39 120.40 125.81 2o7k s VAL 88 Ca -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2o7k s VAL 88 Cb -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2o7k s VAL 88 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2o7k n GLY 89 N 1.21 -1.73 3.75 4.51 0.00 -0.30 -4.85 105.19 107.77 2o7k n GLY 89 Ca -0.16 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 2o7k n GLY 89 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2o7k n PHE 90 N -2.47 2.70 -3.82 1.61 7.35 -1.26 -4.87 117.46 116.70 2o7k n PHE 90 Ca -0.00 0.48 -0.12 0.00 -0.76 0.00 0.00 57.45 57.04 2o7k n PHE 90 Cb 0.23 -2.48 -0.12 0.00 0.35 0.00 0.00 39.48 37.46 2o7k n PHE 90 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2o7k s GLN 91 N -2.08 0.22 0.60 -4.13 -1.52 -1.26 -5.15 119.66 106.33 2o7k s GLN 91 Ca 0.55 0.14 -0.16 0.00 -1.95 0.00 0.00 55.36 53.94 2o7k s GLN 91 Cb -0.50 0.10 -0.03 0.00 -0.22 0.00 0.00 33.01 32.36 2o7k s GLN 91 CO 0.62 -0.03 1.08 -2.14 -0.25 0.00 0.00 175.29 174.57 2o7k s PRO 92 N -0.10 3.22 0.33 2.91 0.02 -1.26 -4.88 135.00 135.23 2o7k s PRO 92 Ca -0.02 1.33 0.07 0.00 0.02 0.00 0.00 61.00 62.41 2o7k s PRO 92 Cb -0.02 -2.01 0.77 0.00 0.02 0.00 0.00 34.50 33.26 2o7k s PRO 92 CO 0.00 -0.91 1.83 -0.22 -0.33 0.00 0.00 177.00 177.37 2o7k h LYS 93 N 0.53 0.73 -0.79 5.54 3.11 -2.00 -1.37 116.57 122.32 2o7k h LYS 93 Ca -0.48 -0.04 0.05 0.00 -2.81 0.00 0.00 60.65 57.37 2o7k h LYS 93 Cb 1.23 -0.16 -0.05 0.00 -1.00 0.00 0.00 32.23 32.25 2o7k h LYS 93 CO 0.56 0.48 0.49 0.93 -2.81 0.00 0.00 179.45 179.10 2o7k h GLU 94 N 0.75 0.89 -0.06 1.90 3.07 -1.99 -0.71 114.58 118.42 2o7k h GLU 94 Ca 0.51 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.19 2o7k h GLU 94 Cb 0.80 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 2o7k h GLU 94 CO -0.28 0.59 -0.55 -0.91 -1.40 0.00 0.00 179.01 176.46 2o7k h ASN 95 N 0.92 0.20 -0.01 1.42 2.35 -1.63 -2.54 115.58 116.28 2o7k h ASN 95 Ca 0.33 -0.10 -0.23 0.00 -0.55 0.00 0.00 56.30 55.75 2o7k h ASN 95 Cb 0.10 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.43 2o7k h ASN 95 CO -0.15 0.71 -0.90 -0.07 -1.65 0.00 0.00 177.43 175.37 2o7k h LEU 96 N 0.14 0.81 -0.93 1.61 3.38 -1.09 -2.93 115.31 116.30 2o7k h LEU 96 Ca -0.00 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.23 2o7k h LEU 96 Cb 1.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2o7k h LEU 96 CO 0.08 1.44 0.55 0.00 0.09 0.00 0.00 178.44 180.60 2o7k h ALA 97 N 0.39 1.18 0.03 1.53 0.00 -1.15 -2.08 119.26 119.16 2o7k h ALA 97 Ca -0.11 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2o7k h ALA 97 Cb 1.56 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2o7k h ALA 97 CO 0.18 0.65 -0.07 1.05 0.00 0.00 0.00 179.25 181.05 2o7k h GLU 98 N 1.28 -0.14 -0.82 0.00 9.09 -1.46 -0.64 114.58 121.90 2o7k h GLU 98 Ca 0.33 0.01 0.11 0.00 0.05 0.00 0.00 59.36 59.86 2o7k h GLU 98 Cb -0.04 0.03 -0.06 0.00 -1.65 0.00 0.00 28.75 27.03 2o7k h GLU 98 CO -0.06 -0.09 0.53 0.28 0.05 0.00 0.00 179.01 179.72 2o7k h VAL 99 N -0.14 0.92 -0.07 -1.06 2.07 -1.25 -1.92 116.25 114.80 2o7k h VAL 99 Ca 0.02 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2o7k h VAL 99 Cb 0.16 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2o7k h VAL 99 CO -0.05 0.13 -0.13 -0.07 0.02 0.00 0.00 177.57 177.47 2o7k h LEU 100 N 0.72 0.23 -1.86 2.57 3.38 -0.86 -3.15 115.31 116.35 2o7k h LEU 100 Ca 0.38 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 57.92 2o7k h LEU 100 Cb 0.51 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2o7k h LEU 100 CO -0.15 0.74 0.36 0.44 0.09 0.00 0.00 178.44 179.92 2o7k h ASP 101 N -0.27 0.14 0.29 -0.43 3.32 -0.59 0.25 116.42 119.14 2o7k h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2o7k h ASP 101 Cb 0.70 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2o7k h ASP 101 CO 0.03 0.08 0.00 1.17 -1.72 0.00 0.00 179.24 178.80 2o7k n LYS 102 N -4.43 0.07 0.00 3.56 3.00 -0.77 -2.75 118.16 116.83 2o7k n LYS 102 Ca 0.09 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 2o7k n LYS 102 Cb 0.49 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.02 2o7k n LYS 102 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2o7k n HIS 103 N -1.41 0.00 1.20 5.64 8.25 0.84 -5.11 115.22 124.63 2o7k n HIS 103 Ca 0.04 -0.08 0.13 0.00 -0.26 0.00 0.00 57.72 57.54 2o7k n HIS 103 Cb 0.11 -0.01 0.27 0.00 1.12 0.00 0.00 29.99 31.48 2o7k n HIS 103 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26