#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s TYR 3 N 0.00 2.48 0.39 0.00 -0.85 -1.26 -5.08 117.35 113.03 3abl s TYR 3 Ca 0.00 -0.49 -0.27 0.00 -0.52 0.00 0.00 57.07 55.79 3abl s TYR 3 Cb 0.00 -1.49 -0.11 0.00 0.38 0.00 0.00 41.96 40.75 3abl s TYR 3 CO 0.00 0.51 1.38 -2.30 -1.52 0.00 0.00 175.55 173.62 3abl n PRO 4 N -0.89 2.31 -1.49 -3.49 -0.02 -1.26 -2.51 135.00 127.64 3abl n PRO 4 Ca -0.04 0.81 -0.17 0.00 -2.02 0.00 0.00 63.50 62.08 3abl n PRO 4 Cb 0.63 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 3abl n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3abl n MET 5 N 0.29 -1.20 -2.00 -0.52 2.81 -1.26 -4.97 117.12 110.26 3abl n MET 5 Ca 0.04 1.10 -0.40 0.00 -1.81 0.00 0.00 57.70 56.63 3abl n MET 5 Cb 0.39 -5.33 -0.00 0.00 -0.71 0.00 0.00 33.22 27.57 3abl n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3abl s GLN 6 N -3.44 3.97 -0.21 0.03 0.74 -1.05 -4.94 119.66 114.76 3abl s GLN 6 Ca 0.00 2.23 0.01 0.00 0.05 0.00 0.00 55.36 57.65 3abl s GLN 6 Cb 0.00 -2.79 -0.14 0.00 1.10 0.00 0.00 33.01 31.19 3abl s GLN 6 CO 0.00 -0.52 -0.19 1.28 -0.55 0.00 0.00 175.29 175.31 3abl n LEU 7 N 0.16 2.97 0.00 3.68 4.77 -1.26 -5.06 117.00 122.26 3abl n LEU 7 Ca 0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3abl n LEU 7 Cb 0.43 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3abl n LEU 7 CO 0.57 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 3abl n GLY 8 N 2.47 6.95 3.76 -0.72 0.00 -1.26 -5.11 105.19 111.29 3abl n GLY 8 Ca -0.38 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.30 3abl n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3abl s PHE 9 N 1.31 2.70 0.46 1.61 0.40 -1.26 -5.00 117.98 118.19 3abl s PHE 9 Ca 0.00 1.46 -0.23 0.00 -0.60 0.00 0.00 56.93 57.56 3abl s PHE 9 Cb 0.00 -3.58 -0.10 0.00 0.51 0.00 0.00 43.02 39.85 3abl s PHE 9 CO 0.00 -2.05 0.91 1.04 0.70 0.00 0.00 175.22 175.82 3abl n GLN 10 N -0.46 1.12 -1.91 0.44 6.02 -1.26 -4.90 117.38 116.44 3abl n GLN 10 Ca 0.07 0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 57.06 3abl n GLN 10 Cb 0.46 -1.97 -0.01 0.00 1.02 0.00 0.00 30.24 29.74 3abl n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3abl s ASP 11 N -0.87 6.51 0.43 1.08 -0.00 -1.26 -4.82 116.67 117.73 3abl s ASP 11 Ca 0.65 2.87 -0.26 0.00 -0.00 0.00 0.00 52.55 55.81 3abl s ASP 11 Cb -0.53 -2.65 -0.08 0.00 -0.00 0.00 0.00 42.92 39.66 3abl s ASP 11 CO 0.55 -0.77 1.35 0.00 -0.00 0.00 0.00 175.17 176.30 3abl s ALA 12 N -0.61 3.24 0.00 5.23 0.00 -1.26 -4.71 121.76 123.64 3abl s ALA 12 Ca 0.56 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3abl s ALA 12 Cb -0.44 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.15 3abl s ALA 12 CO 0.53 -0.97 0.07 2.41 0.00 0.00 0.00 175.76 177.80 3abl n THR 13 N -0.03 0.00 -4.07 0.00 -1.04 -0.64 -4.92 114.28 103.58 3abl n THR 13 Ca 0.04 -0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 3abl n THR 13 Cb 0.43 1.12 -0.11 0.00 -1.82 0.00 0.00 70.33 69.95 3abl n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3abl s SER 14 N -0.41 0.76 0.36 8.00 1.04 -1.25 -1.49 113.70 120.70 3abl s SER 14 Ca 0.00 -0.70 0.09 0.00 0.48 0.00 0.00 55.95 55.82 3abl s SER 14 Cb 0.00 0.08 0.81 0.00 0.10 0.00 0.00 66.02 67.01 3abl s SER 14 CO 0.00 -0.33 1.88 -0.65 0.98 0.00 0.00 173.24 175.12 3abl h PRO 15 N 4.02 0.68 -0.19 4.02 0.11 -1.95 -0.89 132.00 137.80 3abl h PRO 15 Ca -0.35 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 3abl h PRO 15 Cb 1.19 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3abl h PRO 15 CO 0.49 0.45 -0.30 0.82 -0.21 0.00 0.00 178.00 179.25 3abl h ILE 16 N 0.70 1.34 -0.96 4.15 1.08 -1.95 -1.04 117.51 120.83 3abl h ILE 16 Ca 0.43 -1.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 3abl h ILE 16 Cb 0.67 1.87 -0.05 0.00 -3.07 0.00 0.00 36.82 36.24 3abl h ILE 16 CO -0.19 0.46 0.64 -0.03 -0.69 0.00 0.00 178.15 178.34 3abl h MET 17 N 0.19 1.23 -0.52 2.37 4.05 -1.62 -0.53 114.93 120.09 3abl h MET 17 Ca 0.02 -0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.41 3abl h MET 17 Cb 0.88 -0.28 -0.05 0.00 -0.80 0.00 0.00 31.60 31.36 3abl h MET 17 CO 0.07 0.82 0.27 0.93 0.23 0.00 0.00 176.91 179.22 3abl h GLU 18 N 1.27 0.50 -0.96 0.39 5.08 -0.71 -1.46 114.58 118.69 3abl h GLU 18 Ca 0.36 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.77 3abl h GLU 18 Cb -0.09 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 28.97 3abl h GLU 18 CO -0.09 0.33 0.61 1.49 -1.00 0.00 0.00 179.01 180.35 3abl h GLU 19 N 0.52 1.03 -0.10 2.33 4.57 -0.58 -2.40 114.58 119.96 3abl h GLU 19 Ca 0.23 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3abl h GLU 19 Cb 0.14 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3abl h GLU 19 CO -0.16 0.68 -0.26 -0.07 -1.18 0.00 0.00 179.01 178.02 3abl h LEU 20 N 1.07 0.17 -0.37 1.64 3.38 -0.14 -1.63 115.31 119.43 3abl h LEU 20 Ca 0.44 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 3abl h LEU 20 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3abl h LEU 20 CO -0.20 0.44 0.08 -0.07 0.09 0.00 0.00 178.44 178.78 3abl h LEU 21 N 0.16 0.57 -0.56 1.67 3.38 -0.80 -0.83 115.31 118.90 3abl h LEU 21 Ca 0.02 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3abl h LEU 21 Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3abl h LEU 21 CO 0.04 0.67 -0.17 0.45 0.09 0.00 0.00 178.44 179.52 3abl h HIS 22 N 0.45 1.11 -0.37 1.13 3.86 -1.27 0.78 115.15 120.84 3abl h HIS 22 Ca 0.11 -0.25 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 3abl h HIS 22 Cb 0.33 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3abl h HIS 22 CO 0.02 1.06 -0.19 0.35 0.86 0.00 0.00 177.93 180.03 3abl h PHE 23 N 0.86 0.77 -0.11 2.45 3.04 -1.23 -1.62 116.94 121.10 3abl h PHE 23 Ca 0.12 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 3abl h PHE 23 Cb 0.73 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 3abl h PHE 23 CO 0.05 0.83 0.03 1.25 -2.02 0.00 0.00 178.31 178.45 3abl h HIS 24 N 0.62 0.18 -0.76 0.41 2.76 -0.97 -0.55 115.15 116.84 3abl h HIS 24 Ca 0.09 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.41 3abl h HIS 24 Cb 0.66 -0.05 -0.11 0.00 1.55 0.00 0.00 27.41 29.46 3abl h HIS 24 CO 0.03 0.33 0.19 -0.44 -1.30 0.00 0.00 177.93 176.74 3abl h ASP 25 N -0.02 0.01 -0.45 3.26 3.32 -0.77 0.95 116.42 122.73 3abl h ASP 25 Ca 0.04 0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3abl h ASP 25 Cb 0.24 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3abl h ASP 25 CO -0.00 -0.05 0.09 -0.74 -1.72 0.00 0.00 179.24 176.82 3abl h HIS 26 N 0.27 0.78 -0.18 4.55 -0.00 -1.09 -1.84 115.15 117.64 3abl h HIS 26 Ca 0.43 -0.10 -0.19 0.00 -0.00 0.00 0.00 60.37 60.51 3abl h HIS 26 Cb 0.75 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 3abl h HIS 26 CO -0.26 0.72 -0.65 1.15 -0.00 0.00 0.00 177.93 178.89 3abl h THR 27 N 0.61 1.31 -0.04 6.26 2.02 -0.85 -2.99 112.91 119.22 3abl h THR 27 Ca 0.14 -1.90 -0.10 0.00 0.77 0.00 0.00 66.41 65.32 3abl h THR 27 Cb 0.35 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3abl h THR 27 CO 0.01 0.60 -0.45 0.25 0.37 0.00 0.00 175.52 176.29 3abl h LEU 28 N 0.49 0.11 -0.53 2.58 5.85 -0.80 0.51 115.31 123.52 3abl h LEU 28 Ca -0.02 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3abl h LEU 28 Cb 1.24 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3abl h LEU 28 CO 0.13 0.55 0.32 -0.03 -0.34 0.00 0.00 178.44 179.07 3abl h MET 29 N 0.09 0.62 -0.18 1.25 4.05 -1.19 0.17 114.93 119.74 3abl h MET 29 Ca 0.00 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3abl h MET 29 Cb 0.84 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 3abl h MET 29 CO 0.06 0.41 0.11 0.82 0.23 0.00 0.00 176.91 178.54 3abl h ILE 30 N 0.64 1.07 -0.49 1.77 2.04 -1.34 -1.52 117.51 119.69 3abl h ILE 30 Ca 0.21 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.98 3abl h ILE 30 Cb 0.01 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3abl h ILE 30 CO -0.09 0.07 0.05 0.58 0.00 0.00 0.00 178.15 178.76 3abl h VAL 31 N 0.21 0.67 -0.43 1.67 2.07 -0.73 -0.89 116.25 118.83 3abl h VAL 31 Ca 0.06 -0.06 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 3abl h VAL 31 Cb 0.02 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3abl h VAL 31 CO -0.01 0.03 -0.27 -0.26 0.02 0.00 0.00 177.57 177.08 3abl h PHE 32 N 0.17 1.06 -0.32 1.57 0.05 -0.46 -1.53 116.94 117.49 3abl h PHE 32 Ca 0.25 -0.27 -0.03 0.00 3.82 0.00 0.00 57.97 61.74 3abl h PHE 32 Cb 0.35 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 3abl h PHE 32 CO -0.26 1.07 0.08 1.25 -0.18 0.00 0.00 178.31 180.27 3abl h LEU 33 N 0.78 0.48 -0.28 1.54 5.85 -0.93 -0.56 115.31 122.19 3abl h LEU 33 Ca 0.09 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 3abl h LEU 33 Cb 0.84 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 3abl h LEU 33 CO 0.07 0.58 -0.28 0.40 -0.34 0.00 0.00 178.44 178.87 3abl h ILE 34 N 0.36 1.30 -0.05 4.05 2.04 -1.11 0.17 117.51 124.27 3abl h ILE 34 Ca 0.10 -1.45 -0.15 0.00 1.00 0.00 0.00 64.86 64.35 3abl h ILE 34 Cb 0.28 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3abl h ILE 34 CO 0.00 0.46 -0.66 0.77 0.00 0.00 0.00 178.15 178.72 3abl h SER 35 N 0.42 0.23 0.37 1.72 4.64 -1.27 -1.20 113.55 118.45 3abl h SER 35 Ca 0.04 -0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.06 3abl h SER 35 Cb 0.85 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3abl h SER 35 CO 0.07 0.82 -0.65 0.77 -0.87 0.00 0.00 176.83 176.97 3abl h SER 36 N 0.14 0.31 -0.36 4.97 4.64 -0.93 -0.25 113.55 122.07 3abl h SER 36 Ca -0.01 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3abl h SER 36 Cb 1.19 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3abl h SER 36 CO 0.10 0.88 0.23 0.25 -0.87 0.00 0.00 176.83 177.41 3abl h LEU 37 N 0.19 0.41 -0.83 5.97 5.85 -0.51 0.37 115.31 126.77 3abl h LEU 37 Ca -0.01 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3abl h LEU 37 Cb 1.18 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3abl h LEU 37 CO 0.10 0.32 0.55 0.58 -0.34 0.00 0.00 178.44 179.64 3abl h VAL 38 N 0.47 1.20 -0.34 1.05 2.07 -1.08 -0.30 116.25 119.33 3abl h VAL 38 Ca 0.13 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 3abl h VAL 38 Cb -0.03 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3abl h VAL 38 CO -0.03 0.20 -0.36 0.25 0.02 0.00 0.00 177.57 177.65 3abl h LEU 39 N 1.11 0.82 0.33 2.57 5.85 -0.70 -0.28 115.31 125.00 3abl h LEU 39 Ca 0.31 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3abl h LEU 39 Cb -0.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.69 3abl h LEU 39 CO -0.07 1.09 -0.16 0.22 -0.34 0.00 0.00 178.44 179.18 3abl h TYR 40 N 0.64 -0.41 -0.88 1.25 3.20 -0.68 -1.08 116.97 119.01 3abl h TYR 40 Ca 0.06 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.11 3abl h TYR 40 Cb 0.91 0.13 -0.11 0.00 1.54 0.00 0.00 36.73 39.20 3abl h TYR 40 CO 0.05 -0.07 0.43 0.82 -1.64 0.00 0.00 178.16 177.75 3abl h ILE 41 N -0.90 0.60 -0.15 1.81 2.04 -1.08 0.10 117.51 119.94 3abl h ILE 41 Ca -0.04 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.69 3abl h ILE 41 Cb 0.52 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 3abl h ILE 41 CO 0.07 0.09 -0.21 0.40 0.00 0.00 0.00 178.15 178.50 3abl h ILE 42 N 0.52 0.46 -0.09 -0.67 2.04 -0.87 -0.18 117.51 118.72 3abl h ILE 42 Ca 0.52 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.30 3abl h ILE 42 Cb 0.87 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3abl h ILE 42 CO -0.44 0.00 -0.29 0.77 0.00 0.00 0.00 178.15 178.19 3abl h SER 43 N -0.26 0.17 -0.37 1.72 4.64 0.31 -2.59 113.55 117.17 3abl h SER 43 Ca 0.11 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3abl h SER 43 Cb 0.42 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3abl h SER 43 CO -0.30 0.46 0.13 0.25 -0.87 0.00 0.00 176.83 176.50 3abl h LEU 44 N 0.15 0.52 -2.08 5.97 5.85 -0.32 -2.91 115.31 122.49 3abl h LEU 44 Ca 0.02 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 3abl h LEU 44 Cb 0.60 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 3abl h LEU 44 CO 0.04 0.56 -0.05 0.24 -0.34 0.00 0.00 178.44 178.89 3abl h MET 45 N 0.45 0.00 -0.04 1.25 2.86 -0.66 -3.04 114.93 115.75 3abl h MET 45 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3abl h MET 45 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3abl h MET 45 CO -0.01 0.05 0.00 1.28 1.06 0.00 0.00 176.91 179.30 3abl n LEU 46 N -4.13 2.78 -1.00 1.22 4.77 -1.09 -4.51 117.00 115.04 3abl n LEU 46 Ca -0.03 -1.02 -0.01 0.00 -0.03 0.00 0.00 56.01 54.92 3abl n LEU 46 Cb 0.14 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.42 3abl n LEU 46 CO 0.32 0.48 0.59 0.35 -1.33 0.00 0.00 177.39 177.80 3abl n THR 47 N 1.19 2.45 -4.29 -5.08 -2.24 -1.11 -4.99 114.28 100.21 3abl n THR 47 Ca 0.13 -2.92 -0.18 0.00 -2.27 0.00 0.00 64.05 58.81 3abl n THR 47 Cb 0.53 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.32 3abl n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3abl s THR 48 N -3.25 0.61 -1.59 4.28 -1.32 -1.26 -5.02 115.64 108.10 3abl s THR 48 Ca 0.43 -0.36 0.30 0.00 -1.21 0.00 0.00 61.69 60.85 3abl s THR 48 Cb 0.40 -0.52 0.56 0.00 -1.51 0.00 0.00 72.50 71.42 3abl s THR 48 CO -0.03 0.15 2.02 0.29 -2.21 0.00 0.00 174.62 174.84 3abl n LYS 49 N 2.84 0.60 -2.39 7.08 4.76 -1.26 -4.88 118.16 124.91 3abl n LYS 49 Ca -0.14 -0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 54.82 3abl n LYS 49 Cb 0.57 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.23 3abl n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3abl s LEU 50 N -2.46 4.50 0.21 -0.35 1.43 -1.26 -5.04 118.68 115.71 3abl s LEU 50 Ca 0.31 2.31 0.08 0.00 -1.03 0.00 0.00 54.13 55.80 3abl s LEU 50 Cb 0.20 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 3abl s LEU 50 CO 0.45 -0.28 -0.15 0.42 0.23 0.00 0.00 176.35 177.02 3abl s THR 51 N -0.72 1.79 -0.40 5.49 -4.23 -1.26 -5.10 115.64 111.21 3abl s THR 51 Ca 0.48 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3abl s THR 51 Cb -0.33 -2.06 0.18 0.00 1.34 0.00 0.00 72.50 71.62 3abl s THR 51 CO 0.41 -0.58 0.59 -2.28 -0.54 0.00 0.00 174.62 172.22 3abl s HIS 52 N -2.94 -1.54 -2.00 3.99 5.04 -1.26 -5.05 115.29 111.54 3abl s HIS 52 Ca 0.23 0.15 0.17 0.00 -1.54 0.00 0.00 55.06 54.07 3abl s HIS 52 Cb -0.01 0.21 0.22 0.00 0.04 0.00 0.00 32.58 33.05 3abl s HIS 52 CO 0.07 -1.14 1.14 0.25 -2.34 0.00 0.00 174.74 172.72 3abl n THR 53 N 4.45 0.25 -2.11 0.89 -2.24 -1.26 -5.00 114.28 109.26 3abl n THR 53 Ca 0.11 -0.62 -0.27 0.00 -2.27 0.00 0.00 64.05 60.99 3abl n THR 53 Cb 0.55 1.15 0.09 0.00 -2.10 0.00 0.00 70.33 70.02 3abl n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3abl s SER 54 N -1.34 4.48 0.20 3.42 1.04 -1.26 -4.96 113.70 115.28 3abl s SER 54 Ca 0.24 0.46 -0.33 0.00 0.48 0.00 0.00 55.95 56.81 3abl s SER 54 Cb 0.16 -0.97 -0.14 0.00 0.10 0.00 0.00 66.02 65.17 3abl s SER 54 CO 0.22 -1.85 1.53 0.41 0.98 0.00 0.00 173.24 174.53 3abl n THR 55 N -3.13 0.38 -4.33 2.02 -1.04 -1.26 -4.99 114.28 101.92 3abl n THR 55 Ca 0.09 -0.09 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3abl n THR 55 Cb 0.60 -1.55 -0.10 0.00 -1.82 0.00 0.00 70.33 67.46 3abl n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3abl s MET 56 N 0.39 3.16 0.01 -2.82 1.00 -1.26 -5.11 119.30 114.67 3abl s MET 56 Ca 0.74 -0.41 -0.28 0.00 0.00 0.00 0.00 55.69 55.74 3abl s MET 56 Cb -0.65 -2.85 -0.04 0.00 0.00 0.00 0.00 34.83 31.28 3abl s MET 56 CO 0.42 0.62 0.90 0.34 0.00 0.00 0.00 175.02 177.30 3abl s ASP 57 N -0.64 7.30 -0.01 3.03 2.15 -1.26 -4.97 116.67 122.27 3abl s ASP 57 Ca 0.10 1.56 0.13 0.00 0.43 0.00 0.00 52.55 54.78 3abl s ASP 57 Cb -0.12 -2.53 -0.17 0.00 -0.30 0.00 0.00 42.92 39.80 3abl s ASP 57 CO 0.02 -0.17 0.43 0.00 -0.17 0.00 0.00 175.17 175.28 3abl n ALA 58 N 3.59 3.11 -3.09 3.66 0.00 -1.26 -4.79 120.51 121.72 3abl n ALA 58 Ca 0.03 -0.34 -0.45 0.00 0.00 0.00 0.00 53.44 52.68 3abl n ALA 58 Cb 0.51 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 3abl n ALA 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3abl s GLN 59 N -2.56 3.29 0.00 0.00 2.00 -1.26 -2.63 119.66 118.50 3abl s GLN 59 Ca 0.00 -1.62 0.00 0.00 -2.00 0.00 0.00 55.36 51.74 3abl s GLN 59 Cb 0.09 -4.46 0.00 0.00 0.80 0.00 0.00 33.01 29.44 3abl s GLN 59 CO 0.54 -1.57 0.00 -0.85 -0.50 0.00 0.00 175.29 172.91 3abl n GLU 60 N 6.02 0.00 0.18 1.67 -0.00 -1.26 -4.90 120.64 122.34 3abl n GLU 60 Ca 0.04 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.22 3abl n GLU 60 Cb 0.45 0.00 0.34 0.00 -0.00 0.00 0.00 31.44 32.23 3abl n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3abl h VAL 61 N 0.00 1.20 0.00 3.84 3.04 -1.87 -2.79 116.25 119.67 3abl h VAL 61 Ca 0.00 -1.45 -0.06 0.00 -1.01 0.00 0.00 66.70 64.18 3abl h VAL 61 Cb 0.00 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 3abl h VAL 61 CO 0.00 0.40 -0.30 -0.33 -1.01 0.00 0.00 177.57 176.33 3abl h GLU 62 N 0.00 0.00 -0.34 4.17 5.08 -1.85 -2.03 114.58 119.61 3abl h GLU 62 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3abl h GLU 62 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3abl h GLU 62 CO 0.05 0.30 0.07 1.15 -1.00 0.00 0.00 179.01 179.59 3abl h THR 63 N 0.00 1.23 -0.40 1.13 2.02 -1.79 -2.23 112.91 112.87 3abl h THR 63 Ca -0.00 -0.79 -0.10 0.00 0.77 0.00 0.00 66.41 66.29 3abl h THR 63 Cb 0.74 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3abl h THR 63 CO 0.04 0.26 -0.13 0.40 0.37 0.00 0.00 175.52 176.46 3abl h ILE 64 N 0.39 1.28 -0.39 3.11 1.08 -1.42 -0.02 117.51 121.55 3abl h ILE 64 Ca 0.10 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 3abl h ILE 64 Cb 0.33 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 3abl h ILE 64 CO 0.00 0.42 0.00 -2.67 -0.69 0.00 0.00 178.15 175.21 3abl n TRP 65 N -4.30 1.02 -0.05 1.37 2.14 -0.82 -1.58 117.44 115.22 3abl n TRP 65 Ca -0.01 -0.39 -0.11 0.00 2.07 0.00 0.00 57.50 59.06 3abl n TRP 65 Cb 0.39 -0.22 -0.04 0.00 -0.81 0.00 0.00 31.31 30.62 3abl n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3abl n THR 66 N 0.54 0.59 -0.05 -1.67 -1.04 -0.85 -4.57 114.28 107.23 3abl n THR 66 Ca 0.16 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 3abl n THR 66 Cb 0.66 -1.49 -0.07 0.00 -1.82 0.00 0.00 70.33 67.61 3abl n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3abl h ILE 67 N -0.31 1.36 0.16 12.58 1.08 -0.87 -2.58 117.51 128.93 3abl h ILE 67 Ca -0.26 -1.60 0.02 0.00 -0.39 0.00 0.00 64.86 62.62 3abl h ILE 67 Cb 1.26 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 36.97 3abl h ILE 67 CO -0.14 0.48 -0.32 -0.07 -0.69 0.00 0.00 178.15 177.41 3abl h LEU 68 N 0.12 -0.91 -1.27 1.44 4.07 -1.51 -1.04 115.31 116.21 3abl h LEU 68 Ca 0.00 0.10 0.12 0.00 0.08 0.00 0.00 57.88 58.18 3abl h LEU 68 Cb 0.94 0.34 -0.06 0.00 1.08 0.00 0.00 40.66 42.95 3abl h LEU 68 CO 0.07 -0.42 0.56 -0.65 -1.08 0.00 0.00 178.44 176.92 3abl h PRO 69 N -0.57 0.74 -0.44 1.13 0.11 -1.78 0.96 132.00 132.15 3abl h PRO 69 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3abl h PRO 69 Cb 0.58 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3abl h PRO 69 CO -0.16 0.49 0.28 0.00 -0.21 0.00 0.00 178.00 178.40 3abl h ALA 70 N 1.58 0.56 0.06 -0.75 0.00 -1.01 -1.15 119.26 118.56 3abl h ALA 70 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3abl h ALA 70 Cb 0.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3abl h ALA 70 CO -0.18 0.03 -0.05 0.82 0.00 0.00 0.00 179.25 179.87 3abl h ILE 71 N 0.60 0.89 -0.74 0.00 2.04 -0.28 -1.72 117.51 118.29 3abl h ILE 71 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 3abl h ILE 71 Cb -0.04 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3abl h ILE 71 CO -0.03 0.00 0.43 0.40 0.00 0.00 0.00 178.15 178.95 3abl h ILE 72 N -0.12 0.99 -0.28 -0.67 2.04 -0.60 -1.99 117.51 116.89 3abl h ILE 72 Ca -0.00 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3abl h ILE 72 Cb 0.11 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 3abl h ILE 72 CO -0.01 0.14 -0.00 -0.07 0.00 0.00 0.00 178.15 178.21 3abl h LEU 73 N 0.79 -0.12 -0.93 1.44 3.38 -1.09 -1.01 115.31 117.77 3abl h LEU 73 Ca 0.33 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.45 3abl h LEU 73 Cb 0.19 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3abl h LEU 73 CO -0.18 -0.03 0.58 0.40 0.09 0.00 0.00 178.44 179.30 3abl h ILE 74 N 0.08 1.00 0.00 1.22 2.04 -0.95 0.23 117.51 121.12 3abl h ILE 74 Ca 0.13 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3abl h ILE 74 Cb 0.18 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3abl h ILE 74 CO -0.23 0.18 -0.05 -0.07 0.00 0.00 0.00 178.15 177.99 3abl h LEU 75 N 1.00 0.00 0.01 1.44 4.07 -0.56 -1.55 115.31 119.73 3abl h LEU 75 Ca 0.43 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 58.22 3abl h LEU 75 Cb 0.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 3abl h LEU 75 CO -0.21 0.05 -0.89 0.40 -1.08 0.00 0.00 178.44 176.70 3abl h ILE 76 N 0.00 1.20 -0.95 1.22 2.04 -0.32 -3.40 117.51 117.30 3abl h ILE 76 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.61 3abl h ILE 76 Cb 0.25 2.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 3abl h ILE 76 CO 0.01 0.45 0.61 0.00 0.00 0.00 0.00 178.15 179.22 3abl h ALA 77 N -0.28 1.21 0.84 1.87 0.00 -0.25 -2.04 119.26 120.60 3abl h ALA 77 Ca -0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3abl h ALA 77 Cb 1.27 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3abl h ALA 77 CO -0.11 0.62 -0.45 -0.07 0.00 0.00 0.00 179.25 179.24 3abl h LEU 78 N 1.30 -1.11 -1.32 0.00 4.07 -1.51 0.60 115.31 117.33 3abl h LEU 78 Ca 0.35 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 58.29 3abl h LEU 78 Cb -0.12 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3abl h LEU 78 CO -0.07 -0.73 -0.30 1.55 -1.08 0.00 0.00 178.44 177.81 3abl h PRO 79 N -1.19 0.07 -0.22 1.13 0.13 -1.77 -2.09 132.00 128.07 3abl h PRO 79 Ca -0.11 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 3abl h PRO 79 Cb 0.93 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 3abl h PRO 79 CO 0.15 0.36 -0.08 1.03 -0.23 0.00 0.00 178.00 179.23 3abl h SER 80 N 0.06 -0.28 1.14 1.44 0.87 -0.57 -2.33 113.55 113.88 3abl h SER 80 Ca 0.01 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.49 3abl h SER 80 Cb 0.56 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 3abl h SER 80 CO 0.04 -0.11 -0.72 -0.07 -0.53 0.00 0.00 176.83 175.44 3abl h LEU 81 N -0.04 0.00 -0.21 2.23 3.38 0.38 -2.01 115.31 119.04 3abl h LEU 81 Ca 0.11 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3abl h LEU 81 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3abl h LEU 81 CO -0.25 0.72 0.02 -0.09 0.09 0.00 0.00 178.44 178.94 3abl h ARG 82 N 0.00 0.09 -0.67 1.13 2.43 -1.27 -2.01 114.38 114.09 3abl h ARG 82 Ca -0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3abl h ARG 82 Cb 1.49 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 3abl h ARG 82 CO 0.09 0.06 0.13 0.82 -1.51 0.00 0.00 179.97 179.56 3abl h ILE 83 N 0.10 1.26 -0.08 1.20 2.04 -1.32 -1.54 117.51 119.17 3abl h ILE 83 Ca 0.10 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.99 3abl h ILE 83 Cb 0.10 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3abl h ILE 83 CO -0.14 0.38 -0.28 0.25 0.00 0.00 0.00 178.15 178.35 3abl h LEU 84 N 1.02 -0.87 -1.06 1.44 5.85 -1.10 -1.02 115.31 119.57 3abl h LEU 84 Ca 0.20 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.96 3abl h LEU 84 Cb 0.42 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3abl h LEU 84 CO 0.01 -0.34 -0.45 1.88 -0.34 0.00 0.00 178.44 179.20 3abl h TYR 85 N -0.38 0.00 -0.28 1.25 -1.99 -1.21 -2.80 116.97 111.56 3abl h TYR 85 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3abl h TYR 85 Cb 0.51 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 3abl h TYR 85 CO -0.35 0.45 0.18 0.52 -0.00 0.00 0.00 178.16 178.95 3abl h MET 86 N 0.00 0.36 0.00 4.88 2.86 -0.67 -0.20 114.93 122.15 3abl h MET 86 Ca -0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3abl h MET 86 Cb 0.84 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 3abl h MET 86 CO 0.06 0.24 -0.00 0.52 1.06 0.00 0.00 176.91 178.78 3abl h MET 87 N 0.37 0.00 -0.01 1.72 2.86 -0.95 -2.36 114.93 116.56 3abl h MET 87 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3abl h MET 87 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3abl h MET 87 CO -0.03 0.00 -0.54 -3.47 1.06 0.00 0.00 176.91 173.93 3abl n ASP 88 N -3.09 1.35 -4.75 1.22 -0.08 -0.14 -4.95 116.55 106.11 3abl n ASP 88 Ca -0.03 -1.08 -0.36 0.00 -1.51 0.00 0.00 54.79 51.81 3abl n ASP 88 Cb 0.09 0.48 0.03 0.00 2.34 0.00 0.00 41.12 44.06 3abl n ASP 88 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3abl s GLU 89 N -2.67 2.98 0.32 -0.67 2.02 -0.89 -4.93 118.70 114.86 3abl s GLU 89 Ca 0.17 1.81 -0.29 0.00 0.02 0.00 0.00 54.97 56.67 3abl s GLU 89 Cb 0.18 -1.93 -0.11 0.00 0.10 0.00 0.00 34.13 32.36 3abl s GLU 89 CO 0.64 -1.19 1.58 0.42 0.02 0.00 0.00 175.26 176.73 3abl s ILE 90 N -1.62 2.01 0.00 -1.63 1.01 -1.26 -4.95 121.20 114.76 3abl s ILE 90 Ca 0.77 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3abl s ILE 90 Cb -0.30 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.16 3abl s ILE 90 CO 0.33 0.00 0.21 -0.46 0.00 0.00 0.00 174.94 175.02 3abl n ASN 91 N 1.75 0.37 -2.96 3.58 2.04 -1.26 -5.10 115.26 113.68 3abl n ASN 91 Ca 0.07 -1.02 -0.07 0.00 -0.44 0.00 0.00 54.58 53.11 3abl n ASN 91 Cb 0.38 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.63 3abl n ASN 91 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3abl n ASN 92 N -0.01 -7.78 -4.80 0.53 3.02 -1.26 -4.98 115.26 99.98 3abl n ASN 92 Ca 0.00 0.29 -0.33 0.00 -0.03 0.00 0.00 54.58 54.51 3abl n ASN 92 Cb 0.18 -5.18 0.02 0.00 -0.61 0.00 0.00 39.78 34.19 3abl n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3abl s PRO 93 N -2.78 3.16 0.00 3.52 0.04 -1.26 -4.85 135.00 132.83 3abl s PRO 93 Ca 0.17 1.22 0.23 0.00 0.04 0.00 0.00 61.00 62.66 3abl s PRO 93 Cb -0.04 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.55 3abl s PRO 93 CO 0.77 -0.94 1.14 0.43 0.04 0.00 0.00 177.00 178.44 3abl n SER 94 N -2.23 2.25 -3.63 6.66 7.64 -0.15 -4.97 113.62 119.20 3abl n SER 94 Ca 0.09 -1.63 -0.13 0.00 1.01 0.00 0.00 58.87 58.22 3abl n SER 94 Cb 0.53 0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 64.01 3abl n SER 94 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3abl s LEU 95 N -2.36 -0.77 -0.05 -3.43 2.96 -1.25 -5.08 118.68 108.70 3abl s LEU 95 Ca 0.21 1.44 0.05 0.00 -0.22 0.00 0.00 54.13 55.61 3abl s LEU 95 Cb 0.19 2.43 -0.01 0.00 0.50 0.00 0.00 46.19 49.30 3abl s LEU 95 CO 0.50 -0.24 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.19 3abl s THR 96 N 0.59 1.71 -0.01 3.68 2.01 -1.26 -0.50 115.64 121.86 3abl s THR 96 Ca -0.02 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.17 3abl s THR 96 Cb -0.05 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3abl s THR 96 CO -0.03 0.48 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.50 3abl s VAL 97 N -0.04 1.50 -0.01 3.82 1.01 -0.24 -4.40 120.40 122.04 3abl s VAL 97 Ca -0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3abl s VAL 97 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3abl s VAL 97 CO 0.03 0.41 -0.07 -0.54 0.00 0.00 0.00 175.10 174.93 3abl s LYS 98 N -0.47 2.57 -0.02 2.72 1.02 -0.31 -0.19 119.74 125.05 3abl s LYS 98 Ca 0.07 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.42 3abl s LYS 98 Cb -0.07 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3abl s LYS 98 CO -0.01 0.61 -0.20 -0.08 -0.92 0.00 0.00 175.35 174.76 3abl s THR 99 N -0.96 1.58 -0.17 2.17 -1.32 0.75 -1.07 115.64 116.62 3abl s THR 99 Ca 0.16 -0.84 -0.00 0.00 -1.21 0.00 0.00 61.69 59.80 3abl s THR 99 Cb -0.11 -1.33 0.00 0.00 -1.51 0.00 0.00 72.50 69.55 3abl s THR 99 CO 0.06 0.45 -0.15 -0.04 -2.21 0.00 0.00 174.62 172.74 3abl s MET 100 N -0.33 3.20 0.40 7.08 1.00 0.11 -1.51 119.30 129.25 3abl s MET 100 Ca 0.04 -0.75 -0.24 0.00 0.00 0.00 0.00 55.69 54.74 3abl s MET 100 Cb -0.09 -2.67 -0.09 0.00 0.00 0.00 0.00 34.83 31.98 3abl s MET 100 CO 0.00 -0.05 1.07 0.20 0.00 0.00 0.00 175.02 176.24 3abl s GLY 101 N 0.99 2.77 0.13 -0.03 0.00 0.30 -1.07 107.32 110.41 3abl s GLY 101 Ca -0.02 0.75 -0.05 0.00 0.00 0.00 0.00 44.72 45.40 3abl s GLY 101 CO -0.03 1.20 0.16 0.30 0.00 0.00 0.00 173.10 174.73 3abl s HIS 102 N -1.60 0.58 -0.42 1.90 3.76 -0.13 -1.01 115.29 118.37 3abl s HIS 102 Ca 0.57 -0.97 -0.26 0.00 -0.15 0.00 0.00 55.06 54.25 3abl s HIS 102 Cb -0.24 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 33.22 3abl s HIS 102 CO 0.30 -0.59 0.97 -0.65 -0.85 0.00 0.00 174.74 173.91 3abl s GLN 103 N -3.99 3.71 -0.50 1.40 -0.21 -1.26 -1.32 119.66 117.49 3abl s GLN 103 Ca 0.18 0.44 0.03 0.00 0.02 0.00 0.00 55.36 56.03 3abl s GLN 103 Cb 0.06 -3.87 0.15 0.00 1.00 0.00 0.00 33.01 30.35 3abl s GLN 103 CO -0.01 -1.13 0.33 -1.58 -2.12 0.00 0.00 175.29 170.78 3abl s TRP 104 N 3.76 2.19 0.14 0.91 0.51 -1.26 -5.13 118.94 120.07 3abl s TRP 104 Ca 0.40 -2.65 -0.25 0.00 -2.12 0.00 0.00 56.10 51.48 3abl s TRP 104 Cb -0.10 -1.88 0.06 0.00 -0.81 0.00 0.00 33.47 30.74 3abl s TRP 104 CO 0.24 -0.73 0.93 1.52 -0.51 0.00 0.00 176.95 178.39 3abl s TYR 105 N -0.19 -0.17 0.03 -1.98 1.13 -0.43 -4.66 117.35 111.07 3abl s TYR 105 Ca 0.23 -0.13 0.02 0.00 -1.41 0.00 0.00 57.07 55.79 3abl s TYR 105 Cb -0.13 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 3abl s TYR 105 CO -0.09 -0.82 0.01 -1.58 -2.51 0.00 0.00 175.55 170.56 3abl s TRP 106 N -3.32 3.07 0.15 -3.49 0.52 -0.99 -0.95 118.94 113.93 3abl s TRP 106 Ca 0.11 0.06 0.10 0.00 0.02 0.00 0.00 56.10 56.39 3abl s TRP 106 Cb -0.02 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 3abl s TRP 106 CO 0.01 0.47 -0.21 -1.54 0.02 0.00 0.00 176.95 175.70 3abl s SER 107 N -1.79 3.66 0.11 2.95 1.04 -0.23 -0.80 113.70 118.63 3abl s SER 107 Ca 0.22 -0.71 0.10 0.00 0.48 0.00 0.00 55.95 56.04 3abl s SER 107 Cb -0.12 -0.40 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 3abl s SER 107 CO 0.13 0.15 -0.26 -0.31 0.98 0.00 0.00 173.24 173.93 3abl s TYR 108 N -1.38 2.33 -0.05 5.02 2.02 -0.20 -0.71 117.35 124.38 3abl s TYR 108 Ca 0.19 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3abl s TYR 108 Cb -0.09 -1.29 0.03 0.00 -0.40 0.00 0.00 41.96 40.21 3abl s TYR 108 CO 0.10 0.29 0.01 -1.21 -1.57 0.00 0.00 175.55 173.18 3abl s GLU 109 N -1.87 0.38 -0.38 -0.62 2.02 -0.23 -2.29 118.70 115.70 3abl s GLU 109 Ca 0.14 0.16 0.03 0.00 0.02 0.00 0.00 54.97 55.32 3abl s GLU 109 Cb -0.10 -0.75 0.11 0.00 0.10 0.00 0.00 34.13 33.49 3abl s GLU 109 CO 0.05 -0.27 0.11 0.71 0.02 0.00 0.00 175.26 175.89 3abl s TYR 110 N 1.79 3.33 -0.13 1.61 2.02 0.15 -1.16 117.35 124.96 3abl s TYR 110 Ca 0.01 -2.89 0.15 0.00 -0.37 0.00 0.00 57.07 53.97 3abl s TYR 110 Cb -0.13 -2.73 0.36 0.00 -0.40 0.00 0.00 41.96 39.06 3abl s TYR 110 CO -0.04 -0.89 1.18 0.25 -1.57 0.00 0.00 175.55 174.48 3abl n THR 111 N 4.02 1.48 0.20 -0.71 -2.24 -1.26 -2.61 114.28 113.16 3abl n THR 111 Ca 0.04 -2.28 0.04 0.00 -2.27 0.00 0.00 64.05 59.58 3abl n THR 111 Cb 0.39 0.09 0.42 0.00 -2.10 0.00 0.00 70.33 69.13 3abl n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3abl h ASP 112 N 0.70 0.00 0.00 3.42 3.32 -1.94 -3.42 116.42 118.51 3abl h ASP 112 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3abl h ASP 112 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3abl h ASP 112 CO 0.02 0.31 -0.42 -1.22 -1.72 0.00 0.00 179.24 176.20 3abl n TYR 113 N -4.09 -0.22 -4.56 4.55 4.01 -1.26 -5.12 117.16 110.47 3abl n TYR 113 Ca -0.02 0.04 -0.26 0.00 -0.16 0.00 0.00 57.90 57.50 3abl n TYR 113 Cb 0.36 0.25 -0.11 0.00 -0.31 0.00 0.00 39.34 39.53 3abl n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3abl s GLU 114 N -2.00 1.85 -1.20 -0.72 0.41 -1.26 -5.05 118.70 110.74 3abl s GLU 114 Ca 0.00 -2.01 -0.15 0.00 -0.41 0.00 0.00 54.97 52.39 3abl s GLU 114 Cb 0.00 -1.52 0.14 0.00 -1.78 0.00 0.00 34.13 30.97 3abl s GLU 114 CO 0.00 -0.01 1.47 -0.51 -0.49 0.00 0.00 175.26 175.72 3abl s ASP 115 N -3.63 6.96 -0.22 -0.19 1.01 -1.26 -4.03 116.67 115.30 3abl s ASP 115 Ca 0.34 -2.74 -0.13 0.00 0.71 0.00 0.00 52.55 50.74 3abl s ASP 115 Cb 0.07 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3abl s ASP 115 CO 0.17 -0.89 0.27 -0.22 0.21 0.00 0.00 175.17 174.71 3abl s LEU 116 N 2.38 4.14 -0.04 1.23 2.96 -1.07 -4.96 118.68 123.31 3abl s LEU 116 Ca 0.44 0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 54.46 3abl s LEU 116 Cb -0.01 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.42 3abl s LEU 116 CO 0.01 0.01 0.46 -0.94 -1.32 0.00 0.00 176.35 174.56 3abl s SER 117 N 1.00 -0.39 0.22 3.68 1.04 -1.26 0.33 113.70 118.32 3abl s SER 117 Ca 0.13 0.41 -0.22 0.00 0.48 0.00 0.00 55.95 56.74 3abl s SER 117 Cb -0.14 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.49 3abl s SER 117 CO 0.06 -0.48 0.73 0.72 0.98 0.00 0.00 173.24 175.25 3abl s PHE 118 N -1.11 -0.28 0.12 5.02 -0.12 -0.97 -5.00 117.98 115.65 3abl s PHE 118 Ca -0.11 -0.08 0.04 0.00 -0.05 0.00 0.00 56.93 56.73 3abl s PHE 118 Cb -0.03 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.97 3abl s PHE 118 CO 0.06 -1.05 0.10 -0.51 -0.05 0.00 0.00 175.22 173.76 3abl s ASP 119 N -2.86 5.45 -0.20 1.98 1.01 -1.26 -1.03 116.67 119.77 3abl s ASP 119 Ca 0.08 -0.09 -0.04 0.00 0.71 0.00 0.00 52.55 53.21 3abl s ASP 119 Cb -0.04 -1.42 0.07 0.00 1.01 0.00 0.00 42.92 42.53 3abl s ASP 119 CO 0.00 0.12 0.08 -0.55 0.21 0.00 0.00 175.17 175.04 3abl s SER 120 N -2.72 2.68 0.08 0.27 0.15 0.02 -4.56 113.70 109.60 3abl s SER 120 Ca 0.30 -0.78 0.09 0.00 0.70 0.00 0.00 55.95 56.26 3abl s SER 120 Cb -0.11 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 3abl s SER 120 CO 0.22 -0.35 -0.24 -0.31 1.20 0.00 0.00 173.24 173.75 3abl s TYR 121 N 2.05 2.13 0.43 3.44 2.02 -1.26 -2.35 117.35 123.80 3abl s TYR 121 Ca 0.02 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 56.08 3abl s TYR 121 Cb -0.16 -1.22 -0.10 0.00 -0.40 0.00 0.00 41.96 40.08 3abl s TYR 121 CO -0.13 0.19 1.20 -0.12 -1.57 0.00 0.00 175.55 175.12 3abl n MET 122 N 1.46 1.75 -2.64 -0.62 0.00 -1.26 -1.47 117.12 114.34 3abl n MET 122 Ca -0.18 0.62 -0.43 0.00 0.00 0.00 0.00 57.70 57.72 3abl n MET 122 Cb 0.53 -2.29 -0.02 0.00 0.00 0.00 0.00 33.22 31.44 3abl n MET 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3abl s ILE 123 N -1.22 4.65 0.58 1.12 -1.09 0.25 -4.73 121.20 120.76 3abl s ILE 123 Ca 0.62 1.98 -0.20 0.00 -2.23 0.00 0.00 60.65 60.82 3abl s ILE 123 Cb -0.52 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.05 3abl s ILE 123 CO 0.57 -0.14 1.32 -2.84 -1.23 0.00 0.00 174.94 172.62 3abl s PRO 124 N 3.01 2.98 0.37 2.79 0.02 -1.26 -4.61 135.00 138.31 3abl s PRO 124 Ca 0.46 2.14 0.08 0.00 0.02 0.00 0.00 61.00 63.71 3abl s PRO 124 Cb -0.16 -2.12 0.82 0.00 0.02 0.00 0.00 34.50 33.06 3abl s PRO 124 CO 0.09 -1.29 1.93 1.15 -0.33 0.00 0.00 177.00 178.56 3abl h THR 125 N 1.16 0.94 -0.00 0.99 2.02 -1.98 -0.71 112.91 115.32 3abl h THR 125 Ca -0.51 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3abl h THR 125 Cb 1.31 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3abl h THR 125 CO 0.56 0.12 -0.00 -1.54 0.37 0.00 0.00 175.52 175.03 3abl n SER 126 N -4.50 0.01 -0.35 4.18 3.41 -1.26 -2.96 113.62 112.15 3abl n SER 126 Ca 0.13 -0.25 0.04 0.00 -0.26 0.00 0.00 58.87 58.53 3abl n SER 126 Cb 0.34 -0.25 0.06 0.00 -0.26 0.00 0.00 64.21 64.10 3abl n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3abl n GLU 127 N -1.25 1.10 -1.75 4.33 1.02 -0.30 -5.02 120.64 118.78 3abl n GLU 127 Ca 0.15 -1.29 -0.41 0.00 -0.02 0.00 0.00 57.16 55.60 3abl n GLU 127 Cb 0.23 -1.16 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 3abl n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3abl n LEU 128 N 0.34 4.70 -4.86 -4.62 4.77 -1.06 -4.92 117.00 111.34 3abl n LEU 128 Ca 0.06 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.86 3abl n LEU 128 Cb 0.26 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.71 3abl n LEU 128 CO 0.05 -0.20 0.30 -0.54 -1.33 0.00 0.00 177.39 175.67 3abl s LYS 129 N -2.27 3.92 -0.13 3.23 1.02 -1.26 -4.96 119.74 119.28 3abl s LYS 129 Ca 0.59 0.47 -0.40 0.00 0.02 0.00 0.00 55.97 56.65 3abl s LYS 129 Cb -0.48 -2.60 -0.18 0.00 -0.52 0.00 0.00 37.83 34.05 3abl s LYS 129 CO 0.60 0.28 1.43 -2.30 -0.92 0.00 0.00 175.35 174.43 3abl n PRO 130 N -0.09 0.68 0.00 -1.68 -0.02 -1.26 -1.03 135.00 131.61 3abl n PRO 130 Ca 0.01 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3abl n PRO 130 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3abl n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3abl n GLY 131 N 2.99 1.69 3.83 -1.23 0.00 -1.26 -5.04 105.19 106.16 3abl n GLY 131 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3abl n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3abl s GLU 132 N -0.62 3.71 -0.42 1.61 2.02 -0.19 -5.03 118.70 119.78 3abl s GLU 132 Ca 0.00 1.05 -0.21 0.00 0.02 0.00 0.00 54.97 55.83 3abl s GLU 132 Cb 0.00 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 32.15 3abl s GLU 132 CO 0.00 -0.47 0.64 -0.51 0.02 0.00 0.00 175.26 174.94 3abl s LEU 133 N -4.24 4.45 -0.03 1.80 1.43 -1.26 -4.91 118.68 115.91 3abl s LEU 133 Ca 0.61 -0.24 -0.38 0.00 -1.03 0.00 0.00 54.13 53.09 3abl s LEU 133 Cb -0.12 -2.74 -0.16 0.00 0.03 0.00 0.00 46.19 43.20 3abl s LEU 133 CO 0.34 -0.74 1.49 -1.14 0.23 0.00 0.00 176.35 176.52 3abl n ARG 134 N 6.22 1.20 -0.56 1.70 0.63 -1.26 -2.06 116.66 122.53 3abl n ARG 134 Ca -0.02 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 3abl n ARG 134 Cb 0.48 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.29 3abl n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3abl n LEU 135 N 3.56 0.10 -0.02 6.15 4.77 -1.26 -4.79 117.00 125.50 3abl n LEU 135 Ca 0.21 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 3abl n LEU 135 Cb 0.18 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3abl n LEU 135 CO 0.69 -0.05 -0.65 0.18 -1.33 0.00 0.00 177.39 176.22 3abl n LEU 136 N 0.00 0.00 -4.81 2.23 4.77 -0.88 -4.60 117.00 113.71 3abl n LEU 136 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3abl n LEU 136 Cb 0.00 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3abl n LEU 136 CO 0.00 0.11 0.70 -1.61 -1.33 0.00 0.00 177.39 175.25 3abl s GLU 137 N -2.19 3.77 0.18 3.23 0.41 -1.17 -4.58 118.70 118.35 3abl s GLU 137 Ca -0.03 1.20 0.08 0.00 -0.41 0.00 0.00 54.97 55.82 3abl s GLU 137 Cb 0.02 -2.10 -0.04 0.00 -1.78 0.00 0.00 34.13 30.23 3abl s GLU 137 CO 0.22 -0.43 -0.17 0.14 -0.49 0.00 0.00 175.26 174.53 3abl s VAL 138 N -2.26 1.79 0.03 2.63 -7.23 -1.26 -0.58 120.40 113.53 3abl s VAL 138 Ca 0.64 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 3abl s VAL 138 Cb -0.14 -1.92 -0.17 0.00 0.56 0.00 0.00 36.38 34.71 3abl s VAL 138 CO 0.25 -0.42 1.46 -2.24 -0.31 0.00 0.00 175.10 173.84 3abl h ASP 139 N 2.98 -0.13 -3.68 4.85 -0.00 -1.54 -3.42 116.42 115.47 3abl h ASP 139 Ca -0.40 -0.20 -0.67 0.00 -0.00 0.00 0.00 57.03 55.75 3abl h ASP 139 Cb 1.21 0.03 -0.35 0.00 -0.00 0.00 0.00 39.33 40.22 3abl h ASP 139 CO 0.55 0.13 -0.78 0.20 -0.00 0.00 0.00 179.24 179.34 3abl s ASN 140 N -5.28 4.31 0.67 4.15 0.01 -1.26 -5.02 114.94 112.52 3abl s ASN 140 Ca -0.15 -1.19 -0.11 0.00 -0.71 0.00 0.00 52.86 50.70 3abl s ASN 140 Cb 0.04 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 40.10 3abl s ASN 140 CO 0.64 -0.16 1.06 -0.13 -1.51 0.00 0.00 177.10 176.99 3abl s ARG 141 N 1.19 3.15 -0.87 -0.60 0.52 -1.26 -4.61 118.95 116.47 3abl s ARG 141 Ca -0.05 0.74 -0.20 0.00 -0.52 0.00 0.00 55.73 55.71 3abl s ARG 141 Cb -0.18 -2.03 0.11 0.00 0.52 0.00 0.00 34.95 33.37 3abl s ARG 141 CO -0.05 -0.89 1.09 0.08 0.02 0.00 0.00 175.30 175.55 3abl s VAL 142 N -3.17 4.61 0.16 3.52 1.01 0.33 -4.89 120.40 121.98 3abl s VAL 142 Ca 0.57 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3abl s VAL 142 Cb -0.12 -4.76 -0.07 0.00 0.00 0.00 0.00 36.38 31.42 3abl s VAL 142 CO 0.54 -1.51 1.03 -0.69 0.00 0.00 0.00 175.10 174.47 3abl s VAL 143 N 3.08 4.12 0.05 2.92 1.01 -1.26 -0.44 120.40 129.88 3abl s VAL 143 Ca 0.30 1.84 -0.10 0.00 0.00 0.00 0.00 61.98 64.03 3abl s VAL 143 Cb -0.08 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.13 3abl s VAL 143 CO -0.05 0.32 0.20 -0.76 0.00 0.00 0.00 175.10 174.81 3abl s LEU 144 N -0.36 1.34 0.02 3.92 1.43 0.79 -4.88 118.68 120.94 3abl s LEU 144 Ca 0.47 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3abl s LEU 144 Cb -0.27 1.00 -0.04 0.00 0.03 0.00 0.00 46.19 46.91 3abl s LEU 144 CO 0.33 -0.59 1.06 -2.16 0.23 0.00 0.00 176.35 175.21 3abl s PRO 145 N -2.81 4.52 0.83 1.29 0.04 -1.26 -1.11 135.00 136.49 3abl s PRO 145 Ca -0.03 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 3abl s PRO 145 Cb 0.00 -3.42 0.09 0.00 0.04 0.00 0.00 34.50 31.21 3abl s PRO 145 CO -0.05 -0.12 1.09 0.00 0.04 0.00 0.00 177.00 177.96 3abl s MET 146 N 1.02 1.84 -1.20 4.56 0.23 0.22 -3.80 119.30 122.16 3abl s MET 146 Ca 0.54 0.90 -0.00 0.00 -1.03 0.00 0.00 55.69 56.11 3abl s MET 146 Cb -0.24 -1.87 0.00 0.00 -1.53 0.00 0.00 34.83 31.19 3abl s MET 146 CO 0.28 -1.86 0.01 0.39 -2.03 0.00 0.00 175.02 171.82 3abl n GLU 147 N -3.63 -2.16 -4.20 3.16 1.02 0.60 -4.74 120.64 110.69 3abl n GLU 147 Ca 0.08 0.68 -0.18 0.00 -0.02 0.00 0.00 57.16 57.72 3abl n GLU 147 Cb 0.55 -5.30 -0.11 0.00 -0.02 0.00 0.00 31.44 26.56 3abl n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3abl s MET 148 N -5.05 0.89 -0.24 3.49 -1.94 -1.25 -5.01 119.30 110.20 3abl s MET 148 Ca 0.01 -1.08 -0.23 0.00 -1.71 0.00 0.00 55.69 52.67 3abl s MET 148 Cb -0.00 -0.81 -0.01 0.00 2.01 0.00 0.00 34.83 36.01 3abl s MET 148 CO 0.01 0.16 0.76 0.99 -0.01 0.00 0.00 175.02 176.93 3abl s THR 149 N -1.74 4.89 -0.05 2.05 2.01 -1.26 -4.36 115.64 117.18 3abl s THR 149 Ca 0.03 1.43 0.06 0.00 0.31 0.00 0.00 61.69 63.51 3abl s THR 149 Cb -0.07 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 3abl s THR 149 CO 0.02 -0.02 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.07 3abl s ILE 150 N 2.61 2.28 -0.28 1.82 1.01 -0.05 -0.97 121.20 127.62 3abl s ILE 150 Ca 0.32 -0.99 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 3abl s ILE 150 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3abl s ILE 150 CO 0.08 0.57 0.39 -0.60 0.00 0.00 0.00 174.94 175.38 3abl s ARG 151 N -0.29 3.95 -0.17 2.79 3.52 0.34 -0.95 118.95 128.14 3abl s ARG 151 Ca 0.01 -0.00 -0.09 0.00 -0.13 0.00 0.00 55.73 55.51 3abl s ARG 151 Cb -0.13 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 3abl s ARG 151 CO 0.02 -0.33 0.15 -1.64 -0.81 0.00 0.00 175.30 172.69 3abl s MET 152 N 2.10 3.95 -0.04 5.12 -1.94 -0.13 -1.08 119.30 127.28 3abl s MET 152 Ca 0.15 -0.16 0.06 0.00 -1.71 0.00 0.00 55.69 54.04 3abl s MET 152 Cb -0.16 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 3abl s MET 152 CO 0.10 0.46 -0.23 -0.51 -0.01 0.00 0.00 175.02 174.83 3abl s LEU 153 N -0.11 2.21 -0.06 -0.03 1.43 0.73 -1.01 118.68 121.86 3abl s LEU 153 Ca 0.11 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3abl s LEU 153 Cb -0.12 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.72 3abl s LEU 153 CO 0.01 0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 176.13 3abl s VAL 154 N -0.50 0.73 0.07 -1.59 1.01 0.10 -0.18 120.40 120.05 3abl s VAL 154 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3abl s VAL 154 Cb -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3abl s VAL 154 CO 0.01 0.27 0.10 -0.24 0.00 0.00 0.00 175.10 175.24 3abl n SER 155 N 4.08 -0.28 -4.05 3.32 2.88 -0.57 -0.53 113.62 118.46 3abl n SER 155 Ca -0.23 -1.39 -0.09 0.00 -1.33 0.00 0.00 58.87 55.84 3abl n SER 155 Cb 0.51 0.53 -0.11 0.00 -0.75 0.00 0.00 64.21 64.39 3abl n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3abl s SER 156 N -1.44 0.50 -0.08 -3.46 0.15 -1.24 -0.54 113.70 107.59 3abl s SER 156 Ca 0.06 -0.76 0.13 0.00 0.70 0.00 0.00 55.95 56.07 3abl s SER 156 Cb -0.00 0.13 0.36 0.00 -1.71 0.00 0.00 66.02 64.80 3abl s SER 156 CO 0.04 -0.43 1.29 -0.62 1.20 0.00 0.00 173.24 174.72 3abl n GLU 157 N 0.80 2.81 0.00 5.44 1.02 -0.18 -4.00 120.64 126.53 3abl n GLU 157 Ca -0.19 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 3abl n GLU 157 Cb 0.58 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3abl n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3abl n ASP 158 N -0.09 0.00 -4.69 1.62 5.68 -1.26 -5.05 116.55 112.76 3abl n ASP 158 Ca 0.15 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.24 3abl n ASP 158 Cb 0.60 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.66 3abl n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3abl n VAL 159 N 0.00 0.00 -2.22 2.12 0.24 -1.26 -4.62 118.33 112.59 3abl n VAL 159 Ca 0.00 -1.74 -0.35 0.00 -2.04 0.00 0.00 64.34 60.22 3abl n VAL 159 Cb 0.00 -0.66 0.01 0.00 -1.47 0.00 0.00 33.84 31.71 3abl n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3abl s LEU 160 N 0.00 3.72 0.00 1.34 1.43 -1.26 -4.70 118.68 119.20 3abl s LEU 160 Ca 0.60 2.15 0.03 0.00 -1.03 0.00 0.00 54.13 55.89 3abl s LEU 160 Cb -0.04 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.59 3abl s LEU 160 CO 0.39 -1.25 0.15 1.41 0.23 0.00 0.00 176.35 177.28 3abl n HIS 161 N -1.40 -0.45 -3.70 0.29 8.25 -0.94 -4.37 115.22 112.89 3abl n HIS 161 Ca 0.11 -1.37 -0.13 0.00 -0.26 0.00 0.00 57.72 56.07 3abl n HIS 161 Cb 0.51 0.16 -0.09 0.00 1.12 0.00 0.00 29.99 31.69 3abl n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3abl s SER 162 N -2.14 -0.51 -0.36 0.41 0.15 -1.26 -1.34 113.70 108.64 3abl s SER 162 Ca 0.19 0.98 -0.13 0.00 0.70 0.00 0.00 55.95 57.69 3abl s SER 162 Cb 0.01 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 3abl s SER 162 CO 0.14 -0.19 0.24 0.86 1.20 0.00 0.00 173.24 175.49 3abl s TRP 163 N 0.20 3.23 0.00 3.44 -0.00 0.18 -1.41 118.94 124.58 3abl s TRP 163 Ca -0.01 -0.47 0.04 0.00 -0.00 0.00 0.00 56.10 55.67 3abl s TRP 163 Cb -0.03 -2.49 -0.01 0.00 -0.00 0.00 0.00 33.47 30.93 3abl s TRP 163 CO 0.01 -0.48 -0.13 0.00 -0.00 0.00 0.00 176.95 176.35 3abl s ALA 164 N 1.67 1.05 -0.32 5.86 0.00 -1.26 -1.34 121.76 127.42 3abl s ALA 164 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3abl s ALA 164 Cb -0.18 -0.24 0.12 0.00 0.00 0.00 0.00 23.12 22.81 3abl s ALA 164 CO 0.09 0.24 0.16 0.08 0.00 0.00 0.00 175.76 176.34 3abl s VAL 165 N -0.42 0.04 0.26 0.00 1.01 -0.80 -3.54 120.40 116.95 3abl s VAL 165 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 3abl s VAL 165 Cb -0.05 -1.05 0.25 0.00 0.00 0.00 0.00 36.38 35.52 3abl s VAL 165 CO -0.00 -0.83 1.81 -0.65 0.00 0.00 0.00 175.10 175.43 3abl h PRO 166 N 7.85 0.82 -0.83 2.72 0.11 -1.77 -1.70 132.00 139.19 3abl h PRO 166 Ca -0.10 -0.05 0.20 0.00 0.11 0.00 0.00 66.00 66.16 3abl h PRO 166 Cb 0.99 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.87 3abl h PRO 166 CO 0.37 0.54 0.56 0.77 -0.21 0.00 0.00 178.00 180.04 3abl h SER 167 N 0.85 0.29 -0.02 -2.05 0.02 -1.84 -0.54 113.55 110.25 3abl h SER 167 Ca 0.45 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3abl h SER 167 Cb 0.47 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3abl h SER 167 CO -0.27 0.12 -0.14 0.18 -1.14 0.00 0.00 176.83 175.58 3abl n LEU 168 N -4.45 2.40 0.00 5.07 4.77 -0.68 -1.63 117.00 122.49 3abl n LEU 168 Ca 0.17 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 3abl n LEU 168 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3abl n LEU 168 CO 0.33 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3abl n GLY 169 N 1.19 0.47 3.32 -0.72 0.00 -0.21 -4.33 105.19 104.92 3abl n GLY 169 Ca 0.11 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3abl n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abl s LEU 170 N 0.00 2.12 -0.30 0.99 1.43 -1.09 -4.94 118.68 116.90 3abl s LEU 170 Ca 0.00 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3abl s LEU 170 Cb 0.00 -1.37 0.18 0.00 0.03 0.00 0.00 46.19 45.04 3abl s LEU 170 CO 0.00 0.32 0.77 -0.75 0.23 0.00 0.00 176.35 176.92 3abl s LYS 171 N -0.59 0.42 -0.12 1.70 2.20 -1.25 -1.90 119.74 120.20 3abl s LYS 171 Ca 0.09 0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 56.45 3abl s LYS 171 Cb -0.10 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.67 3abl s LYS 171 CO -0.00 -0.46 -0.06 0.99 -0.36 0.00 0.00 175.35 175.46 3abl s THR 172 N 2.89 0.95 0.62 3.43 2.01 -0.45 -4.94 115.64 120.14 3abl s THR 172 Ca 0.12 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.61 3abl s THR 172 Cb -0.13 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 3abl s THR 172 CO -0.17 0.28 1.23 -1.81 -0.69 0.00 0.00 174.62 173.46 3abl s ASP 173 N 1.73 4.96 -0.41 3.53 1.01 -1.26 0.48 116.67 126.72 3abl s ASP 173 Ca 0.04 2.45 -0.00 0.00 0.71 0.00 0.00 52.55 55.74 3abl s ASP 173 Cb -0.13 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.31 3abl s ASP 173 CO -0.08 -1.75 0.17 0.00 0.21 0.00 0.00 175.17 173.72 3abl s ALA 174 N -1.57 3.11 -0.11 5.23 0.00 -0.45 -4.72 121.76 123.24 3abl s ALA 174 Ca 0.79 -2.63 0.01 0.00 0.00 0.00 0.00 51.96 50.13 3abl s ALA 174 Cb -0.32 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 3abl s ALA 174 CO 0.36 -1.80 -0.17 0.42 0.00 0.00 0.00 175.76 174.57 3abl s ILE 175 N 0.90 2.74 0.41 0.00 1.01 -1.26 -2.21 121.20 122.80 3abl s ILE 175 Ca 0.10 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.73 3abl s ILE 175 Cb -0.21 -2.12 -0.08 0.00 0.01 0.00 0.00 42.46 40.06 3abl s ILE 175 CO -0.05 0.54 1.09 -2.16 0.00 0.00 0.00 174.94 174.36 3abl s PRO 176 N 0.27 4.05 0.00 2.79 0.04 -1.26 -1.94 135.00 138.95 3abl s PRO 176 Ca -0.12 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3abl s PRO 176 Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3abl s PRO 176 CO 0.06 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.25 3abl n GLY 177 N 0.40 1.19 3.12 0.56 0.00 -1.26 -4.95 105.19 104.25 3abl n GLY 177 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 3abl n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3abl s ARG 178 N -0.22 0.70 -0.31 1.61 3.52 -0.82 -5.11 118.95 118.32 3abl s ARG 178 Ca 0.00 -1.08 0.03 0.00 -0.13 0.00 0.00 55.73 54.55 3abl s ARG 178 Cb 0.00 -0.26 0.09 0.00 -1.56 0.00 0.00 34.95 33.22 3abl s ARG 178 CO 0.00 0.02 0.03 -1.17 -0.81 0.00 0.00 175.30 173.36 3abl s LEU 179 N -2.38 3.90 -0.05 -0.88 2.96 -1.26 -4.41 118.68 116.56 3abl s LEU 179 Ca 0.02 -1.86 -0.14 0.00 -0.22 0.00 0.00 54.13 51.93 3abl s LEU 179 Cb -0.02 -1.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 3abl s LEU 179 CO -0.02 -0.35 0.36 0.20 -1.32 0.00 0.00 176.35 175.22 3abl s ASN 180 N 1.11 6.68 0.01 3.68 0.01 0.31 -4.83 114.94 121.90 3abl s ASN 180 Ca 0.06 0.81 0.00 0.00 -0.71 0.00 0.00 52.86 53.02 3abl s ASN 180 Cb -0.19 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 3abl s ASN 180 CO -0.11 0.27 0.09 -1.58 -1.51 0.00 0.00 177.10 174.26 3abl s GLN 181 N -0.67 3.06 0.15 -0.60 0.74 -1.26 0.00 119.66 121.08 3abl s GLN 181 Ca 0.22 -0.51 -0.05 0.00 0.05 0.00 0.00 55.36 55.06 3abl s GLN 181 Cb -0.15 -2.85 -0.02 0.00 1.10 0.00 0.00 33.01 31.09 3abl s GLN 181 CO 0.10 0.64 0.18 -0.08 -0.55 0.00 0.00 175.29 175.58 3abl s THR 182 N -1.23 0.08 0.11 -0.34 -1.32 -0.18 -5.01 115.64 107.75 3abl s THR 182 Ca 0.24 -1.62 0.10 0.00 -1.21 0.00 0.00 61.69 59.20 3abl s THR 182 Cb -0.12 -1.93 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 3abl s THR 182 CO 0.15 -0.38 -0.26 0.42 -2.21 0.00 0.00 174.62 172.34 3abl s THR 183 N -4.00 2.15 -0.07 5.08 -4.23 -1.26 -0.96 115.64 112.35 3abl s THR 183 Ca 0.20 -1.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3abl s THR 183 Cb 0.05 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 72.02 3abl s THR 183 CO 0.01 0.11 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.98 3abl s LEU 184 N -1.90 0.61 -0.15 4.79 0.20 -0.12 -4.94 118.68 117.16 3abl s LEU 184 Ca 0.12 -0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.83 3abl s LEU 184 Cb -0.10 -0.45 0.05 0.00 -0.43 0.00 0.00 46.19 45.26 3abl s LEU 184 CO 0.05 -0.19 0.02 -0.32 -0.29 0.00 0.00 176.35 175.62 3abl s MET 185 N 1.95 0.66 -0.11 1.98 1.75 -1.26 -0.87 119.30 123.40 3abl s MET 185 Ca 0.05 -0.25 -0.15 0.00 -1.25 0.00 0.00 55.69 54.09 3abl s MET 185 Cb -0.12 -1.75 -0.05 0.00 2.84 0.00 0.00 34.83 35.75 3abl s MET 185 CO -0.05 -0.53 0.35 0.45 -0.65 0.00 0.00 175.02 174.59 3abl s SER 186 N 1.89 6.57 0.32 1.11 0.15 -1.26 -4.49 113.70 117.99 3abl s SER 186 Ca 0.01 0.68 0.26 0.00 0.70 0.00 0.00 55.95 57.60 3abl s SER 186 Cb -0.15 -2.21 0.91 0.00 -1.71 0.00 0.00 66.02 62.85 3abl s SER 186 CO -0.07 0.14 1.77 0.28 1.20 0.00 0.00 173.24 176.56 3abl h SER 187 N 6.16 0.00 -5.01 5.45 0.02 -1.66 0.17 113.55 118.69 3abl h SER 187 Ca -0.44 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.34 3abl h SER 187 Cb 1.18 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 3abl h SER 187 CO 0.71 0.00 -0.69 -0.13 -1.14 0.00 0.00 176.83 175.58 3abl s ARG 188 N -3.30 0.60 0.89 3.45 0.52 -1.26 -4.77 118.95 115.07 3abl s ARG 188 Ca 0.06 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.05 3abl s ARG 188 Cb 0.10 0.05 0.12 0.00 0.52 0.00 0.00 34.95 35.74 3abl s ARG 188 CO 0.52 -0.06 1.13 -1.25 0.02 0.00 0.00 175.30 175.66 3abl s PRO 189 N -3.25 1.34 0.00 3.54 0.04 -1.26 -4.84 135.00 130.57 3abl s PRO 189 Ca 0.02 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.39 3abl s PRO 189 Cb 0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3abl s PRO 189 CO -0.06 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.32 3abl n GLY 190 N -2.27 0.86 3.33 0.56 0.00 -0.73 -4.92 105.19 102.03 3abl n GLY 190 Ca 0.07 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 3abl n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3abl s LEU 191 N 0.00 2.68 -0.10 0.99 1.43 -1.26 -1.00 118.68 121.42 3abl s LEU 191 Ca 0.00 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3abl s LEU 191 Cb 0.00 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3abl s LEU 191 CO 0.00 0.12 -0.12 -0.31 0.23 0.00 0.00 176.35 176.27 3abl s TYR 192 N 0.64 1.68 0.14 0.29 1.51 -0.82 -4.98 117.35 115.82 3abl s TYR 192 Ca -0.07 -0.78 0.07 0.00 -1.01 0.00 0.00 57.07 55.28 3abl s TYR 192 Cb -0.15 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 3abl s TYR 192 CO 0.03 -0.45 -0.03 0.71 -1.11 0.00 0.00 175.55 174.70 3abl s TYR 193 N 1.16 2.83 0.24 2.71 2.02 -1.26 -0.30 117.35 124.74 3abl s TYR 193 Ca -0.04 -0.13 -0.16 0.00 -0.37 0.00 0.00 57.07 56.36 3abl s TYR 193 Cb -0.14 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 3abl s TYR 193 CO -0.03 0.49 0.56 0.20 -1.57 0.00 0.00 175.55 175.20 3abl s GLY 194 N -2.64 0.19 0.02 0.71 0.00 -0.45 -4.11 107.32 101.04 3abl s GLY 194 Ca 0.25 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.45 3abl s GLY 194 CO 0.17 -0.38 -0.05 1.20 0.00 0.00 0.00 173.10 174.04 3abl s GLN 195 N -3.95 0.39 0.13 2.90 -0.21 -1.23 -0.83 119.66 116.85 3abl s GLN 195 Ca 0.15 -0.52 -0.35 0.00 0.02 0.00 0.00 55.36 54.66 3abl s GLN 195 Cb -0.02 -0.17 -0.15 0.00 1.00 0.00 0.00 33.01 33.66 3abl s GLN 195 CO 0.05 0.03 1.43 0.00 -2.12 0.00 0.00 175.29 174.68 3abl n SER 197 N 2.84 1.75 -3.79 0.00 7.64 -0.50 -4.88 113.62 116.69 3abl n SER 197 Ca 0.17 -3.61 -0.13 0.00 1.01 0.00 0.00 58.87 56.31 3abl n SER 197 Cb 0.24 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.81 3abl n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3abl s GLU 198 N -2.91 0.09 0.21 1.43 2.56 -1.26 -4.57 118.70 114.24 3abl s GLU 198 Ca 0.36 0.25 -0.32 0.00 0.00 0.00 0.00 54.97 55.26 3abl s GLU 198 Cb 0.35 -0.09 -0.14 0.00 2.00 0.00 0.00 34.13 36.25 3abl s GLU 198 CO -0.06 -0.10 1.33 1.51 -0.56 0.00 0.00 175.26 177.38 3abl n ILE 199 N 3.69 0.83 -2.06 -3.70 3.06 -1.26 -4.49 119.36 115.43 3abl n ILE 199 Ca -0.21 -0.21 -0.02 0.00 -2.50 0.00 0.00 62.75 59.82 3abl n ILE 199 Cb 0.55 -1.24 -0.02 0.00 0.54 0.00 0.00 39.64 39.47 3abl n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3abl n GLY 201 N 0.06 -0.68 0.41 0.00 0.00 -1.26 -4.69 105.19 99.02 3abl n GLY 201 Ca -0.07 -2.05 0.21 0.00 0.00 0.00 0.00 46.02 44.11 3abl n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3abl h SER 202 N 0.00 0.22 -0.11 1.61 0.02 -2.03 -2.65 113.55 110.62 3abl h SER 202 Ca 0.00 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3abl h SER 202 Cb 0.00 -0.02 -0.17 0.00 0.14 0.00 0.00 62.40 62.35 3abl h SER 202 CO 0.00 0.10 -0.71 0.59 -1.14 0.00 0.00 176.83 175.67 3abl n ASN 203 N -4.42 1.89 -0.32 3.07 3.02 -1.26 -4.81 115.26 112.43 3abl n ASN 203 Ca 0.16 -3.31 0.13 0.00 -0.03 0.00 0.00 54.58 51.53 3abl n ASN 203 Cb 0.70 -0.45 0.32 0.00 -0.61 0.00 0.00 39.78 39.74 3abl n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3abl h HIS 204 N 1.22 0.79 0.00 3.10 -0.00 -1.75 -0.89 115.15 117.62 3abl h HIS 204 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3abl h HIS 204 Cb 1.30 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 3abl h HIS 204 CO 0.61 0.03 0.00 0.77 -0.00 0.00 0.00 177.93 179.34 3abl h SER 205 N 0.50 0.00 -0.77 3.26 0.02 -1.87 -3.35 113.55 111.34 3abl h SER 205 Ca 0.57 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 61.03 3abl h SER 205 Cb 1.04 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.16 3abl h SER 205 CO -0.48 0.00 -0.87 0.49 -1.14 0.00 0.00 176.83 174.82 3abl n PHE 206 N -2.38 2.51 -3.37 3.45 3.01 -0.34 -4.87 117.46 115.47 3abl n PHE 206 Ca 0.02 -2.30 -0.26 0.00 1.01 0.00 0.00 57.45 55.91 3abl n PHE 206 Cb 0.22 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 39.30 3abl n PHE 206 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3abl n MET 207 N -0.65 0.52 -2.04 -1.08 0.00 -1.24 -4.46 117.12 108.16 3abl n MET 207 Ca 0.36 -3.32 -0.28 0.00 0.00 0.00 0.00 57.70 54.47 3abl n MET 207 Cb 0.91 -1.60 0.09 0.00 0.00 0.00 0.00 33.22 32.63 3abl n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3abl s PRO 208 N -0.48 1.89 -0.08 3.17 0.04 -1.26 -3.25 135.00 135.03 3abl s PRO 208 Ca 0.33 -0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.26 3abl s PRO 208 Cb 0.08 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.60 3abl s PRO 208 CO -0.17 -1.55 -0.12 0.42 0.04 0.00 0.00 177.00 175.62 3abl s ILE 209 N -3.47 1.19 -0.13 0.56 1.01 -0.01 -4.80 121.20 115.55 3abl s ILE 209 Ca 0.63 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 3abl s ILE 209 Cb -0.10 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.31 3abl s ILE 209 CO 0.48 0.37 -0.07 -0.69 0.00 0.00 0.00 174.94 175.03 3abl s VAL 210 N 0.81 1.01 0.08 2.92 1.01 -1.26 -1.34 120.40 123.62 3abl s VAL 210 Ca -0.12 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.33 3abl s VAL 210 Cb -0.15 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 3abl s VAL 210 CO 0.02 0.30 0.54 -0.76 0.00 0.00 0.00 175.10 175.19 3abl s LEU 211 N 1.70 4.48 -0.23 3.92 1.43 0.58 -0.51 118.68 130.06 3abl s LEU 211 Ca 0.04 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 3abl s LEU 211 Cb -0.13 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 43.22 3abl s LEU 211 CO -0.08 0.25 -0.12 -0.70 0.23 0.00 0.00 176.35 175.93 3abl s GLU 212 N -1.29 2.25 -0.22 1.70 2.12 0.42 -1.94 118.70 121.74 3abl s GLU 212 Ca 0.30 -1.09 -0.06 0.00 0.36 0.00 0.00 54.97 54.48 3abl s GLU 212 Cb -0.18 -2.68 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 3abl s GLU 212 CO 0.18 -0.47 0.03 -0.51 -0.54 0.00 0.00 175.26 173.94 3abl s LEU 213 N 1.24 3.31 0.29 2.70 2.01 -0.17 -0.15 118.68 127.91 3abl s LEU 213 Ca -0.04 -0.22 -0.00 0.00 0.01 0.00 0.00 54.13 53.88 3abl s LEU 213 Cb -0.18 -1.86 -0.02 0.00 0.01 0.00 0.00 46.19 44.14 3abl s LEU 213 CO -0.07 0.02 0.32 0.68 1.01 0.00 0.00 176.35 178.30 3abl s VAL 214 N 1.29 0.00 0.54 -1.59 -7.23 -0.26 -1.78 120.40 111.36 3abl s VAL 214 Ca 0.04 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.18 3abl s VAL 214 Cb -0.15 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 3abl s VAL 214 CO 0.02 0.00 1.26 -2.65 -0.31 0.00 0.00 175.10 173.42 3abl n PRO 215 N -0.47 1.56 -0.33 4.82 -0.02 -1.26 -0.61 135.00 138.68 3abl n PRO 215 Ca 0.03 0.57 0.21 0.00 -2.02 0.00 0.00 63.50 62.29 3abl n PRO 215 Cb 0.63 -2.45 0.40 0.00 -0.02 0.00 0.00 33.50 32.06 3abl n PRO 215 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3abl h LEU 216 N 1.34 -0.15 -0.25 2.45 5.85 -1.93 -1.69 115.31 120.93 3abl h LEU 216 Ca -0.50 0.27 -0.20 0.00 0.84 0.00 0.00 57.88 58.29 3abl h LEU 216 Cb 1.32 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 3abl h LEU 216 CO 0.56 -0.37 -0.90 0.11 -0.34 0.00 0.00 178.44 177.51 3abl h LYS 217 N 0.03 0.18 -0.39 1.25 1.79 -1.99 0.25 116.57 117.70 3abl h LYS 217 Ca 0.69 -0.21 -0.14 0.00 -2.18 0.00 0.00 60.65 58.81 3abl h LYS 217 Cb 1.59 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.30 3abl h LYS 217 CO -0.85 0.96 -0.31 1.88 -1.08 0.00 0.00 179.45 180.05 3abl h TYR 218 N 0.10 1.06 -0.61 -1.35 0.05 -1.69 -2.47 116.97 112.07 3abl h TYR 218 Ca -0.05 -0.30 0.05 0.00 0.05 0.00 0.00 58.73 58.49 3abl h TYR 218 Cb 1.53 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 38.99 3abl h TYR 218 CO 0.03 1.11 0.33 0.35 -1.05 0.00 0.00 178.16 178.93 3abl h PHE 219 N 0.71 0.60 -0.52 4.88 3.57 -0.78 -1.42 116.94 123.98 3abl h PHE 219 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3abl h PHE 219 Cb 0.90 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3abl h PHE 219 CO 0.06 0.30 0.31 0.93 -2.23 0.00 0.00 178.31 177.68 3abl h GLU 220 N 0.62 0.70 -0.22 1.11 5.08 -0.52 0.01 114.58 121.37 3abl h GLU 220 Ca 0.27 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.43 3abl h GLU 220 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3abl h GLU 220 CO -0.17 0.51 -0.41 0.87 -1.00 0.00 0.00 179.01 178.81 3abl h LYS 221 N 0.69 0.51 -0.66 2.33 1.57 -1.19 -1.93 116.57 117.89 3abl h LYS 221 Ca 0.19 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3abl h LYS 221 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3abl h LYS 221 CO -0.03 0.84 0.29 2.35 -0.57 0.00 0.00 179.45 182.33 3abl h TRP 222 N 0.42 0.98 -0.11 -1.35 7.01 -1.15 -1.15 115.95 120.60 3abl h TRP 222 Ca 0.04 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 60.99 3abl h TRP 222 Cb 0.90 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 3abl h TRP 222 CO 0.03 0.75 0.00 0.77 -2.79 0.00 0.00 178.44 177.20 3abl h SER 223 N 0.92 -0.04 -1.01 2.65 0.02 -0.69 -1.06 113.55 114.36 3abl h SER 223 Ca 0.22 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 3abl h SER 223 Cb 0.16 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 3abl h SER 223 CO -0.02 -0.00 0.65 0.00 -1.14 0.00 0.00 176.83 176.32 3abl h ALA 224 N 1.09 1.38 -0.00 3.77 0.00 -1.07 -1.85 119.26 122.57 3abl h ALA 224 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3abl h ALA 224 Cb 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3abl h ALA 224 CO -0.09 0.49 -0.10 -1.13 0.00 0.00 0.00 179.25 178.42 3abl n SER 225 N -4.48 0.46 -0.14 0.00 3.41 -0.46 -2.62 113.62 109.79 3abl n SER 225 Ca 0.15 -0.59 0.11 0.00 -0.26 0.00 0.00 58.87 58.28 3abl n SER 225 Cb 0.15 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 3abl n SER 225 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3abl n MET 226 N -0.94 0.36 0.00 4.33 2.81 -0.49 -5.07 117.12 118.13 3abl n MET 226 Ca 0.15 -0.28 0.04 0.00 -1.81 0.00 0.00 57.70 55.80 3abl n MET 226 Cb 0.27 -1.49 0.24 0.00 -0.71 0.00 0.00 33.22 31.53 3abl n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76