#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s ALA 2 N 0.00 3.62 0.34 3.17 0.00 -1.26 -4.77 121.76 122.86 2occ s ALA 2 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.90 2occ s ALA 2 Cb 0.00 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 2occ s ALA 2 CO 0.00 0.46 0.07 1.52 0.00 0.00 0.00 175.76 177.82 2occ s TYR 3 N -1.30 2.63 0.52 0.00 1.13 -1.26 -5.09 117.35 113.99 2occ s TYR 3 Ca 0.32 -0.40 -0.23 0.00 -1.41 0.00 0.00 57.07 55.36 2occ s TYR 3 Cb -0.16 -1.55 -0.06 0.00 -1.10 0.00 0.00 41.96 39.09 2occ s TYR 3 CO 0.18 0.42 1.36 -2.30 -2.51 0.00 0.00 175.55 172.69 2occ n PRO 4 N -1.05 1.79 -2.99 -3.49 -0.02 -1.26 -2.98 135.00 125.01 2occ n PRO 4 Ca -0.04 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 2occ n PRO 4 Cb 0.62 -2.56 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 2occ n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2occ n MET 5 N -0.80 -4.03 -2.59 -0.52 2.81 -1.26 -4.97 117.12 105.76 2occ n MET 5 Ca 0.09 0.80 -0.39 0.00 -1.81 0.00 0.00 57.70 56.40 2occ n MET 5 Cb 0.44 -5.59 -0.05 0.00 -0.71 0.00 0.00 33.22 27.31 2occ n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2occ s GLN 6 N -5.65 4.55 -0.21 0.03 0.74 -1.16 -4.97 119.66 112.99 2occ s GLN 6 Ca 0.27 1.59 -0.10 0.00 0.05 0.00 0.00 55.36 57.17 2occ s GLN 6 Cb -0.13 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 30.91 2occ s GLN 6 CO 0.33 0.19 -0.27 1.28 -0.55 0.00 0.00 175.29 176.28 2occ n LEU 7 N 0.83 1.49 0.00 3.68 4.32 -1.26 -5.08 117.00 120.97 2occ n LEU 7 Ca 0.01 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 2occ n LEU 7 Cb 0.47 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2occ n LEU 7 CO 0.49 0.44 0.00 0.61 -1.22 0.00 0.00 177.39 177.71 2occ n GLY 8 N 1.71 2.48 3.77 -0.72 0.00 -1.26 -5.10 105.19 106.08 2occ n GLY 8 Ca -0.41 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.31 2occ n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2occ s PHE 9 N 2.31 2.64 0.60 1.61 0.08 -1.26 -5.01 117.98 118.94 2occ s PHE 9 Ca 0.00 1.55 -0.19 0.00 0.12 0.00 0.00 56.93 58.41 2occ s PHE 9 Cb 0.00 -3.14 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 2occ s PHE 9 CO 0.00 -1.67 1.20 -0.65 -0.10 0.00 0.00 175.22 174.00 2occ s GLN 10 N -4.23 2.97 0.52 0.44 -0.21 -1.26 -4.93 119.66 112.96 2occ s GLN 10 Ca 0.66 1.80 -0.22 0.00 0.02 0.00 0.00 55.36 57.62 2occ s GLN 10 Cb -0.20 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 31.82 2occ s GLN 10 CO 0.44 -1.20 1.19 -0.25 -2.12 0.00 0.00 175.29 173.35 2occ n ASP 11 N -1.62 1.97 -4.70 5.90 9.92 -1.26 -4.81 116.55 121.95 2occ n ASP 11 Ca 0.13 0.97 -0.42 0.00 -0.53 0.00 0.00 54.79 54.94 2occ n ASP 11 Cb 0.50 -1.48 -0.03 0.00 -0.64 0.00 0.00 41.12 39.47 2occ n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2occ s ALA 12 N -1.33 3.41 -0.10 2.24 0.00 -1.26 -4.67 121.76 120.05 2occ s ALA 12 Ca 0.70 0.62 0.22 0.00 0.00 0.00 0.00 51.96 53.49 2occ s ALA 12 Cb -0.45 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 18.97 2occ s ALA 12 CO 0.51 -0.59 0.62 2.41 0.00 0.00 0.00 175.76 178.71 2occ n THR 13 N 4.35 0.32 -4.48 0.00 -1.04 -0.23 -4.90 114.28 108.30 2occ n THR 13 Ca 0.09 -0.55 -0.23 0.00 -2.04 0.00 0.00 64.05 61.33 2occ n THR 13 Cb 0.47 -0.16 -0.11 0.00 -1.82 0.00 0.00 70.33 68.72 2occ n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2occ s SER 14 N -4.88 2.93 0.27 8.00 1.04 -1.25 -1.49 113.70 118.32 2occ s SER 14 Ca -0.06 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.06 2occ s SER 14 Cb 0.12 -0.20 0.36 0.00 0.10 0.00 0.00 66.02 66.40 2occ s SER 14 CO 0.87 -0.44 1.81 -0.65 0.98 0.00 0.00 173.24 175.80 2occ h PRO 15 N 2.11 0.86 -0.14 4.02 0.11 -1.92 -2.80 132.00 134.23 2occ h PRO 15 Ca -0.41 -0.18 -0.17 0.00 0.11 0.00 0.00 66.00 65.34 2occ h PRO 15 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2occ h PRO 15 CO 0.71 0.78 -0.64 -0.84 -0.21 0.00 0.00 178.00 177.80 2occ h ILE 16 N 0.82 1.34 -0.49 4.15 3.07 -1.93 -2.12 117.51 122.35 2occ h ILE 16 Ca 0.18 -1.95 -0.03 0.00 1.55 0.00 0.00 64.86 64.60 2occ h ILE 16 Cb 0.32 1.93 -0.02 0.00 -0.27 0.00 0.00 36.82 38.78 2occ h ILE 16 CO 0.00 0.60 0.16 -0.03 -1.05 0.00 0.00 178.15 177.83 2occ h MET 17 N 0.37 0.72 -0.38 0.16 4.05 -1.73 0.77 114.93 118.88 2occ h MET 17 Ca -0.01 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 2occ h MET 17 Cb 1.20 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.86 2occ h MET 17 CO 0.12 0.62 0.15 0.93 0.23 0.00 0.00 176.91 178.95 2occ h GLU 18 N 0.71 0.56 -0.58 0.39 5.08 -1.35 -0.86 114.58 118.52 2occ h GLU 18 Ca 0.17 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2occ h GLU 18 Cb 0.20 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2occ h GLU 18 CO -0.01 0.54 0.32 0.93 -1.00 0.00 0.00 179.01 179.80 2occ h GLU 19 N 0.46 0.60 -0.81 2.33 4.39 -0.59 -2.42 114.58 118.54 2occ h GLU 19 Ca 0.13 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2occ h GLU 19 Cb 0.19 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2occ h GLU 19 CO -0.01 0.40 0.36 -0.07 -1.16 0.00 0.00 179.01 178.53 2occ h LEU 20 N 0.62 1.08 -0.51 1.33 3.38 -0.47 -1.49 115.31 119.25 2occ h LEU 20 Ca 0.25 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2occ h LEU 20 Cb 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2occ h LEU 20 CO -0.15 0.93 0.28 -0.07 0.09 0.00 0.00 178.44 179.52 2occ h LEU 21 N 1.16 0.44 -0.48 1.67 3.38 -0.69 0.18 115.31 120.97 2occ h LEU 21 Ca 0.27 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 2occ h LEU 21 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2occ h LEU 21 CO -0.03 0.30 -0.43 0.45 0.09 0.00 0.00 178.44 178.82 2occ h HIS 22 N 0.56 0.93 -0.33 1.13 3.86 -1.30 -1.93 115.15 118.06 2occ h HIS 22 Ca 0.21 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 2occ h HIS 22 Cb 0.07 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2occ h HIS 22 CO -0.08 1.07 -0.11 0.35 0.86 0.00 0.00 177.93 180.02 2occ h PHE 23 N 0.62 0.61 0.00 2.45 3.57 -0.67 -1.95 116.94 121.57 2occ h PHE 23 Ca 0.04 -0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.33 2occ h PHE 23 Cb 1.00 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 2occ h PHE 23 CO 0.05 0.66 -0.56 1.25 -2.23 0.00 0.00 178.31 177.48 2occ h HIS 24 N 0.52 0.00 -0.44 0.41 2.76 -0.39 -1.27 115.15 116.73 2occ h HIS 24 Ca 0.10 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.13 2occ h HIS 24 Cb 0.50 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2occ h HIS 24 CO 0.02 0.56 -0.24 -0.44 -1.30 0.00 0.00 177.93 176.52 2occ h ASP 25 N 0.00 0.98 0.34 3.26 3.32 -0.82 0.13 116.42 123.63 2occ h ASP 25 Ca -0.01 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 2occ h ASP 25 Cb 0.99 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2occ h ASP 25 CO 0.07 1.18 -0.28 -0.74 -1.72 0.00 0.00 179.24 177.75 2occ h HIS 26 N 0.79 -0.74 -0.52 4.55 2.76 -1.14 -0.93 115.15 119.92 2occ h HIS 26 Ca 0.10 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2occ h HIS 26 Cb 0.82 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2occ h HIS 26 CO 0.06 -0.41 0.24 1.15 -1.30 0.00 0.00 177.93 177.66 2occ h THR 27 N -0.63 1.20 -0.06 6.26 2.02 -1.17 -2.69 112.91 117.85 2occ h THR 27 Ca -0.03 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 2occ h THR 27 Cb 0.55 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2occ h THR 27 CO -0.02 0.23 -0.10 0.25 0.37 0.00 0.00 175.52 176.25 2occ h LEU 28 N 0.69 0.08 -0.28 2.58 5.85 -0.60 -1.43 115.31 122.21 2occ h LEU 28 Ca 0.18 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2occ h LEU 28 Cb 0.14 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2occ h LEU 28 CO -0.02 0.20 0.05 -0.03 -0.34 0.00 0.00 178.44 178.30 2occ h MET 29 N 0.09 0.46 -0.63 1.25 4.05 -0.84 -1.72 114.93 117.58 2occ h MET 29 Ca 0.02 -0.12 -0.07 0.00 -0.28 0.00 0.00 59.70 59.25 2occ h MET 29 Cb 0.24 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2occ h MET 29 CO 0.01 0.57 0.13 0.82 0.23 0.00 0.00 176.91 178.68 2occ h ILE 30 N 0.28 1.25 0.00 1.77 2.04 -1.16 -1.19 117.51 120.50 2occ h ILE 30 Ca 0.08 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 2occ h ILE 30 Cb 0.33 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2occ h ILE 30 CO 0.01 0.35 -0.20 -0.37 0.00 0.00 0.00 178.15 177.94 2occ h VAL 31 N 0.95 0.53 -0.00 1.67 -1.51 -1.13 -0.90 116.25 115.86 2occ h VAL 31 Ca 0.20 -1.02 -0.22 0.00 -1.23 0.00 0.00 66.70 64.43 2occ h VAL 31 Cb 0.37 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2occ h VAL 31 CO 0.00 0.20 -0.93 -0.26 -1.23 0.00 0.00 177.57 175.35 2occ h PHE 32 N 0.00 0.60 0.66 5.19 0.04 -0.71 -1.76 116.94 120.97 2occ h PHE 32 Ca -0.00 -0.33 -0.03 0.00 2.80 0.00 0.00 57.97 60.41 2occ h PHE 32 Cb 0.68 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.77 2occ h PHE 32 CO 0.00 1.15 -0.32 1.25 -0.60 0.00 0.00 178.31 179.79 2occ h LEU 33 N 0.23 -0.75 -0.63 1.54 6.46 -0.66 -1.41 115.31 120.09 2occ h LEU 33 Ca -0.08 0.03 0.09 0.00 -0.12 0.00 0.00 57.88 57.80 2occ h LEU 33 Cb 1.57 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 41.62 2occ h LEU 33 CO 0.16 -0.49 0.27 0.40 -0.62 0.00 0.00 178.44 178.16 2occ h ILE 34 N -1.00 0.81 -0.05 4.05 1.08 -1.27 -0.05 117.51 121.09 2occ h ILE 34 Ca -0.09 -0.16 -0.11 0.00 -0.39 0.00 0.00 64.86 64.11 2occ h ILE 34 Cb 0.68 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 2occ h ILE 34 CO 0.15 0.09 -0.46 0.77 -0.69 0.00 0.00 178.15 178.01 2occ h SER 35 N 0.48 0.12 1.18 1.72 4.64 -1.32 -1.42 113.55 118.94 2occ h SER 35 Ca 0.31 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 2occ h SER 35 Cb 0.35 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2occ h SER 35 CO -0.28 0.56 -0.78 0.77 -0.87 0.00 0.00 176.83 176.24 2occ h SER 36 N 0.09 0.00 -0.05 4.97 4.64 -0.66 -2.66 113.55 119.88 2occ h SER 36 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2occ h SER 36 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2occ h SER 36 CO 0.06 0.78 0.01 0.25 -0.87 0.00 0.00 176.83 177.06 2occ h LEU 37 N 0.00 0.09 -1.25 5.97 5.85 -0.54 -1.30 115.31 124.13 2occ h LEU 37 Ca -0.01 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2occ h LEU 37 Cb 1.58 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 2occ h LEU 37 CO 0.10 0.34 0.47 0.58 -0.34 0.00 0.00 178.44 179.59 2occ h VAL 38 N -0.17 1.19 -0.12 1.05 2.07 -1.30 -1.01 116.25 117.97 2occ h VAL 38 Ca 0.02 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 66.99 2occ h VAL 38 Cb 0.29 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2occ h VAL 38 CO 0.00 0.19 -0.60 0.25 0.02 0.00 0.00 177.57 177.43 2occ h LEU 39 N 1.00 0.48 0.16 2.57 5.85 -1.31 -1.61 115.31 122.44 2occ h LEU 39 Ca 0.27 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2occ h LEU 39 Cb -0.09 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2occ h LEU 39 CO -0.05 0.97 -0.08 0.22 -0.34 0.00 0.00 178.44 179.15 2occ h TYR 40 N 0.31 -0.20 -0.59 1.25 5.03 -0.77 -2.07 116.97 119.93 2occ h TYR 40 Ca -0.01 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.40 2occ h TYR 40 Cb 1.14 0.07 -0.08 0.00 1.55 0.00 0.00 36.73 39.41 2occ h TYR 40 CO 0.04 0.19 0.16 0.82 -1.32 0.00 0.00 178.16 178.05 2occ h ILE 41 N -0.67 0.69 -0.43 1.81 1.08 -1.22 0.22 117.51 118.99 2occ h ILE 41 Ca -0.02 -0.10 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2occ h ILE 41 Cb 0.49 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 2occ h ILE 41 CO 0.04 0.05 0.25 0.40 -0.69 0.00 0.00 178.15 178.20 2occ h ILE 42 N 0.30 1.04 0.00 -0.67 2.04 -1.29 0.76 117.51 119.69 2occ h ILE 42 Ca 0.31 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 2occ h ILE 42 Cb 0.43 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2occ h ILE 42 CO -0.37 0.09 -0.45 0.77 0.00 0.00 0.00 178.15 178.19 2occ h SER 43 N 0.50 0.00 -0.54 1.72 4.64 -0.51 -2.61 113.55 116.75 2occ h SER 43 Ca 0.17 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 2occ h SER 43 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2occ h SER 43 CO -0.08 0.45 -0.05 0.25 -0.87 0.00 0.00 176.83 176.53 2occ h LEU 44 N 0.00 0.98 -1.38 5.97 5.85 0.39 -3.02 115.31 124.10 2occ h LEU 44 Ca -0.00 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2occ h LEU 44 Cb 0.83 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2occ h LEU 44 CO 0.06 1.07 -0.25 0.24 -0.34 0.00 0.00 178.44 179.22 2occ h MET 45 N 0.86 0.00 -0.73 1.25 2.86 -0.51 -3.20 114.93 115.47 2occ h MET 45 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2occ h MET 45 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2occ h MET 45 CO 0.04 0.25 0.00 1.28 1.06 0.00 0.00 176.91 179.54 2occ n LEU 46 N -3.65 3.94 -0.82 1.22 4.77 -1.09 -4.57 117.00 116.80 2occ n LEU 46 Ca -0.01 -2.00 0.02 0.00 -0.03 0.00 0.00 56.01 53.99 2occ n LEU 46 Cb 0.38 -0.48 0.19 0.00 -2.33 0.00 0.00 43.42 41.17 2occ n LEU 46 CO 0.34 0.98 0.41 0.35 -1.33 0.00 0.00 177.39 178.14 2occ n THR 47 N 1.62 2.30 -3.92 -5.08 -2.24 -1.17 -5.04 114.28 100.75 2occ n THR 47 Ca 0.24 -3.25 -0.11 0.00 -2.27 0.00 0.00 64.05 58.67 2occ n THR 47 Cb 0.62 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 2occ n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2occ s THR 48 N -3.36 0.05 -0.85 4.28 -1.32 -1.26 -5.01 115.64 108.17 2occ s THR 48 Ca 0.40 -0.42 0.26 0.00 -1.21 0.00 0.00 61.69 60.72 2occ s THR 48 Cb 0.38 -0.14 0.12 0.00 -1.51 0.00 0.00 72.50 71.35 2occ s THR 48 CO -0.05 -0.23 1.56 0.29 -2.21 0.00 0.00 174.62 173.98 2occ n LYS 49 N 2.38 0.13 -1.97 7.08 4.76 -1.26 -4.86 118.16 124.41 2occ n LYS 49 Ca -0.18 0.06 -0.41 0.00 -2.87 0.00 0.00 58.31 54.91 2occ n LYS 49 Cb 0.58 -1.60 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 2occ n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2occ s LEU 50 N -3.59 4.38 0.26 -0.35 1.43 -1.26 -5.00 118.68 114.55 2occ s LEU 50 Ca 0.10 2.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.99 2occ s LEU 50 Cb 0.16 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2occ s LEU 50 CO 0.65 -0.74 -0.11 0.42 0.23 0.00 0.00 176.35 176.81 2occ s THR 51 N 0.04 1.82 -0.44 5.49 -4.23 -1.26 -5.07 115.64 111.98 2occ s THR 51 Ca 0.60 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2occ s THR 51 Cb -0.43 -2.32 0.21 0.00 1.34 0.00 0.00 72.50 71.30 2occ s THR 51 CO 0.44 -0.40 0.90 1.57 -0.54 0.00 0.00 174.62 176.59 2occ n HIS 52 N -0.54 -2.50 1.26 3.99 -0.00 -1.26 -5.04 115.22 111.13 2occ n HIS 52 Ca -0.06 -1.10 0.13 0.00 -0.00 0.00 0.00 57.72 56.69 2occ n HIS 52 Cb 0.62 1.33 0.39 0.00 -0.00 0.00 0.00 29.99 32.33 2occ n HIS 52 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2occ n THR 53 N 2.64 0.00 -2.02 3.57 -2.24 -1.26 -4.93 114.28 110.03 2occ n THR 53 Ca 0.14 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.51 2occ n THR 53 Cb 0.61 0.39 0.12 0.00 -2.10 0.00 0.00 70.33 69.34 2occ n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2occ s SER 54 N -2.47 4.07 0.45 3.42 1.04 -1.26 -5.00 113.70 113.95 2occ s SER 54 Ca 0.25 0.45 -0.25 0.00 0.48 0.00 0.00 55.95 56.88 2occ s SER 54 Cb 0.19 -0.81 -0.09 0.00 0.10 0.00 0.00 66.02 65.42 2occ s SER 54 CO 0.51 -2.13 1.41 0.35 0.98 0.00 0.00 173.24 174.37 2occ n THR 55 N -3.36 2.78 -4.40 2.02 -2.24 -1.26 -5.05 114.28 102.77 2occ n THR 55 Ca 0.11 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 2occ n THR 55 Cb 0.60 -1.81 -0.12 0.00 -2.10 0.00 0.00 70.33 66.91 2occ n THR 55 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2occ s MET 56 N -2.42 1.57 0.04 -0.78 1.00 -1.26 -5.11 119.30 112.33 2occ s MET 56 Ca 0.61 -1.48 -0.30 0.00 0.00 0.00 0.00 55.69 54.52 2occ s MET 56 Cb -0.46 -1.89 -0.04 0.00 0.00 0.00 0.00 34.83 32.44 2occ s MET 56 CO 0.57 0.41 1.05 0.34 0.00 0.00 0.00 175.02 177.40 2occ s ASP 57 N -2.63 7.28 -0.05 3.03 -1.08 -1.26 -4.99 116.67 116.97 2occ s ASP 57 Ca 0.21 1.80 -0.12 0.00 -0.52 0.00 0.00 52.55 53.91 2occ s ASP 57 Cb -0.08 -2.58 -0.07 0.00 -1.46 0.00 0.00 42.92 38.73 2occ s ASP 57 CO 0.10 -0.31 0.50 0.00 0.52 0.00 0.00 175.17 175.98 2occ h ALA 58 N 6.64 -0.37 -0.39 3.66 0.00 -2.05 -3.42 119.26 123.34 2occ h ALA 58 Ca -0.41 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.47 2occ h ALA 58 Cb 1.22 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.06 2occ h ALA 58 CO 0.77 -0.35 -0.33 1.96 0.00 0.00 0.00 179.25 181.29 2occ h GLN 59 N -1.08 -0.25 -0.49 0.00 1.08 -2.00 -3.33 115.11 109.03 2occ h GLN 59 Ca -0.04 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 2occ h GLN 59 Cb 0.34 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 2occ h GLN 59 CO 0.06 -0.17 -0.29 -0.85 -0.95 0.00 0.00 178.83 176.63 2occ n GLU 60 N -5.42 -0.22 0.09 1.46 -0.00 -1.26 -1.33 120.64 113.97 2occ n GLU 60 Ca 0.01 0.90 0.13 0.00 -0.00 0.00 0.00 57.16 58.19 2occ n GLU 60 Cb 0.34 -1.32 0.32 0.00 -0.00 0.00 0.00 31.44 30.78 2occ n GLU 60 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2occ n VAL 61 N -4.30 0.54 0.26 3.84 0.24 -1.26 -3.86 118.33 113.79 2occ n VAL 61 Ca 0.01 -0.29 0.10 0.00 -2.04 0.00 0.00 64.34 62.11 2occ n VAL 61 Cb 0.13 -0.45 0.68 0.00 -1.47 0.00 0.00 33.84 32.73 2occ n VAL 61 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2occ h GLU 62 N 0.00 0.00 -0.38 7.34 5.08 -1.31 -1.61 114.58 123.70 2occ h GLU 62 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2occ h GLU 62 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2occ h GLU 62 CO 0.00 0.07 -0.22 1.79 -1.00 0.00 0.00 179.01 179.66 2occ h THR 63 N 0.00 1.28 -0.21 1.13 1.35 -1.66 -2.42 112.91 112.38 2occ h THR 63 Ca -0.00 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 64.50 2occ h THR 63 Cb 0.15 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 2occ h THR 63 CO 0.01 0.45 0.11 0.40 -0.25 0.00 0.00 175.52 176.24 2occ h ILE 64 N 0.62 1.12 0.00 6.82 2.04 -1.55 0.32 117.51 126.87 2occ h ILE 64 Ca 0.08 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2occ h ILE 64 Cb 0.77 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2occ h ILE 64 CO 0.06 0.11 0.00 -2.67 0.00 0.00 0.00 178.15 175.66 2occ n TRP 65 N -4.88 0.00 0.00 1.37 2.14 -0.71 -1.54 117.44 113.83 2occ n TRP 65 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 2occ n TRP 65 Cb 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 31.31 30.51 2occ n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 2occ n THR 66 N -0.15 0.00 0.00 -1.67 -1.04 -0.93 -4.66 114.28 105.84 2occ n THR 66 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2occ n THR 66 Cb 0.17 -1.29 0.13 0.00 -1.82 0.00 0.00 70.33 67.52 2occ n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2occ h ILE 67 N 0.00 1.29 0.24 12.58 1.08 -0.89 -2.90 117.51 128.91 2occ h ILE 67 Ca 0.00 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 62.95 2occ h ILE 67 Cb 0.97 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 2occ h ILE 67 CO 0.00 0.47 -0.11 0.25 -0.69 0.00 0.00 178.15 178.07 2occ h LEU 68 N 0.44 -0.27 -1.69 1.44 5.85 -1.49 -2.62 115.31 116.97 2occ h LEU 68 Ca 0.04 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.69 2occ h LEU 68 Cb 0.85 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2occ h LEU 68 CO 0.07 0.07 0.44 -0.65 -0.34 0.00 0.00 178.44 178.03 2occ h PRO 69 N -0.63 0.32 -0.58 5.25 0.11 -1.79 -0.73 132.00 133.94 2occ h PRO 69 Ca -0.03 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 2occ h PRO 69 Cb 0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 2occ h PRO 69 CO 0.05 0.21 0.09 0.00 -0.21 0.00 0.00 178.00 178.15 2occ h ALA 70 N 1.68 1.07 -0.25 -0.75 0.00 -1.29 -1.35 119.26 118.37 2occ h ALA 70 Ca 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2occ h ALA 70 Cb 0.77 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2occ h ALA 70 CO -0.08 0.60 -0.20 0.82 0.00 0.00 0.00 179.25 180.39 2occ h ILE 71 N 0.88 1.31 -0.37 0.00 2.04 -0.80 -2.74 117.51 117.83 2occ h ILE 71 Ca 0.18 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 2occ h ILE 71 Cb 0.39 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2occ h ILE 71 CO 0.01 0.42 0.19 0.40 0.00 0.00 0.00 178.15 179.17 2occ h ILE 72 N 0.29 1.12 -0.26 -0.67 2.04 -1.06 -1.59 117.51 117.39 2occ h ILE 72 Ca 0.04 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.43 2occ h ILE 72 Cb 0.75 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2occ h ILE 72 CO 0.05 0.14 -0.41 -0.07 0.00 0.00 0.00 178.15 177.86 2occ h LEU 73 N 0.51 0.65 -1.19 1.44 3.38 -1.16 -2.56 115.31 116.38 2occ h LEU 73 Ca 0.13 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2occ h LEU 73 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2occ h LEU 73 CO -0.02 0.99 -0.22 0.40 0.09 0.00 0.00 178.44 179.68 2occ h ILE 74 N 0.50 1.23 0.00 1.22 2.04 -1.01 0.16 117.51 121.65 2occ h ILE 74 Ca 0.04 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 2occ h ILE 74 Cb 0.93 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2occ h ILE 74 CO 0.08 0.33 -0.31 -0.07 0.00 0.00 0.00 178.15 178.18 2occ h LEU 75 N 0.26 0.00 0.14 1.44 3.38 -0.99 -2.38 115.31 117.17 2occ h LEU 75 Ca 0.04 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 2occ h LEU 75 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2occ h LEU 75 CO 0.04 0.31 -1.88 0.40 0.09 0.00 0.00 178.44 177.40 2occ h ILE 76 N 0.00 0.75 -0.46 1.22 2.04 -1.08 -3.41 117.51 116.57 2occ h ILE 76 Ca -0.00 -2.39 -0.03 0.00 1.00 0.00 0.00 64.86 63.43 2occ h ILE 76 Cb 0.69 2.59 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 2occ h ILE 76 CO 0.04 0.87 0.16 0.00 0.00 0.00 0.00 178.15 179.22 2occ h ALA 77 N 0.06 0.60 0.25 1.87 0.00 -0.86 -2.81 119.26 118.38 2occ h ALA 77 Ca -0.39 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.36 2occ h ALA 77 Cb 2.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 2occ h ALA 77 CO 0.11 0.24 -0.41 -0.07 0.00 0.00 0.00 179.25 179.12 2occ h LEU 78 N 0.61 -1.17 -0.60 0.00 3.38 -1.65 0.16 115.31 116.04 2occ h LEU 78 Ca 0.15 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.27 2occ h LEU 78 Cb 0.24 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2occ h LEU 78 CO -0.01 -0.52 0.35 -0.65 0.09 0.00 0.00 178.44 177.70 2occ h PRO 79 N -0.73 0.66 -0.35 1.13 0.11 -1.79 -1.39 132.00 129.64 2occ h PRO 79 Ca -0.00 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.11 2occ h PRO 79 Cb 0.71 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 2occ h PRO 79 CO -0.16 0.44 0.10 1.03 -0.21 0.00 0.00 178.00 179.19 2occ h SER 80 N 0.68 0.08 -0.01 -2.05 0.87 -1.19 -1.39 113.55 110.53 2occ h SER 80 Ca 0.25 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.72 2occ h SER 80 Cb 0.07 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2occ h SER 80 CO -0.12 0.08 -0.45 -0.07 -0.53 0.00 0.00 176.83 175.74 2occ h LEU 81 N 0.23 0.59 0.06 2.23 3.38 -0.36 -1.24 115.31 120.21 2occ h LEU 81 Ca 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2occ h LEU 81 Cb 0.16 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2occ h LEU 81 CO -0.19 0.96 -0.03 -0.09 0.09 0.00 0.00 178.44 179.18 2occ h ARG 82 N 0.45 -0.08 -0.66 1.13 2.43 -0.73 -0.76 114.38 116.15 2occ h ARG 82 Ca 0.03 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2occ h ARG 82 Cb 0.96 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2occ h ARG 82 CO 0.09 -0.04 0.28 0.82 -1.51 0.00 0.00 179.97 179.61 2occ h ILE 83 N -0.09 1.23 -0.51 1.20 2.04 -1.18 -0.56 117.51 119.63 2occ h ILE 83 Ca -0.01 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2occ h ILE 83 Cb 0.07 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2occ h ILE 83 CO 0.01 0.28 0.34 0.25 0.00 0.00 0.00 178.15 179.03 2occ h LEU 84 N 0.95 0.58 -0.94 1.44 5.85 -0.72 -2.01 115.31 120.47 2occ h LEU 84 Ca 0.23 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 2occ h LEU 84 Cb 0.16 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2occ h LEU 84 CO -0.02 0.42 -0.43 1.88 -0.34 0.00 0.00 178.44 179.95 2occ h TYR 85 N 0.69 0.00 0.00 1.25 -1.99 -0.74 -2.87 116.97 113.31 2occ h TYR 85 Ca 0.19 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 2occ h TYR 85 Cb -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 2occ h TYR 85 CO -0.04 0.43 -0.34 1.98 -0.00 0.00 0.00 178.16 180.19 2occ h MET 86 N 0.00 0.00 -0.03 4.88 4.05 -0.51 -3.16 114.93 120.16 2occ h MET 86 Ca -0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.22 2occ h MET 86 Cb 0.91 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2occ h MET 86 CO 0.06 0.34 -0.82 0.52 0.23 0.00 0.00 176.91 177.23 2occ h MET 87 N 0.00 0.31 -0.87 0.39 2.86 -1.15 -3.18 114.93 113.30 2occ h MET 87 Ca -0.00 -0.30 -0.57 0.00 -2.06 0.00 0.00 59.70 56.77 2occ h MET 87 Cb 0.75 0.08 -0.30 0.00 0.06 0.00 0.00 31.60 32.18 2occ h MET 87 CO 0.04 0.97 0.38 -0.25 1.06 0.00 0.00 176.91 179.12 2occ n ASP 88 N -3.75 5.86 -4.83 1.22 8.00 -1.21 -4.78 116.55 117.05 2occ n ASP 88 Ca -0.04 -3.75 -0.32 0.00 0.71 0.00 0.00 54.79 51.38 2occ n ASP 88 Cb 0.76 -0.79 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 2occ n ASP 88 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2occ s GLU 89 N -3.63 3.62 -0.79 -1.24 2.12 -1.20 -4.93 118.70 112.66 2occ s GLU 89 Ca 0.58 1.04 -0.25 0.00 0.36 0.00 0.00 54.97 56.70 2occ s GLU 89 Cb 0.47 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.75 2occ s GLU 89 CO 0.02 -0.55 1.87 0.42 -0.54 0.00 0.00 175.26 176.49 2occ s ILE 90 N -2.61 3.44 0.00 -3.70 -1.09 -1.26 -4.94 121.20 111.03 2occ s ILE 90 Ca 0.60 -0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 2occ s ILE 90 Cb -0.13 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 2occ s ILE 90 CO 0.36 -1.00 0.11 0.54 -1.23 0.00 0.00 174.94 173.72 2occ s ASN 91 N 7.82 5.85 -0.49 3.58 6.03 -1.26 -5.09 114.94 131.38 2occ s ASN 91 Ca 0.67 0.19 -0.06 0.00 -1.03 0.00 0.00 52.86 52.63 2occ s ASN 91 Cb -0.09 -1.72 0.13 0.00 -3.03 0.00 0.00 41.25 36.54 2occ s ASN 91 CO 0.08 0.26 0.32 0.20 -2.03 0.00 0.00 177.10 175.93 2occ s ASN 92 N -1.85 5.48 0.39 3.54 -0.87 -1.26 -5.09 114.94 115.27 2occ s ASN 92 Ca 0.25 -2.16 -0.25 0.00 -1.57 0.00 0.00 52.86 49.13 2occ s ASN 92 Cb -0.12 -1.92 -0.09 0.00 -0.02 0.00 0.00 41.25 39.10 2occ s ASN 92 CO 0.16 -0.57 1.06 -2.16 -2.57 0.00 0.00 177.10 173.02 2occ s PRO 93 N 0.97 4.20 0.00 -0.60 0.04 -1.26 -4.87 135.00 133.48 2occ s PRO 93 Ca 0.09 1.57 0.17 0.00 0.04 0.00 0.00 61.00 62.87 2occ s PRO 93 Cb -0.23 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 2occ s PRO 93 CO -0.03 -0.12 0.84 -1.13 0.04 0.00 0.00 177.00 176.60 2occ n SER 94 N 0.07 1.39 -3.69 6.66 3.41 -0.94 -4.96 113.62 115.56 2occ n SER 94 Ca 0.04 -1.20 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 2occ n SER 94 Cb 0.49 0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 65.01 2occ n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2occ s LEU 95 N -2.38 0.15 -0.12 1.04 2.96 -1.25 -5.08 118.68 114.00 2occ s LEU 95 Ca 0.12 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 2occ s LEU 95 Cb 0.14 1.73 0.01 0.00 0.50 0.00 0.00 46.19 48.57 2occ s LEU 95 CO 0.53 -0.28 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.23 2occ s THR 96 N -0.21 1.61 0.04 3.68 2.01 -1.26 -0.85 115.64 120.65 2occ s THR 96 Ca -0.04 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.32 2occ s THR 96 Cb -0.03 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 2occ s THR 96 CO 0.03 0.46 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.52 2occ s VAL 97 N 0.96 1.64 0.13 3.82 1.01 -0.12 -4.36 120.40 123.48 2occ s VAL 97 Ca -0.06 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.84 2occ s VAL 97 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2occ s VAL 97 CO -0.02 0.22 -0.11 -0.54 0.00 0.00 0.00 175.10 174.65 2occ s LYS 98 N -1.10 2.04 -0.02 2.72 1.02 -0.50 -1.09 119.74 122.81 2occ s LYS 98 Ca 0.07 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 54.96 2occ s LYS 98 Cb -0.09 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.00 2occ s LYS 98 CO 0.01 0.48 -0.03 -0.08 -0.92 0.00 0.00 175.35 174.82 2occ s THR 99 N -1.32 0.32 -0.14 2.17 -1.32 -0.14 -0.90 115.64 114.30 2occ s THR 99 Ca 0.22 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.63 2occ s THR 99 Cb -0.10 -0.32 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 2occ s THR 99 CO 0.13 0.13 -0.21 -0.04 -2.21 0.00 0.00 174.62 172.42 2occ s MET 100 N 0.37 2.88 0.42 7.08 -1.94 0.62 -2.29 119.30 126.43 2occ s MET 100 Ca -0.04 -0.80 -0.21 0.00 -1.71 0.00 0.00 55.69 52.93 2occ s MET 100 Cb -0.07 -2.34 -0.11 0.00 2.01 0.00 0.00 34.83 34.32 2occ s MET 100 CO -0.01 -0.03 0.93 0.20 -0.01 0.00 0.00 175.02 176.11 2occ s GLY 101 N 0.86 2.40 0.18 -0.03 0.00 0.09 -1.54 107.32 109.28 2occ s GLY 101 Ca -0.07 0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.95 2occ s GLY 101 CO -0.02 0.66 0.28 0.30 0.00 0.00 0.00 173.10 174.31 2occ s HIS 102 N -2.15 0.52 -0.97 1.90 3.76 -0.47 -1.87 115.29 116.01 2occ s HIS 102 Ca 0.61 -0.87 -0.24 0.00 -0.15 0.00 0.00 55.06 54.41 2occ s HIS 102 Cb -0.09 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.45 2occ s HIS 102 CO 0.14 -0.74 1.84 -0.65 -0.85 0.00 0.00 174.74 174.47 2occ s GLN 103 N -4.01 2.81 0.00 1.40 -0.21 -1.26 -2.25 119.66 116.15 2occ s GLN 103 Ca 0.21 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.97 2occ s GLN 103 Cb 0.03 -5.16 0.00 0.00 1.00 0.00 0.00 33.01 28.88 2occ s GLN 103 CO 0.03 -3.17 0.00 0.91 -2.12 0.00 0.00 175.29 170.94 2occ n TRP 104 N 12.79 0.00 0.00 0.91 8.01 -1.26 -5.08 117.44 132.81 2occ n TRP 104 Ca 0.40 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.59 2occ n TRP 104 Cb 0.48 -0.47 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 2occ n TRP 104 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.69 179.16 2occ n TYR 105 N -1.25 0.00 -4.29 -5.99 4.11 -0.95 -4.74 117.16 104.04 2occ n TYR 105 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 2occ n TYR 105 Cb 0.24 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.49 2occ n TYR 105 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2occ s TRP 106 N -2.00 2.95 -0.02 -3.48 0.52 -1.14 -1.37 118.94 114.40 2occ s TRP 106 Ca 0.00 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.16 2occ s TRP 106 Cb 0.00 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2occ s TRP 106 CO 0.00 0.43 -0.19 -1.54 0.02 0.00 0.00 176.95 175.67 2occ s SER 107 N -1.81 2.28 0.14 2.95 1.04 -0.59 -0.28 113.70 117.44 2occ s SER 107 Ca 0.21 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.36 2occ s SER 107 Cb -0.11 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2occ s SER 107 CO 0.12 0.23 -0.09 -0.31 0.98 0.00 0.00 173.24 174.16 2occ s TYR 108 N -0.37 2.70 -0.10 5.02 1.51 -0.29 -0.28 117.35 125.54 2occ s TYR 108 Ca 0.05 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2occ s TYR 108 Cb -0.08 -1.37 0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2occ s TYR 108 CO -0.00 0.46 0.06 -1.21 -1.11 0.00 0.00 175.55 173.76 2occ s GLU 109 N -2.50 0.10 -0.36 -0.62 2.02 -0.08 -2.33 118.70 114.93 2occ s GLU 109 Ca 0.23 0.12 -0.09 0.00 0.02 0.00 0.00 54.97 55.25 2occ s GLU 109 Cb -0.10 -1.18 0.03 0.00 0.10 0.00 0.00 34.13 32.98 2occ s GLU 109 CO 0.15 -0.48 0.16 0.71 0.02 0.00 0.00 175.26 175.82 2occ s TYR 110 N 2.12 3.25 -0.07 1.61 1.51 -0.28 -1.41 117.35 124.07 2occ s TYR 110 Ca 0.03 -1.15 0.10 0.00 -1.01 0.00 0.00 57.07 55.04 2occ s TYR 110 Cb -0.14 -2.37 0.15 0.00 -0.11 0.00 0.00 41.96 39.49 2occ s TYR 110 CO -0.06 -0.68 1.04 2.41 -1.11 0.00 0.00 175.55 177.15 2occ n THR 111 N 4.92 1.18 -0.10 -0.71 -1.04 -1.26 -2.29 114.28 114.97 2occ n THR 111 Ca -0.12 -1.37 -0.10 0.00 -2.04 0.00 0.00 64.05 60.42 2occ n THR 111 Cb 0.45 0.16 -0.02 0.00 -1.82 0.00 0.00 70.33 69.10 2occ n THR 111 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2occ h ASP 112 N 0.00 0.42 0.00 8.00 3.32 -1.93 -3.40 116.42 122.83 2occ h ASP 112 Ca 0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2occ h ASP 112 Cb 0.97 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 2occ h ASP 112 CO 0.00 0.45 -0.76 -1.22 -1.72 0.00 0.00 179.24 175.99 2occ n TYR 113 N -4.74 0.00 -1.46 4.55 4.02 -1.26 -5.08 117.16 113.18 2occ n TYR 113 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2occ n TYR 113 Cb 0.12 -0.25 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 2occ n TYR 113 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2occ n GLU 114 N -3.73 3.10 -2.90 -0.72 -0.58 -1.26 -5.06 120.64 109.49 2occ n GLU 114 Ca -0.10 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.45 2occ n GLU 114 Cb 0.34 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.20 2occ n GLU 114 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2occ n ASP 115 N 0.00 2.21 -4.68 1.62 9.92 -1.26 -4.37 116.55 119.99 2occ n ASP 115 Ca 0.00 -3.15 -0.43 0.00 -0.53 0.00 0.00 54.79 50.69 2occ n ASP 115 Cb 0.00 -0.56 -0.02 0.00 -0.64 0.00 0.00 41.12 39.89 2occ n ASP 115 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2occ s LEU 116 N -2.97 4.20 -0.06 0.64 2.96 -0.97 -4.98 118.68 117.49 2occ s LEU 116 Ca 0.39 1.57 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 2occ s LEU 116 Cb 0.37 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.54 2occ s LEU 116 CO -0.07 -0.59 0.15 -0.55 -1.32 0.00 0.00 176.35 173.97 2occ s SER 117 N 1.33 -0.14 0.07 3.68 0.15 -1.26 -1.12 113.70 116.41 2occ s SER 117 Ca 0.50 0.31 -0.13 0.00 0.70 0.00 0.00 55.95 57.32 2occ s SER 117 Cb -0.19 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.39 2occ s SER 117 CO 0.15 -0.10 0.29 0.72 1.20 0.00 0.00 173.24 175.50 2occ s PHE 118 N 0.59 -0.05 0.12 3.44 -0.71 -0.98 -5.01 117.98 115.37 2occ s PHE 118 Ca -0.04 -0.18 -0.08 0.00 -1.04 0.00 0.00 56.93 55.59 2occ s PHE 118 Cb -0.06 0.08 -0.06 0.00 -1.21 0.00 0.00 43.02 41.77 2occ s PHE 118 CO -0.03 -0.54 0.41 -0.51 -1.34 0.00 0.00 175.22 173.21 2occ s ASP 119 N -2.36 6.59 -0.28 1.98 1.01 -1.26 -1.14 116.67 121.20 2occ s ASP 119 Ca -0.01 0.74 -0.00 0.00 0.71 0.00 0.00 52.55 53.98 2occ s ASP 119 Cb 0.01 -2.15 0.09 0.00 1.01 0.00 0.00 42.92 41.87 2occ s ASP 119 CO -0.06 0.10 0.05 -0.55 0.21 0.00 0.00 175.17 174.92 2occ s SER 120 N -2.07 3.86 0.23 0.27 0.15 0.62 -4.59 113.70 112.16 2occ s SER 120 Ca 0.38 -1.45 0.07 0.00 0.70 0.00 0.00 55.95 55.64 2occ s SER 120 Cb -0.13 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 2occ s SER 120 CO 0.21 -0.36 0.18 -0.31 1.20 0.00 0.00 173.24 174.16 2occ s TYR 121 N 1.56 3.11 0.24 3.44 1.51 -1.26 -2.88 117.35 123.07 2occ s TYR 121 Ca 0.05 -0.09 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 2occ s TYR 121 Cb -0.18 -1.43 -0.09 0.00 -0.11 0.00 0.00 41.96 40.16 2occ s TYR 121 CO -0.17 0.52 1.24 1.41 -1.11 0.00 0.00 175.55 177.45 2occ s MET 122 N -3.65 4.45 -0.25 -0.62 -2.45 -1.26 -0.38 119.30 115.14 2occ s MET 122 Ca 0.32 2.00 -0.29 0.00 -1.25 0.00 0.00 55.69 56.47 2occ s MET 122 Cb -0.08 -3.18 0.01 0.00 1.25 0.00 0.00 34.83 32.83 2occ s MET 122 CO 0.24 -0.12 1.10 0.42 1.05 0.00 0.00 175.02 177.72 2occ s ILE 123 N -0.41 4.53 0.45 10.11 1.01 0.16 -4.76 121.20 132.29 2occ s ILE 123 Ca 0.52 1.82 -0.23 0.00 0.00 0.00 0.00 60.65 62.76 2occ s ILE 123 Cb -0.35 -4.29 -0.10 0.00 0.01 0.00 0.00 42.46 37.73 2occ s ILE 123 CO 0.41 -0.29 0.99 -2.65 0.00 0.00 0.00 174.94 173.40 2occ n PRO 124 N 6.60 1.27 0.29 2.79 -0.02 -1.26 -4.77 135.00 139.90 2occ n PRO 124 Ca 0.12 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2occ n PRO 124 Cb 0.46 -2.05 0.85 0.00 -0.02 0.00 0.00 33.50 32.74 2occ n PRO 124 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2occ h THR 125 N 1.37 0.65 -0.00 3.45 1.03 -1.94 -1.48 112.91 115.99 2occ h THR 125 Ca -0.45 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.95 2occ h THR 125 Cb 1.34 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.42 2occ h THR 125 CO 0.56 0.00 -0.02 -1.54 -0.01 0.00 0.00 175.52 174.51 2occ n SER 126 N -4.03 0.02 -0.84 0.00 3.41 -1.26 -3.27 113.62 107.66 2occ n SER 126 Ca -0.03 0.44 0.07 0.00 -0.26 0.00 0.00 58.87 59.09 2occ n SER 126 Cb 0.08 -0.46 0.21 0.00 -0.26 0.00 0.00 64.21 63.79 2occ n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2occ n GLU 127 N -1.49 2.98 -2.67 4.33 1.02 -0.56 -5.00 120.64 119.25 2occ n GLU 127 Ca 0.07 -2.39 -0.40 0.00 -0.02 0.00 0.00 57.16 54.42 2occ n GLU 127 Cb 0.34 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 2occ n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2occ s LEU 128 N -1.61 4.59 0.09 -4.62 1.43 -1.19 -4.90 118.68 112.47 2occ s LEU 128 Ca 0.33 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 55.27 2occ s LEU 128 Cb 0.21 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 2occ s LEU 128 CO 0.15 0.04 0.59 -0.54 0.23 0.00 0.00 176.35 176.83 2occ s LYS 129 N -1.34 4.23 0.02 1.70 1.02 -1.26 -4.95 119.74 119.16 2occ s LYS 129 Ca 0.43 0.77 -0.36 0.00 0.02 0.00 0.00 55.97 56.82 2occ s LYS 129 Cb -0.27 -3.21 -0.19 0.00 -0.52 0.00 0.00 37.83 33.64 2occ s LYS 129 CO 0.34 0.62 0.96 -2.30 -0.92 0.00 0.00 175.35 174.04 2occ n PRO 130 N 1.62 0.00 -0.13 -1.68 -0.02 -1.26 -0.60 135.00 132.93 2occ n PRO 130 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2occ n PRO 130 Cb 0.51 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 2occ n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2occ n GLY 131 N 1.45 1.04 3.82 -1.23 0.00 -1.26 -5.05 105.19 103.96 2occ n GLY 131 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2occ n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2occ s GLU 132 N -0.60 4.22 -0.32 1.61 2.02 0.23 -5.03 118.70 120.83 2occ s GLU 132 Ca 0.00 0.84 -0.29 0.00 0.02 0.00 0.00 54.97 55.54 2occ s GLU 132 Cb 0.00 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.43 2occ s GLU 132 CO 0.00 0.36 1.19 -0.51 0.02 0.00 0.00 175.26 176.32 2occ s LEU 133 N -2.12 3.89 0.00 1.80 1.43 -1.26 -4.90 118.68 117.51 2occ s LEU 133 Ca 0.45 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 2occ s LEU 133 Cb -0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2occ s LEU 133 CO 0.20 -1.01 0.15 -1.14 0.23 0.00 0.00 176.35 174.79 2occ n ARG 134 N 7.16 0.00 -0.51 1.70 0.63 -1.26 -1.67 116.66 122.71 2occ n ARG 134 Ca 0.13 0.15 0.07 0.00 -0.92 0.00 0.00 57.85 57.28 2occ n ARG 134 Cb 0.47 -0.34 0.28 0.00 0.45 0.00 0.00 32.46 33.32 2occ n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2occ n LEU 135 N -0.54 3.89 -0.01 6.15 4.77 -1.26 -4.36 117.00 125.64 2occ n LEU 135 Ca 0.00 -1.96 0.06 0.00 -0.03 0.00 0.00 56.01 54.08 2occ n LEU 135 Cb 0.00 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 40.46 2occ n LEU 135 CO 0.00 0.62 -0.66 0.18 -1.33 0.00 0.00 177.39 176.20 2occ n LEU 136 N 0.75 0.00 -4.75 2.23 4.77 -0.67 -4.65 117.00 114.68 2occ n LEU 136 Ca 0.20 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 2occ n LEU 136 Cb 0.75 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.80 2occ n LEU 136 CO 0.20 0.01 0.68 -1.61 -1.33 0.00 0.00 177.39 175.33 2occ s GLU 137 N -2.91 4.80 0.06 3.23 0.41 -0.98 -4.70 118.70 118.60 2occ s GLU 137 Ca -0.05 1.55 0.07 0.00 -0.41 0.00 0.00 54.97 56.13 2occ s GLU 137 Cb 0.08 -3.27 -0.04 0.00 -1.78 0.00 0.00 34.13 29.13 2occ s GLU 137 CO 0.55 0.42 -0.16 0.54 -0.49 0.00 0.00 175.26 176.13 2occ s VAL 138 N -1.03 2.99 0.09 2.63 0.11 -1.26 0.38 120.40 124.30 2occ s VAL 138 Ca 0.42 -1.22 -0.18 0.00 -2.93 0.00 0.00 61.98 58.08 2occ s VAL 138 Cb -0.27 -2.31 -0.08 0.00 -1.53 0.00 0.00 36.38 32.19 2occ s VAL 138 CO 0.33 0.26 1.49 -2.24 -3.33 0.00 0.00 175.10 171.61 2occ h ASP 139 N 4.23 0.51 -3.67 3.54 3.04 -1.01 -3.41 116.42 119.65 2occ h ASP 139 Ca -0.48 -0.36 -0.68 0.00 -3.24 0.00 0.00 57.03 52.27 2occ h ASP 139 Cb 1.16 -0.14 -0.36 0.00 -1.04 0.00 0.00 39.33 38.95 2occ h ASP 139 CO 0.49 0.75 -0.67 0.20 -2.04 0.00 0.00 179.24 177.96 2occ s ASN 140 N -6.10 4.91 0.80 4.15 0.01 -1.26 -5.02 114.94 112.42 2occ s ASN 140 Ca -0.13 -1.78 -0.11 0.00 -0.71 0.00 0.00 52.86 50.13 2occ s ASN 140 Cb 0.08 -1.70 0.07 0.00 0.41 0.00 0.00 41.25 40.10 2occ s ASN 140 CO 0.77 -0.37 1.09 -0.13 -1.51 0.00 0.00 177.10 176.94 2occ s ARG 141 N 1.10 2.08 -0.50 -0.60 0.52 -1.26 -4.65 118.95 115.63 2occ s ARG 141 Ca 0.03 0.99 -0.17 0.00 -0.52 0.00 0.00 55.73 56.06 2occ s ARG 141 Cb -0.20 -1.89 0.08 0.00 0.52 0.00 0.00 34.95 33.45 2occ s ARG 141 CO -0.05 -1.72 0.50 0.14 0.02 0.00 0.00 175.30 174.20 2occ s VAL 142 N -2.96 5.10 0.14 3.52 -7.23 -0.77 -4.94 120.40 113.27 2occ s VAL 142 Ca 0.61 -0.95 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 2occ s VAL 142 Cb -0.17 -4.23 -0.07 0.00 0.56 0.00 0.00 36.38 32.47 2occ s VAL 142 CO 0.56 -0.72 0.86 -0.69 -0.31 0.00 0.00 175.10 174.80 2occ s VAL 143 N 2.00 4.41 -0.00 1.32 1.01 -1.26 -1.43 120.40 126.44 2occ s VAL 143 Ca 0.08 1.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.81 2occ s VAL 143 Cb -0.24 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.93 2occ s VAL 143 CO 0.08 0.43 0.25 -0.76 0.00 0.00 0.00 175.10 175.10 2occ s LEU 144 N -0.62 1.09 0.08 3.92 1.43 -0.76 -4.94 118.68 118.88 2occ s LEU 144 Ca 0.40 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.17 2occ s LEU 144 Cb -0.23 1.08 -0.06 0.00 0.03 0.00 0.00 46.19 47.01 2occ s LEU 144 CO 0.28 -0.44 1.12 -2.16 0.23 0.00 0.00 176.35 175.38 2occ s PRO 145 N -1.45 4.51 1.09 1.29 0.04 -1.26 -2.60 135.00 136.62 2occ s PRO 145 Ca -0.13 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 2occ s PRO 145 Cb -0.06 -3.36 0.24 0.00 0.04 0.00 0.00 34.50 31.36 2occ s PRO 145 CO 0.03 -0.12 1.08 0.00 0.04 0.00 0.00 177.00 178.03 2occ s MET 146 N 0.68 -0.35 -0.77 4.56 0.23 0.21 -3.84 119.30 120.02 2occ s MET 146 Ca 0.55 0.38 0.00 0.00 -1.03 0.00 0.00 55.69 55.58 2occ s MET 146 Cb -0.27 -1.66 0.00 0.00 -1.53 0.00 0.00 34.83 31.37 2occ s MET 146 CO 0.30 -3.22 0.00 0.39 -2.03 0.00 0.00 175.02 170.46 2occ n GLU 147 N -4.49 -2.00 -4.40 3.16 1.02 -0.70 -4.76 120.64 108.46 2occ n GLU 147 Ca 0.07 0.43 -0.20 0.00 -0.02 0.00 0.00 57.16 57.44 2occ n GLU 147 Cb 0.58 -4.84 -0.14 0.00 -0.02 0.00 0.00 31.44 27.01 2occ n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2occ s MET 148 N -4.16 0.92 -0.39 3.49 -1.94 -1.25 -5.02 119.30 110.96 2occ s MET 148 Ca 0.00 -0.64 -0.29 0.00 -1.71 0.00 0.00 55.69 53.05 2occ s MET 148 Cb 0.00 -0.91 0.02 0.00 2.01 0.00 0.00 34.83 35.95 2occ s MET 148 CO 0.00 0.23 1.21 0.99 -0.01 0.00 0.00 175.02 177.45 2occ s THR 149 N -0.67 4.20 -0.06 2.05 2.01 -1.26 -4.47 115.64 117.43 2occ s THR 149 Ca 0.02 1.29 0.01 0.00 0.31 0.00 0.00 61.69 63.32 2occ s THR 149 Cb -0.07 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 2occ s THR 149 CO 0.01 -0.73 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.52 2occ s ILE 150 N 4.45 3.82 -0.27 1.82 1.01 -0.44 -2.21 121.20 129.38 2occ s ILE 150 Ca 0.52 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 2occ s ILE 150 Cb -0.12 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 2occ s ILE 150 CO 0.26 0.58 0.17 -0.60 0.00 0.00 0.00 174.94 175.35 2occ s ARG 151 N -0.89 3.94 -0.13 2.79 3.52 -0.03 -1.13 118.95 127.01 2occ s ARG 151 Ca 0.13 -0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.34 2occ s ARG 151 Cb -0.11 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 2occ s ARG 151 CO 0.02 -0.15 0.09 -1.64 -0.81 0.00 0.00 175.30 172.81 2occ s MET 152 N 1.64 3.47 -0.16 5.12 -1.94 -0.48 -0.94 119.30 126.01 2occ s MET 152 Ca 0.07 -0.25 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 2occ s MET 152 Cb -0.16 -3.10 0.01 0.00 2.01 0.00 0.00 34.83 33.59 2occ s MET 152 CO 0.09 0.63 -0.18 -0.51 -0.01 0.00 0.00 175.02 175.03 2occ s LEU 153 N -0.62 2.25 -0.08 -0.03 1.43 -0.25 -1.62 118.68 119.76 2occ s LEU 153 Ca 0.12 -0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2occ s LEU 153 Cb -0.12 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2occ s LEU 153 CO 0.02 0.04 0.01 -0.69 0.23 0.00 0.00 176.35 175.96 2occ s VAL 154 N 1.05 4.35 0.16 -1.59 1.01 0.14 -0.97 120.40 124.56 2occ s VAL 154 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2occ s VAL 154 Cb -0.14 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2occ s VAL 154 CO -0.06 0.60 0.40 -0.24 0.00 0.00 0.00 175.10 175.79 2occ n SER 155 N 2.10 -1.01 -3.83 3.32 2.88 -0.97 -1.20 113.62 114.91 2occ n SER 155 Ca -0.18 -1.67 -0.10 0.00 -1.33 0.00 0.00 58.87 55.59 2occ n SER 155 Cb 0.54 1.68 -0.07 0.00 -0.75 0.00 0.00 64.21 65.60 2occ n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2occ s SER 156 N -2.01 0.04 0.00 -3.46 0.15 -1.25 -0.73 113.70 106.44 2occ s SER 156 Ca 0.08 -0.48 0.16 0.00 0.70 0.00 0.00 55.95 56.41 2occ s SER 156 Cb -0.02 0.33 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 2occ s SER 156 CO 0.05 -0.67 0.90 -0.62 1.20 0.00 0.00 173.24 174.10 2occ n GLU 157 N 0.26 1.53 0.00 5.44 1.02 -0.78 -4.04 120.64 124.06 2occ n GLU 157 Ca -0.17 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 2occ n GLU 157 Cb 0.61 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 2occ n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2occ n ASP 158 N 0.29 0.00 -4.24 1.62 5.68 -1.26 -5.04 116.55 113.59 2occ n ASP 158 Ca 0.08 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.16 2occ n ASP 158 Cb 0.35 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.45 2occ n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2occ n VAL 159 N 0.00 0.00 -2.29 2.12 0.24 -1.26 -4.68 118.33 112.46 2occ n VAL 159 Ca 0.00 -1.37 -0.33 0.00 -2.04 0.00 0.00 64.34 60.60 2occ n VAL 159 Cb 0.00 -0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 31.37 2occ n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2occ s LEU 160 N 0.00 3.62 0.27 1.34 1.43 -1.26 -4.68 118.68 119.39 2occ s LEU 160 Ca 0.60 1.74 -0.05 0.00 -1.03 0.00 0.00 54.13 55.39 2occ s LEU 160 Cb -0.03 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 2occ s LEU 160 CO 0.40 -0.86 0.35 -1.00 0.23 0.00 0.00 176.35 175.47 2occ s HIS 161 N -2.42 0.92 -0.05 0.29 3.76 -0.56 -4.52 115.29 112.70 2occ s HIS 161 Ca 0.62 -1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.35 2occ s HIS 161 Cb -0.14 -0.20 0.04 0.00 1.11 0.00 0.00 32.58 33.39 2occ s HIS 161 CO 0.31 -0.91 0.11 0.45 -0.85 0.00 0.00 174.74 173.85 2occ s SER 162 N -3.15 0.06 -0.35 1.40 0.15 -1.26 -0.07 113.70 110.47 2occ s SER 162 Ca 0.31 0.22 -0.18 0.00 0.70 0.00 0.00 55.95 57.00 2occ s SER 162 Cb 0.02 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.43 2occ s SER 162 CO 0.15 -0.15 0.50 0.86 1.20 0.00 0.00 173.24 175.79 2occ s TRP 163 N 1.27 3.18 0.04 3.44 -0.00 -0.07 -1.22 118.94 125.58 2occ s TRP 163 Ca -0.08 0.12 0.02 0.00 -0.00 0.00 0.00 56.10 56.16 2occ s TRP 163 Cb -0.12 -2.90 -0.02 0.00 -0.00 0.00 0.00 33.47 30.42 2occ s TRP 163 CO -0.05 -0.54 -0.07 0.00 -0.00 0.00 0.00 176.95 176.29 2occ s ALA 164 N 2.35 0.48 -0.35 5.86 0.00 -1.26 -2.03 121.76 126.81 2occ s ALA 164 Ca 0.18 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2occ s ALA 164 Cb -0.16 0.06 0.14 0.00 0.00 0.00 0.00 23.12 23.16 2occ s ALA 164 CO 0.13 -0.04 0.26 0.08 0.00 0.00 0.00 175.76 176.19 2occ s VAL 165 N -1.33 -0.07 0.17 0.00 1.01 -0.58 -3.34 120.40 116.26 2occ s VAL 165 Ca -0.11 -1.29 -0.27 0.00 0.00 0.00 0.00 61.98 60.31 2occ s VAL 165 Cb -0.10 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2occ s VAL 165 CO 0.00 -0.80 1.55 -0.65 0.00 0.00 0.00 175.10 175.20 2occ h PRO 166 N 7.26 -0.08 -0.03 2.72 0.11 -1.75 -0.43 132.00 139.79 2occ h PRO 166 Ca 0.02 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.14 2occ h PRO 166 Cb 1.01 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2occ h PRO 166 CO 0.27 -0.05 0.15 0.66 -0.21 0.00 0.00 178.00 178.81 2occ h SER 167 N -0.08 0.00 0.02 -2.05 4.64 -1.84 0.25 113.55 114.49 2occ h SER 167 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2occ h SER 167 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2occ h SER 167 CO -0.87 0.00 -0.69 0.18 -0.87 0.00 0.00 176.83 174.58 2occ n LEU 168 N -3.17 1.50 -1.44 5.97 4.77 -0.22 -1.07 117.00 123.34 2occ n LEU 168 Ca -0.02 -0.60 -0.06 0.00 -0.03 0.00 0.00 56.01 55.31 2occ n LEU 168 Cb 0.22 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2occ n LEU 168 CO 0.19 0.31 0.05 0.61 -1.33 0.00 0.00 177.39 177.22 2occ n GLY 169 N 1.45 0.44 3.19 -0.72 0.00 0.87 -4.40 105.19 106.04 2occ n GLY 169 Ca 0.07 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 2occ n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2occ s LEU 170 N -2.85 2.16 -0.30 0.99 1.43 -1.15 -4.91 118.68 114.05 2occ s LEU 170 Ca 0.10 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 2occ s LEU 170 Cb -0.05 -0.79 0.18 0.00 0.03 0.00 0.00 46.19 45.56 2occ s LEU 170 CO 0.19 0.11 0.93 -0.75 0.23 0.00 0.00 176.35 177.07 2occ s LYS 171 N -1.08 0.29 -0.03 1.70 2.47 -1.25 -1.53 119.74 120.30 2occ s LYS 171 Ca 0.05 0.55 0.01 0.00 -1.56 0.00 0.00 55.97 55.02 2occ s LYS 171 Cb -0.08 0.31 0.02 0.00 -1.46 0.00 0.00 37.83 36.62 2occ s LYS 171 CO 0.01 -0.29 -0.04 0.99 0.16 0.00 0.00 175.35 176.18 2occ s THR 172 N 2.86 0.49 0.48 3.43 2.01 -0.86 -4.98 115.64 119.07 2occ s THR 172 Ca 0.04 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2occ s THR 172 Cb -0.11 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 2occ s THR 172 CO -0.14 0.20 1.06 -1.81 -0.69 0.00 0.00 174.62 173.24 2occ s ASP 173 N 0.70 6.27 -0.42 3.53 1.01 -1.26 -0.89 116.67 125.60 2occ s ASP 173 Ca -0.09 2.01 -0.09 0.00 0.71 0.00 0.00 52.55 55.09 2occ s ASP 173 Cb -0.12 -2.57 0.08 0.00 1.01 0.00 0.00 42.92 41.32 2occ s ASP 173 CO 0.00 -0.83 0.27 0.00 0.21 0.00 0.00 175.17 174.82 2occ s ALA 174 N -1.87 3.30 -0.14 5.23 0.00 0.90 -4.68 121.76 124.51 2occ s ALA 174 Ca 0.67 -2.20 0.02 0.00 0.00 0.00 0.00 51.96 50.44 2occ s ALA 174 Cb -0.19 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.26 2occ s ALA 174 CO 0.23 -1.68 -0.18 0.42 0.00 0.00 0.00 175.76 174.54 2occ s ILE 175 N 1.42 2.44 0.25 0.00 1.01 -1.26 -1.50 121.20 123.55 2occ s ILE 175 Ca 0.03 -0.86 -0.31 0.00 0.00 0.00 0.00 60.65 59.52 2occ s ILE 175 Cb -0.23 -2.00 -0.13 0.00 0.01 0.00 0.00 42.46 40.11 2occ s ILE 175 CO 0.02 0.53 1.38 -2.65 0.00 0.00 0.00 174.94 174.22 2occ n PRO 176 N 3.87 2.01 -0.98 2.79 -0.02 -1.26 -1.41 135.00 140.00 2occ n PRO 176 Ca -0.19 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2occ n PRO 176 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2occ n PRO 176 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2occ n GLY 177 N 1.95 0.90 3.18 -1.23 0.00 -1.26 -4.96 105.19 103.77 2occ n GLY 177 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 2occ n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2occ s ARG 178 N -0.05 0.96 -0.33 1.61 3.52 -0.50 -5.12 118.95 119.04 2occ s ARG 178 Ca 0.00 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2occ s ARG 178 Cb 0.00 -1.01 0.08 0.00 -1.56 0.00 0.00 34.95 32.45 2occ s ARG 178 CO 0.00 0.24 0.03 -0.51 -0.81 0.00 0.00 175.30 174.26 2occ s LEU 179 N -1.45 4.33 -0.10 -0.88 1.43 -1.26 -4.44 118.68 116.31 2occ s LEU 179 Ca 0.02 -1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 51.30 2occ s LEU 179 Cb -0.09 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2occ s LEU 179 CO 0.02 -0.34 0.27 0.20 0.23 0.00 0.00 176.35 176.73 2occ s ASN 180 N 1.25 6.52 -0.09 2.29 0.01 -0.34 -4.88 114.94 119.70 2occ s ASN 180 Ca 0.01 0.62 -0.02 0.00 -0.71 0.00 0.00 52.86 52.76 2occ s ASN 180 Cb -0.20 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.26 2occ s ASN 180 CO -0.04 0.27 0.00 -1.58 -1.51 0.00 0.00 177.10 174.23 2occ s GLN 181 N -0.46 3.05 0.10 -0.60 0.74 -1.26 0.26 119.66 121.48 2occ s GLN 181 Ca 0.18 -0.41 -0.03 0.00 0.05 0.00 0.00 55.36 55.14 2occ s GLN 181 Cb -0.14 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 2occ s GLN 181 CO 0.06 0.66 0.09 -0.08 -0.55 0.00 0.00 175.29 175.48 2occ s THR 182 N -0.78 0.14 -0.22 -0.34 -1.32 -0.64 -5.00 115.64 107.48 2occ s THR 182 Ca 0.12 -1.68 -0.04 0.00 -1.21 0.00 0.00 61.69 58.88 2occ s THR 182 Cb -0.11 -1.73 -0.01 0.00 -1.51 0.00 0.00 72.50 69.13 2occ s THR 182 CO 0.02 -0.64 -0.03 -0.89 -2.21 0.00 0.00 174.62 170.87 2occ s THR 183 N -3.96 3.42 -0.11 5.08 2.01 -1.26 -1.38 115.64 119.43 2occ s THR 183 Ca 0.14 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 2occ s THR 183 Cb 0.07 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2occ s THR 183 CO -0.04 0.41 0.14 -0.22 -0.69 0.00 0.00 174.62 174.21 2occ s LEU 184 N 1.48 4.36 -0.35 4.42 0.20 -0.28 -4.98 118.68 123.53 2occ s LEU 184 Ca 0.06 0.45 0.05 0.00 0.69 0.00 0.00 54.13 55.37 2occ s LEU 184 Cb -0.14 -2.08 0.19 0.00 -0.43 0.00 0.00 46.19 43.73 2occ s LEU 184 CO -0.03 0.40 0.67 -0.32 -0.29 0.00 0.00 176.35 176.79 2occ s MET 185 N -1.06 0.62 0.10 1.98 1.75 -1.26 -1.32 119.30 120.11 2occ s MET 185 Ca 0.15 0.12 -0.19 0.00 -1.25 0.00 0.00 55.69 54.53 2occ s MET 185 Cb -0.12 0.16 -0.07 0.00 2.84 0.00 0.00 34.83 37.64 2occ s MET 185 CO 0.04 -1.00 0.59 0.45 -0.65 0.00 0.00 175.02 174.45 2occ s SER 186 N 2.35 7.06 -0.11 1.11 0.15 -1.26 -4.42 113.70 118.58 2occ s SER 186 Ca 0.14 1.28 0.16 0.00 0.70 0.00 0.00 55.95 58.23 2occ s SER 186 Cb -0.06 -2.36 0.59 0.00 -1.71 0.00 0.00 66.02 62.48 2occ s SER 186 CO -0.17 0.23 1.51 -1.54 1.20 0.00 0.00 173.24 174.47 2occ n SER 187 N 1.52 4.20 -3.68 5.45 3.41 -0.56 -1.72 113.62 122.25 2occ n SER 187 Ca -0.09 -2.49 -0.13 0.00 -0.26 0.00 0.00 58.87 55.89 2occ n SER 187 Cb 0.51 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2occ n SER 187 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2occ s ARG 188 N -1.91 0.86 0.77 4.33 0.52 -1.26 -4.89 118.95 117.38 2occ s ARG 188 Ca 0.43 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.31 2occ s ARG 188 Cb 0.29 0.39 0.09 0.00 0.52 0.00 0.00 34.95 36.24 2occ s ARG 188 CO 0.19 -0.28 1.10 -1.25 0.02 0.00 0.00 175.30 175.08 2occ s PRO 189 N -2.00 1.90 0.00 3.54 0.04 -1.26 -4.84 135.00 132.37 2occ s PRO 189 Ca -0.08 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2occ s PRO 189 Cb -0.02 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2occ s PRO 189 CO 0.01 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.96 2occ n GLY 190 N -3.13 0.91 3.49 0.56 0.00 -0.50 -4.90 105.19 101.63 2occ n GLY 190 Ca 0.09 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 2occ n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2occ s LEU 191 N 0.00 3.20 -0.12 0.99 1.43 -1.26 -0.61 118.68 122.31 2occ s LEU 191 Ca 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2occ s LEU 191 Cb 0.00 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2occ s LEU 191 CO 0.00 0.18 -0.11 -0.31 0.23 0.00 0.00 176.35 176.35 2occ s TYR 192 N 0.29 1.75 0.24 0.29 2.02 0.05 -4.81 117.35 117.19 2occ s TYR 192 Ca -0.04 -0.91 0.01 0.00 -0.37 0.00 0.00 57.07 55.76 2occ s TYR 192 Cb -0.14 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2occ s TYR 192 CO 0.03 -0.56 0.41 0.71 -1.57 0.00 0.00 175.55 174.57 2occ s TYR 193 N 1.55 3.48 0.25 2.71 1.51 -1.26 -0.82 117.35 124.76 2occ s TYR 193 Ca 0.04 0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 56.16 2occ s TYR 193 Cb -0.13 -1.78 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 2occ s TYR 193 CO -0.08 0.35 0.58 0.20 -1.11 0.00 0.00 175.55 175.49 2occ s GLY 194 N -3.56 0.16 0.05 0.71 0.00 0.23 -4.23 107.32 100.68 2occ s GLY 194 Ca 0.37 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 2occ s GLY 194 CO 0.31 -0.34 -0.03 1.20 0.00 0.00 0.00 173.10 174.24 2occ s GLN 195 N -3.95 0.56 0.02 2.90 -0.21 -1.21 -0.97 119.66 116.80 2occ s GLN 195 Ca 0.15 -1.09 -0.32 0.00 0.02 0.00 0.00 55.36 54.12 2occ s GLN 195 Cb -0.03 0.15 -0.11 0.00 1.00 0.00 0.00 33.01 34.02 2occ s GLN 195 CO 0.06 -0.09 1.87 0.00 -2.12 0.00 0.00 175.29 175.01 2occ n SER 197 N 6.34 6.62 -3.60 0.00 7.64 -0.36 -4.87 113.62 125.39 2occ n SER 197 Ca 0.20 -3.78 -0.02 0.00 1.01 0.00 0.00 58.87 56.28 2occ n SER 197 Cb 0.34 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 2occ n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2occ s GLU 198 N -3.76 0.54 0.17 1.43 2.56 -1.26 -4.48 118.70 113.90 2occ s GLU 198 Ca 0.58 1.16 -0.34 0.00 0.00 0.00 0.00 54.97 56.37 2occ s GLU 198 Cb 0.46 0.48 -0.14 0.00 2.00 0.00 0.00 34.13 36.94 2occ s GLU 198 CO -0.05 -0.15 1.51 1.51 -0.56 0.00 0.00 175.26 177.53 2occ n ILE 199 N 4.81 0.22 -1.79 -3.70 3.06 -1.26 -4.49 119.36 116.21 2occ n ILE 199 Ca -0.15 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 2occ n ILE 199 Cb 0.54 -1.45 0.00 0.00 0.54 0.00 0.00 39.64 39.26 2occ n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2occ n GLY 201 N 0.00 0.09 0.48 0.00 0.00 -1.26 -4.80 105.19 99.70 2occ n GLY 201 Ca 0.00 -2.29 0.35 0.00 0.00 0.00 0.00 46.02 44.08 2occ n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2occ h SER 202 N 0.00 0.24 -0.52 1.61 0.02 -2.03 -2.08 113.55 110.79 2occ h SER 202 Ca 0.00 0.09 -0.36 0.00 -0.84 0.00 0.00 61.79 60.69 2occ h SER 202 Cb 0.00 0.07 -0.25 0.00 0.14 0.00 0.00 62.40 62.36 2occ h SER 202 CO 0.00 -0.08 -0.43 0.59 -1.14 0.00 0.00 176.83 175.77 2occ n ASN 203 N -4.54 3.93 -0.13 3.07 4.13 -1.26 -4.75 115.26 115.70 2occ n ASN 203 Ca 0.34 -3.80 0.09 0.00 1.68 0.00 0.00 54.58 52.89 2occ n ASN 203 Cb 1.33 -0.51 0.43 0.00 -1.54 0.00 0.00 39.78 39.49 2occ n ASN 203 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 2occ h HIS 204 N 1.64 0.60 -0.00 3.10 -0.00 -1.68 -1.06 115.15 117.75 2occ h HIS 204 Ca 0.28 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 2occ h HIS 204 Cb 1.37 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 2occ h HIS 204 CO 0.93 0.30 -0.11 0.43 -0.00 0.00 0.00 177.93 179.48 2occ n SER 205 N -4.48 0.12 -2.80 3.26 7.64 -1.26 -4.23 113.62 111.87 2occ n SER 205 Ca 0.10 0.32 -0.30 0.00 1.01 0.00 0.00 58.87 60.00 2occ n SER 205 Cb 0.30 -0.33 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 2occ n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2occ n PHE 206 N -1.49 3.55 -2.90 1.43 3.72 -0.40 -4.81 117.46 116.56 2occ n PHE 206 Ca 0.07 -3.31 -0.13 0.00 -0.05 0.00 0.00 57.45 54.03 2occ n PHE 206 Cb 0.34 -0.45 0.02 0.00 -0.94 0.00 0.00 39.48 38.45 2occ n PHE 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2occ n MET 207 N -0.37 0.81 -1.39 -1.08 0.00 -1.26 -4.66 117.12 109.18 2occ n MET 207 Ca 0.38 -2.27 -0.29 0.00 0.00 0.00 0.00 57.70 55.52 2occ n MET 207 Cb 0.48 -1.36 0.16 0.00 0.00 0.00 0.00 33.22 32.51 2occ n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2occ s PRO 208 N -0.09 0.63 -0.07 3.17 0.04 -1.26 -3.55 135.00 133.87 2occ s PRO 208 Ca 0.32 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.67 2occ s PRO 208 Cb 0.23 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 33.01 2occ s PRO 208 CO -0.17 -2.55 -0.10 0.42 0.04 0.00 0.00 177.00 174.64 2occ s ILE 209 N -3.18 1.02 -0.09 0.56 1.01 -0.14 -4.80 121.20 115.59 2occ s ILE 209 Ca 0.65 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2occ s ILE 209 Cb -0.15 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.38 2occ s ILE 209 CO 0.55 0.33 -0.09 -0.69 0.00 0.00 0.00 174.94 175.05 2occ s VAL 210 N 0.80 0.99 -0.16 2.92 1.01 -1.26 -0.60 120.40 124.11 2occ s VAL 210 Ca -0.12 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2occ s VAL 210 Cb -0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2occ s VAL 210 CO 0.02 0.34 0.06 -0.76 0.00 0.00 0.00 175.10 174.77 2occ s LEU 211 N 1.24 3.87 -0.28 3.92 1.02 -0.00 -1.84 118.68 126.61 2occ s LEU 211 Ca -0.04 0.16 -0.01 0.00 0.02 0.00 0.00 54.13 54.25 2occ s LEU 211 Cb -0.14 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.15 2occ s LEU 211 CO -0.03 0.25 -0.03 -0.70 0.02 0.00 0.00 176.35 175.86 2occ s GLU 212 N -0.07 2.58 -0.31 1.70 2.12 -0.51 -0.77 118.70 123.43 2occ s GLU 212 Ca 0.07 -1.16 -0.09 0.00 0.36 0.00 0.00 54.97 54.15 2occ s GLU 212 Cb -0.12 -3.09 -0.00 0.00 0.26 0.00 0.00 34.13 31.18 2occ s GLU 212 CO 0.01 -0.53 0.14 -0.51 -0.54 0.00 0.00 175.26 173.83 2occ s LEU 213 N 1.27 4.09 0.29 2.70 1.02 0.22 -1.82 118.68 126.45 2occ s LEU 213 Ca -0.03 -0.61 0.05 0.00 0.02 0.00 0.00 54.13 53.56 2occ s LEU 213 Cb -0.19 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 43.99 2occ s LEU 213 CO -0.03 -0.21 0.00 0.68 0.02 0.00 0.00 176.35 176.82 2occ s VAL 214 N 1.58 1.31 0.84 -1.59 -7.23 -1.07 -1.42 120.40 112.82 2occ s VAL 214 Ca 0.04 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 2occ s VAL 214 Cb -0.17 -2.57 0.10 0.00 0.56 0.00 0.00 36.38 34.29 2occ s VAL 214 CO 0.05 -0.18 1.13 -2.84 -0.31 0.00 0.00 175.10 172.95 2occ s PRO 215 N -3.83 1.65 0.14 4.82 0.02 -1.26 -0.62 135.00 135.92 2occ s PRO 215 Ca 0.32 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.45 2occ s PRO 215 Cb 0.06 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.72 2occ s PRO 215 CO 0.13 -2.14 1.56 1.25 -0.33 0.00 0.00 177.00 177.47 2occ h LEU 216 N -1.41 -1.62 -0.98 -5.54 6.46 -1.93 -1.96 115.31 108.33 2occ h LEU 216 Ca -0.44 0.23 0.21 0.00 -0.12 0.00 0.00 57.88 57.76 2occ h LEU 216 Cb 1.25 0.68 -0.11 0.00 -0.73 0.00 0.00 40.66 41.75 2occ h LEU 216 CO 0.46 -0.40 0.56 0.07 -0.62 0.00 0.00 178.44 178.52 2occ h LYS 217 N -0.39 0.63 0.00 1.25 2.10 -2.01 0.63 116.57 118.78 2occ h LYS 217 Ca 0.10 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.62 2occ h LYS 217 Cb 0.60 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2occ h LYS 217 CO -0.56 0.42 -0.43 1.88 -2.00 0.00 0.00 179.45 178.75 2occ h TYR 218 N 0.65 0.00 -0.14 0.07 -1.99 -1.74 -3.08 116.97 110.75 2occ h TYR 218 Ca 0.59 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.29 2occ h TYR 218 Cb 1.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.72 2occ h TYR 218 CO -0.03 0.43 -0.01 0.35 -0.00 0.00 0.00 178.16 178.90 2occ h PHE 219 N 0.00 0.28 -0.41 4.88 3.57 0.90 -2.73 116.94 123.43 2occ h PHE 219 Ca -0.00 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.51 2occ h PHE 219 Cb 0.94 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 2occ h PHE 219 CO 0.00 0.51 0.06 0.93 -2.23 0.00 0.00 178.31 177.58 2occ h GLU 220 N -0.03 0.18 -0.10 1.11 5.08 -1.20 0.08 114.58 119.69 2occ h GLU 220 Ca 0.04 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2occ h GLU 220 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2occ h GLU 220 CO 0.01 0.12 -0.40 0.87 -1.00 0.00 0.00 179.01 178.61 2occ h LYS 221 N 0.18 0.21 -0.32 2.33 1.57 -1.59 -2.54 116.57 116.41 2occ h LYS 221 Ca 0.20 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2occ h LYS 221 Cb 0.26 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2occ h LYS 221 CO -0.28 0.58 -0.04 2.35 -0.57 0.00 0.00 179.45 181.49 2occ h TRP 222 N 0.18 0.65 -0.24 -1.35 7.01 -1.05 -1.28 115.95 119.86 2occ h TRP 222 Ca 0.02 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 60.94 2occ h TRP 222 Cb 0.79 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.64 2occ h TRP 222 CO 0.01 0.74 -0.08 0.77 -2.79 0.00 0.00 178.44 177.09 2occ h SER 223 N 0.37 -0.30 -0.98 2.65 0.02 -0.68 -1.67 113.55 112.96 2occ h SER 223 Ca 0.08 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2occ h SER 223 Cb 0.51 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 2occ h SER 223 CO 0.02 -0.11 0.65 0.00 -1.14 0.00 0.00 176.83 176.25 2occ h ALA 224 N 1.19 1.26 0.00 3.77 0.00 -1.33 -1.59 119.26 122.56 2occ h ALA 224 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2occ h ALA 224 Cb 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2occ h ALA 224 CO -0.27 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.26 2occ h SER 225 N 1.32 0.00 -0.28 0.00 4.64 -0.49 -2.45 113.55 116.30 2occ h SER 225 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2occ h SER 225 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2occ h SER 225 CO -0.09 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.10 2occ n MET 226 N -2.66 1.85 -0.04 4.77 2.81 -0.60 -5.09 117.12 118.17 2occ n MET 226 Ca 0.01 -1.30 0.00 0.00 -1.81 0.00 0.00 57.70 54.61 2occ n MET 226 Cb 0.27 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 2occ n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76