#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 0.33 3.17 0.00 -1.26 -4.77 121.76 122.84 2occ s ALA 2 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.01 2occ s ALA 2 Cb 0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 2occ s ALA 2 CO 0.00 0.42 0.15 1.52 0.00 0.00 0.00 175.76 177.84 2occ s TYR 3 N -1.09 2.75 0.58 0.00 1.13 -1.26 -5.08 117.35 114.38 2occ s TYR 3 Ca 0.28 -0.34 -0.20 0.00 -1.41 0.00 0.00 57.07 55.39 2occ s TYR 3 Cb -0.19 -1.59 -0.04 0.00 -1.10 0.00 0.00 41.96 39.05 2occ s TYR 3 CO 0.17 0.36 1.34 -2.14 -2.51 0.00 0.00 175.55 172.78 2occ s PRO 4 N -3.84 2.94 -1.43 -3.49 0.02 -1.26 -2.98 135.00 124.96 2occ s PRO 4 Ca 0.37 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.49 2occ s PRO 4 Cb -0.04 -2.12 0.04 0.00 0.02 0.00 0.00 34.50 32.41 2occ s PRO 4 CO 0.23 -1.33 0.60 -1.33 -0.33 0.00 0.00 177.00 174.84 2occ n MET 5 N -1.32 -4.39 -2.67 5.54 2.81 -1.26 -4.96 117.12 110.87 2occ n MET 5 Ca 0.12 0.69 -0.39 0.00 -1.81 0.00 0.00 57.70 56.32 2occ n MET 5 Cb 0.46 -5.50 -0.05 0.00 -0.71 0.00 0.00 33.22 27.42 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 -5.92 4.61 -0.19 0.03 0.74 -1.16 -4.97 119.66 112.80 2occ s GLN 6 Ca 0.38 1.51 -0.08 0.00 0.05 0.00 0.00 55.36 57.22 2occ s GLN 6 Cb -0.19 -2.99 -0.09 0.00 1.10 0.00 0.00 33.01 30.85 2occ s GLN 6 CO 0.47 0.27 -0.24 1.28 -0.55 0.00 0.00 175.29 176.52 2occ n LEU 7 N 0.88 1.62 0.00 3.68 4.32 -1.26 -5.08 117.00 121.15 2occ n LEU 7 Ca 0.01 0.19 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 2occ n LEU 7 Cb 0.48 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 2occ n LEU 7 CO 0.48 0.47 0.00 0.61 -1.22 0.00 0.00 177.39 177.73 2occ n GLY 8 N 1.91 1.96 3.79 -0.72 0.00 -1.26 -5.10 105.19 105.76 2occ n GLY 8 Ca -0.37 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 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 2.25 2.78 0.64 1.61 0.08 -1.26 -5.01 117.98 119.07 2occ s PHE 9 Ca 0.00 1.53 -0.17 0.00 0.12 0.00 0.00 56.93 58.41 2occ s PHE 9 Cb 0.00 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.36 2occ s PHE 9 CO 0.00 -1.47 1.16 -0.65 -0.10 0.00 0.00 175.22 174.16 2occ s GLN 10 N -4.26 2.80 0.51 0.44 -0.21 -1.26 -4.93 119.66 112.75 2occ s GLN 10 Ca 0.64 1.64 -0.23 0.00 0.02 0.00 0.00 55.36 57.44 2occ s GLN 10 Cb -0.18 -1.93 -0.06 0.00 1.00 0.00 0.00 33.01 31.84 2occ s GLN 10 CO 0.43 -1.30 1.33 -0.25 -2.12 0.00 0.00 175.29 173.38 2occ n ASP 11 N -2.04 2.63 -4.68 5.90 9.92 -1.26 -4.81 116.55 122.20 2occ n ASP 11 Ca 0.12 1.01 -0.42 0.00 -0.53 0.00 0.00 54.79 54.97 2occ n ASP 11 Cb 0.51 -1.56 -0.03 0.00 -0.64 0.00 0.00 41.12 39.41 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 -1.27 3.52 -0.13 2.24 0.00 -1.26 -4.67 121.76 120.18 2occ s ALA 12 Ca 0.68 0.55 0.21 0.00 0.00 0.00 0.00 51.96 53.40 2occ s ALA 12 Cb -0.44 -3.53 -0.18 0.00 0.00 0.00 0.00 23.12 18.98 2occ s ALA 12 CO 0.52 -0.83 0.72 2.41 0.00 0.00 0.00 175.76 178.58 2occ n THR 13 N 4.77 0.47 -4.48 0.00 -1.04 0.23 -4.90 114.28 109.33 2occ n THR 13 Ca 0.11 -0.56 -0.23 0.00 -2.04 0.00 0.00 64.05 61.33 2occ n THR 13 Cb 0.46 -0.25 -0.11 0.00 -1.82 0.00 0.00 70.33 68.62 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 -5.06 3.08 0.25 8.00 1.04 -1.24 -1.38 113.70 118.39 2occ s SER 14 Ca -0.05 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.11 2occ s SER 14 Cb 0.11 -0.23 0.30 0.00 0.10 0.00 0.00 66.02 66.30 2occ s SER 14 CO 0.85 -0.36 1.78 -0.65 0.98 0.00 0.00 173.24 175.84 2occ h PRO 15 N 2.13 0.92 -0.13 4.02 0.11 -1.92 -2.71 132.00 134.42 2occ h PRO 15 Ca -0.41 -0.21 -0.15 0.00 0.11 0.00 0.00 66.00 65.34 2occ h PRO 15 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2occ h PRO 15 CO 0.70 0.84 -0.56 -0.84 -0.21 0.00 0.00 178.00 177.93 2occ h ILE 16 N 0.88 1.35 -0.38 4.15 3.07 -1.92 -2.06 117.51 122.60 2occ h ILE 16 Ca 0.19 -1.85 -0.06 0.00 1.55 0.00 0.00 64.86 64.68 2occ h ILE 16 Cb 0.34 1.86 -0.02 0.00 -0.27 0.00 0.00 36.82 38.73 2occ h ILE 16 CO 0.00 0.56 -0.03 -0.03 -1.05 0.00 0.00 178.15 177.60 2occ h MET 17 N 0.31 0.62 -0.24 0.16 4.05 -1.73 0.10 114.93 118.20 2occ h MET 17 Ca 0.00 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 2occ h MET 17 Cb 1.08 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2occ h MET 17 CO 0.10 0.67 0.11 0.93 0.23 0.00 0.00 176.91 178.94 2occ h GLU 18 N 0.58 0.35 -0.55 0.39 5.08 -1.28 -0.66 114.58 118.49 2occ h GLU 18 Ca 0.12 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2occ h GLU 18 Cb 0.42 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2occ h GLU 18 CO 0.02 0.36 0.23 0.93 -1.00 0.00 0.00 179.01 179.55 2occ h GLU 19 N 0.25 0.42 -0.77 2.33 4.39 -0.80 -1.91 114.58 118.49 2occ h GLU 19 Ca 0.08 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 2occ h GLU 19 Cb 0.13 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2occ h GLU 19 CO -0.01 0.28 0.37 -0.07 -1.16 0.00 0.00 179.01 178.42 2occ h LEU 20 N 0.44 1.00 -0.47 1.33 3.38 -0.62 -0.83 115.31 119.53 2occ h LEU 20 Ca 0.26 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2occ h LEU 20 Cb 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2occ h LEU 20 CO -0.24 0.84 0.29 -0.07 0.09 0.00 0.00 178.44 179.35 2occ h LEU 21 N 1.09 0.48 -0.45 1.67 3.38 -0.35 0.13 115.31 121.27 2occ h LEU 21 Ca 0.27 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2occ h LEU 21 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2occ h LEU 21 CO -0.03 0.35 -0.26 0.45 0.09 0.00 0.00 178.44 179.03 2occ h HIS 22 N 0.59 1.14 -0.48 1.13 3.86 -1.17 -1.76 115.15 118.46 2occ h HIS 22 Ca 0.18 -0.29 -0.05 0.00 -1.16 0.00 0.00 60.37 59.05 2occ h HIS 22 Cb -0.01 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 2occ h HIS 22 CO -0.06 1.12 0.10 0.35 0.86 0.00 0.00 177.93 180.30 2occ h PHE 23 N 0.82 0.76 -0.01 2.45 3.57 -0.70 -1.85 116.94 121.99 2occ h PHE 23 Ca 0.10 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2occ h PHE 23 Cb 0.85 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2occ h PHE 23 CO 0.06 0.65 -0.56 1.25 -2.23 0.00 0.00 178.31 177.48 2occ h HIS 24 N 0.71 0.03 -0.41 0.41 2.76 -0.48 -1.40 115.15 116.78 2occ h HIS 24 Ca 0.16 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 2occ h HIS 24 Cb 0.29 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2occ h HIS 24 CO 0.01 0.57 -0.11 -0.44 -1.30 0.00 0.00 177.93 176.67 2occ h ASP 25 N 0.02 0.81 0.12 3.26 3.32 -0.77 0.21 116.42 123.38 2occ h ASP 25 Ca -0.00 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.69 2occ h ASP 25 Cb 0.99 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 2occ h ASP 25 CO 0.07 0.99 -0.22 -0.74 -1.72 0.00 0.00 179.24 177.63 2occ h HIS 26 N 0.61 -0.58 -0.45 4.55 2.76 -1.12 -0.12 115.15 120.82 2occ h HIS 26 Ca 0.10 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 2occ h HIS 26 Cb 0.64 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 2occ h HIS 26 CO 0.05 -0.31 0.14 1.15 -1.30 0.00 0.00 177.93 177.66 2occ h THR 27 N -0.41 1.22 -0.08 6.26 2.02 -1.19 -2.82 112.91 117.91 2occ h THR 27 Ca 0.03 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 2occ h THR 27 Cb 0.43 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2occ h THR 27 CO -0.12 0.26 -0.09 0.25 0.37 0.00 0.00 175.52 176.19 2occ h LEU 28 N 0.59 0.11 -0.23 2.58 5.85 -0.32 -1.38 115.31 122.51 2occ h LEU 28 Ca 0.14 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2occ h LEU 28 Cb 0.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2occ h LEU 28 CO -0.01 0.23 0.09 -0.03 -0.34 0.00 0.00 178.44 178.38 2occ h MET 29 N 0.12 0.35 -0.57 1.25 4.05 -0.77 -1.82 114.93 117.54 2occ h MET 29 Ca 0.03 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 2occ h MET 29 Cb 0.25 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2occ h MET 29 CO 0.01 0.40 0.09 0.82 0.23 0.00 0.00 176.91 178.46 2occ h ILE 30 N 0.22 1.24 0.00 1.77 2.04 -1.11 -1.19 117.51 120.48 2occ h ILE 30 Ca 0.08 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 2occ h ILE 30 Cb 0.19 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2occ h ILE 30 CO -0.01 0.35 -0.20 -0.37 0.00 0.00 0.00 178.15 177.92 2occ h VAL 31 N 0.86 0.47 0.00 1.67 -1.51 -1.16 -0.81 116.25 115.77 2occ h VAL 31 Ca 0.18 -1.08 -0.23 0.00 -1.23 0.00 0.00 66.70 64.33 2occ h VAL 31 Cb 0.38 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2occ h VAL 31 CO 0.01 0.19 -0.96 -0.26 -1.23 0.00 0.00 177.57 175.32 2occ h PHE 32 N 0.00 0.65 0.57 5.19 0.04 -0.68 -1.28 116.94 121.44 2occ h PHE 32 Ca -0.00 -0.36 -0.03 0.00 2.80 0.00 0.00 57.97 60.38 2occ h PHE 32 Cb 0.75 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.84 2occ h PHE 32 CO 0.00 1.18 -0.28 1.25 -0.60 0.00 0.00 178.31 179.87 2occ h LEU 33 N 0.24 -0.65 -0.66 1.54 6.46 -0.74 -1.59 115.31 119.91 2occ h LEU 33 Ca -0.09 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.80 2occ h LEU 33 Cb 1.60 0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 41.62 2occ h LEU 33 CO 0.17 -0.44 0.27 0.40 -0.62 0.00 0.00 178.44 178.22 2occ h ILE 34 N -0.83 0.76 0.00 4.05 1.08 -1.24 0.14 117.51 121.46 2occ h ILE 34 Ca -0.08 -0.16 -0.10 0.00 -0.39 0.00 0.00 64.86 64.13 2occ h ILE 34 Cb 0.59 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 2occ h ILE 34 CO 0.13 0.08 -0.48 0.77 -0.69 0.00 0.00 178.15 177.96 2occ h SER 35 N 0.46 0.00 1.03 1.72 4.64 -1.25 -2.03 113.55 118.12 2occ h SER 35 Ca 0.34 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.46 2occ h SER 35 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 2occ h SER 35 CO -0.32 0.48 -0.98 0.77 -0.87 0.00 0.00 176.83 175.91 2occ h SER 36 N 0.00 0.00 -0.05 4.97 4.64 -0.42 -2.82 113.55 119.87 2occ h SER 36 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2occ h SER 36 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2occ h SER 36 CO 0.06 0.96 0.02 0.25 -0.87 0.00 0.00 176.83 177.25 2occ h LEU 37 N 0.00 0.07 -1.21 5.97 5.85 -0.72 -1.23 115.31 124.05 2occ h LEU 37 Ca -0.02 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2occ h LEU 37 Cb 1.75 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 2occ h LEU 37 CO 0.12 0.20 0.40 0.58 -0.34 0.00 0.00 178.44 179.40 2occ h VAL 38 N -0.06 1.20 -0.18 1.05 2.07 -1.41 -0.59 116.25 118.33 2occ h VAL 38 Ca 0.02 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 66.92 2occ h VAL 38 Cb 0.15 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2occ h VAL 38 CO -0.00 0.21 -0.54 0.25 0.02 0.00 0.00 177.57 177.51 2occ h LEU 39 N 0.96 0.57 0.22 2.57 5.85 -1.29 -1.27 115.31 122.91 2occ h LEU 39 Ca 0.25 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2occ h LEU 39 Cb -0.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2occ h LEU 39 CO -0.04 1.00 -0.10 0.22 -0.34 0.00 0.00 178.44 179.17 2occ h TYR 40 N 0.40 -0.27 -0.56 1.25 5.03 -0.73 -1.84 116.97 120.25 2occ h TYR 40 Ca 0.01 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.42 2occ h TYR 40 Cb 1.07 0.09 -0.08 0.00 1.55 0.00 0.00 36.73 39.36 2occ h TYR 40 CO 0.04 0.11 0.11 0.82 -1.32 0.00 0.00 178.16 177.92 2occ h ILE 41 N -0.74 0.66 -0.48 1.81 1.08 -1.13 0.31 117.51 119.02 2occ h ILE 41 Ca -0.03 -0.08 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2occ h ILE 41 Cb 0.50 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2occ h ILE 41 CO 0.05 0.04 0.25 0.40 -0.69 0.00 0.00 178.15 178.20 2occ h ILE 42 N 0.24 0.97 -0.03 -0.67 2.04 -1.22 0.88 117.51 119.73 2occ h ILE 42 Ca 0.29 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.88 2occ h ILE 42 Cb 0.42 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2occ h ILE 42 CO -0.38 0.09 -0.44 0.77 0.00 0.00 0.00 178.15 178.19 2occ h SER 43 N 0.49 0.06 -0.63 1.72 4.64 -0.30 -2.64 113.55 116.89 2occ h SER 43 Ca 0.21 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2occ h SER 43 Cb 0.10 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2occ h SER 43 CO -0.14 0.50 0.11 0.25 -0.87 0.00 0.00 176.83 176.68 2occ h LEU 44 N 0.05 1.01 -1.28 5.97 5.85 0.74 -2.94 115.31 124.71 2occ h LEU 44 Ca 0.00 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 2occ h LEU 44 Cb 0.80 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2occ h LEU 44 CO 0.06 1.01 -0.26 0.24 -0.34 0.00 0.00 178.44 179.14 2occ h MET 45 N 0.96 0.00 -0.72 1.25 2.86 -0.52 -3.21 114.93 115.55 2occ h MET 45 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2occ h MET 45 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2occ h MET 45 CO 0.01 0.26 0.00 1.28 1.06 0.00 0.00 176.91 179.53 2occ n LEU 46 N -3.58 3.92 -1.19 1.22 4.77 -1.07 -4.57 117.00 116.51 2occ n LEU 46 Ca -0.01 -1.99 -0.06 0.00 -0.03 0.00 0.00 56.01 53.92 2occ n LEU 46 Cb 0.40 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 41.15 2occ n LEU 46 CO 0.34 0.98 0.33 0.35 -1.33 0.00 0.00 177.39 178.06 2occ n THR 47 N 1.61 2.37 -3.88 -5.08 -2.24 -1.17 -5.04 114.28 100.85 2occ n THR 47 Ca 0.24 -3.57 -0.11 0.00 -2.27 0.00 0.00 64.05 58.33 2occ n THR 47 Cb 0.62 -0.59 -0.12 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.77 0.05 -0.89 4.28 -1.32 -1.26 -5.01 115.64 107.71 2occ s THR 48 Ca 0.44 -0.37 0.26 0.00 -1.21 0.00 0.00 61.69 60.80 2occ s THR 48 Cb 0.39 -0.22 0.10 0.00 -1.51 0.00 0.00 72.50 71.26 2occ s THR 48 CO -0.02 -0.21 1.55 0.29 -2.21 0.00 0.00 174.62 174.02 2occ n LYS 49 N 2.34 0.09 -2.01 7.08 4.76 -1.26 -4.86 118.16 124.30 2occ n LYS 49 Ca -0.17 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.89 2occ n LYS 49 Cb 0.58 -1.57 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 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 -3.42 4.39 0.24 -0.35 1.43 -1.26 -5.01 118.68 114.71 2occ s LEU 50 Ca 0.11 2.66 0.09 0.00 -1.03 0.00 0.00 54.13 55.96 2occ s LEU 50 Cb 0.16 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2occ s LEU 50 CO 0.66 -0.70 -0.14 0.42 0.23 0.00 0.00 176.35 176.82 2occ s THR 51 N -0.01 1.91 -0.48 5.49 -4.23 -1.26 -5.07 115.64 111.99 2occ s THR 51 Ca 0.59 -2.24 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 2occ s THR 51 Cb -0.42 -2.20 0.20 0.00 1.34 0.00 0.00 72.50 71.42 2occ s THR 51 CO 0.43 -0.48 0.82 1.57 -0.54 0.00 0.00 174.62 176.43 2occ n HIS 52 N -0.49 -3.14 1.24 3.99 -0.00 -1.26 -5.04 115.22 110.52 2occ n HIS 52 Ca -0.07 -1.24 0.13 0.00 -0.00 0.00 0.00 57.72 56.54 2occ n HIS 52 Cb 0.61 1.41 0.41 0.00 -0.00 0.00 0.00 29.99 32.42 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 2.74 0.00 -2.01 3.57 -2.24 -1.26 -4.92 114.28 110.16 2occ n THR 53 Ca 0.16 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.55 2occ n THR 53 Cb 0.59 0.27 0.13 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.56 3.91 0.44 3.42 1.04 -1.26 -5.00 113.70 113.69 2occ s SER 54 Ca 0.23 0.42 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 2occ s SER 54 Cb 0.19 -0.72 -0.09 0.00 0.10 0.00 0.00 66.02 65.50 2occ s SER 54 CO 0.53 -2.24 1.45 0.35 0.98 0.00 0.00 173.24 174.32 2occ n THR 55 N -3.43 2.65 -4.40 2.02 -2.24 -1.26 -5.05 114.28 102.57 2occ n THR 55 Ca 0.12 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 2occ n THR 55 Cb 0.60 -1.88 -0.11 0.00 -2.10 0.00 0.00 70.33 66.85 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 -2.39 1.71 0.02 -0.78 1.00 -1.26 -5.11 119.30 112.49 2occ s MET 56 Ca 0.60 -1.52 -0.30 0.00 0.00 0.00 0.00 55.69 54.46 2occ s MET 56 Cb -0.45 -1.91 -0.04 0.00 0.00 0.00 0.00 34.83 32.43 2occ s MET 56 CO 0.59 0.39 1.01 0.34 0.00 0.00 0.00 175.02 177.34 2occ s ASP 57 N -2.95 7.34 -0.05 3.03 -1.08 -1.26 -5.00 116.67 116.70 2occ s ASP 57 Ca 0.24 1.72 -0.13 0.00 -0.52 0.00 0.00 52.55 53.86 2occ s ASP 57 Cb -0.07 -2.57 -0.08 0.00 -1.46 0.00 0.00 42.92 38.73 2occ s ASP 57 CO 0.13 -0.27 0.54 0.00 0.52 0.00 0.00 175.17 176.09 2occ h ALA 58 N 6.66 -0.38 -0.40 3.66 0.00 -2.05 -3.42 119.26 123.34 2occ h ALA 58 Ca -0.41 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.46 2occ h ALA 58 Cb 1.22 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 2occ h ALA 58 CO 0.75 -0.37 -0.32 1.96 0.00 0.00 0.00 179.25 181.28 2occ h GLN 59 N -1.08 -0.24 -0.47 0.00 1.08 -2.00 -3.33 115.11 109.07 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 0.36 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 2occ h GLN 59 CO 0.06 -0.16 -0.28 -0.85 -0.95 0.00 0.00 178.83 176.66 2occ n GLU 60 N -5.42 -0.21 0.11 1.46 -0.00 -1.26 -1.47 120.64 113.86 2occ n GLU 60 Ca 0.01 0.90 0.13 0.00 -0.00 0.00 0.00 57.16 58.20 2occ n GLU 60 Cb 0.33 -1.33 0.33 0.00 -0.00 0.00 0.00 31.44 30.77 2occ n GLU 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2occ h VAL 61 N 0.00 0.00 0.00 3.84 -1.51 -1.87 -3.33 116.25 113.38 2occ h VAL 61 Ca 0.08 -0.55 -0.02 0.00 -1.23 0.00 0.00 66.70 64.98 2occ h VAL 61 Cb 0.19 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2occ h VAL 61 CO -0.44 0.00 -0.08 -0.33 -1.23 0.00 0.00 177.57 175.48 2occ h GLU 62 N 0.00 0.00 -0.42 5.19 5.08 -1.36 -1.71 114.58 121.36 2occ h GLU 62 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2occ h GLU 62 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2occ h GLU 62 CO 0.00 0.08 -0.26 1.79 -1.00 0.00 0.00 179.01 179.62 2occ h THR 63 N 0.00 1.27 -0.14 1.13 1.35 -1.66 -2.49 112.91 112.37 2occ h THR 63 Ca -0.00 -1.43 -0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2occ h THR 63 Cb 0.17 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2occ h THR 63 CO 0.01 0.48 0.07 0.40 -0.25 0.00 0.00 175.52 176.24 2occ h ILE 64 N 0.75 1.10 0.00 6.82 2.04 -1.56 0.41 117.51 127.07 2occ h ILE 64 Ca 0.09 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2occ h ILE 64 Cb 0.84 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2occ h ILE 64 CO 0.07 0.09 0.00 -2.67 0.00 0.00 0.00 178.15 175.64 2occ n TRP 65 N -4.94 0.00 0.00 1.37 2.14 -0.73 -1.52 117.44 113.75 2occ n TRP 65 Ca -0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.52 2occ n TRP 65 Cb 0.07 -0.08 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 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 -0.09 0.00 0.01 -1.67 -1.04 -0.95 -4.67 114.28 105.87 2occ n THR 66 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2occ n THR 66 Cb 0.19 -1.13 0.15 0.00 -1.82 0.00 0.00 70.33 67.72 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 0.31 12.58 1.08 -0.86 -2.89 117.51 129.01 2occ h ILE 67 Ca 0.00 -1.47 -0.02 0.00 -0.39 0.00 0.00 64.86 62.99 2occ h ILE 67 Cb 0.83 1.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2occ h ILE 67 CO 0.00 0.46 -0.15 0.25 -0.69 0.00 0.00 178.15 178.02 2occ h LEU 68 N 0.42 -0.35 -1.78 1.44 5.85 -1.48 -2.43 115.31 116.97 2occ h LEU 68 Ca 0.05 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.74 2occ h LEU 68 Cb 0.82 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2occ h LEU 68 CO 0.07 -0.02 0.41 -0.65 -0.34 0.00 0.00 178.44 177.91 2occ h PRO 69 N -0.70 0.22 -0.59 5.25 0.11 -1.79 -1.10 132.00 133.39 2occ h PRO 69 Ca -0.04 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2occ h PRO 69 Cb 0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2occ h PRO 69 CO 0.07 0.15 0.03 0.00 -0.21 0.00 0.00 178.00 178.04 2occ h ALA 70 N 1.71 0.94 -0.29 -0.75 0.00 -1.27 -1.26 119.26 118.34 2occ h ALA 70 Ca 0.29 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2occ h ALA 70 Cb 0.81 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2occ h ALA 70 CO -0.06 0.64 -0.28 0.82 0.00 0.00 0.00 179.25 180.37 2occ h ILE 71 N 0.93 1.30 -0.35 0.00 2.04 -0.75 -2.90 117.51 117.78 2occ h ILE 71 Ca 0.17 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 2occ h ILE 71 Cb 0.49 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2occ h ILE 71 CO 0.02 0.46 0.09 0.40 0.00 0.00 0.00 178.15 179.13 2occ h ILE 72 N 0.44 1.16 -0.25 -0.67 2.04 -1.09 -2.02 117.51 117.12 2occ h ILE 72 Ca 0.05 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.22 2occ h ILE 72 Cb 0.85 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2occ h ILE 72 CO 0.07 0.20 -0.39 -0.07 0.00 0.00 0.00 178.15 177.96 2occ h LEU 73 N 0.49 0.62 -1.30 1.44 3.38 -1.21 -2.64 115.31 116.10 2occ h LEU 73 Ca 0.12 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2occ h LEU 73 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2occ h LEU 73 CO -0.01 0.95 -0.29 0.40 0.09 0.00 0.00 178.44 179.59 2occ h ILE 74 N 0.49 1.23 0.00 1.22 2.04 -1.18 -0.04 117.51 121.28 2occ h ILE 74 Ca 0.04 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.74 2occ h ILE 74 Cb 0.90 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2occ h ILE 74 CO 0.08 0.32 -0.34 -0.07 0.00 0.00 0.00 178.15 178.13 2occ h LEU 75 N 0.09 0.00 0.11 1.44 3.38 -1.10 -2.41 115.31 116.82 2occ h LEU 75 Ca 0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.67 2occ h LEU 75 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2occ h LEU 75 CO 0.04 0.34 -1.65 0.40 0.09 0.00 0.00 178.44 177.66 2occ h ILE 76 N 0.00 0.85 -0.48 1.22 2.04 -1.12 -3.41 117.51 116.61 2occ h ILE 76 Ca -0.00 -2.36 -0.02 0.00 1.00 0.00 0.00 64.86 63.48 2occ h ILE 76 Cb 0.82 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 2occ h ILE 76 CO 0.04 0.74 0.22 0.00 0.00 0.00 0.00 178.15 179.15 2occ h ALA 77 N -0.05 0.62 0.07 1.87 0.00 -0.97 -2.70 119.26 118.09 2occ h ALA 77 Ca -0.36 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2occ h ALA 77 Cb 1.84 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2occ h ALA 77 CO 0.04 0.19 -0.32 -0.07 0.00 0.00 0.00 179.25 179.09 2occ h LEU 78 N 0.63 -0.94 -0.30 0.00 3.38 -1.66 0.12 115.31 116.53 2occ h LEU 78 Ca 0.16 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2occ h LEU 78 Cb 0.13 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2occ h LEU 78 CO -0.02 -0.40 0.19 -0.65 0.09 0.00 0.00 178.44 177.66 2occ h PRO 79 N -0.51 0.40 -0.49 1.13 0.11 -1.79 -1.24 132.00 129.61 2occ h PRO 79 Ca 0.04 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.20 2occ h PRO 79 Cb 0.57 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.53 2occ h PRO 79 CO -0.22 0.28 0.13 1.03 -0.21 0.00 0.00 178.00 179.01 2occ h SER 80 N 0.40 0.08 0.07 -2.05 0.87 -1.20 -0.93 113.55 110.80 2occ h SER 80 Ca 0.11 0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.59 2occ h SER 80 Cb -0.03 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2occ h SER 80 CO -0.02 0.07 -0.53 -0.07 -0.53 0.00 0.00 176.83 175.74 2occ h LEU 81 N 0.28 0.56 0.00 2.23 3.38 -0.54 -0.87 115.31 120.35 2occ h LEU 81 Ca 0.24 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2occ h LEU 81 Cb 0.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2occ h LEU 81 CO -0.29 0.98 -0.00 -0.09 0.09 0.00 0.00 178.44 179.13 2occ h ARG 82 N 0.39 -0.00 -0.82 1.13 2.43 -0.60 -0.85 114.38 116.06 2occ h ARG 82 Ca 0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2occ h ARG 82 Cb 1.06 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.58 2occ h ARG 82 CO 0.10 0.03 0.37 0.82 -1.51 0.00 0.00 179.97 179.78 2occ h ILE 83 N -0.04 1.26 -0.46 1.20 2.04 -1.11 -0.38 117.51 120.02 2occ h ILE 83 Ca -0.00 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.14 2occ h ILE 83 Cb 0.03 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 2occ h ILE 83 CO 0.00 0.32 0.24 0.25 0.00 0.00 0.00 178.15 178.95 2occ h LEU 84 N 1.17 0.35 -1.01 1.44 5.85 -0.78 -1.84 115.31 120.49 2occ h LEU 84 Ca 0.28 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 2occ h LEU 84 Cb 0.15 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2occ h LEU 84 CO -0.03 0.25 -0.42 1.88 -0.34 0.00 0.00 178.44 179.78 2occ h TYR 85 N 0.47 0.00 0.00 1.25 -1.99 -0.76 -2.78 116.97 113.16 2occ h TYR 85 Ca 0.20 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.85 2occ h TYR 85 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 2occ h TYR 85 CO -0.10 0.42 -0.38 1.98 -0.00 0.00 0.00 178.16 180.08 2occ h MET 86 N 0.00 0.00 -0.07 4.88 4.05 -0.30 -3.16 114.93 120.33 2occ h MET 86 Ca -0.00 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.24 2occ h MET 86 Cb 0.87 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2occ h MET 86 CO 0.05 0.38 -0.71 0.52 0.23 0.00 0.00 176.91 177.39 2occ h MET 87 N 0.00 0.36 -0.88 0.39 2.86 -1.08 -3.12 114.93 113.46 2occ h MET 87 Ca -0.00 -0.28 -0.58 0.00 -2.06 0.00 0.00 59.70 56.77 2occ h MET 87 Cb 0.73 0.06 -0.31 0.00 0.06 0.00 0.00 31.60 32.14 2occ h MET 87 CO 0.05 0.92 0.36 -0.25 1.06 0.00 0.00 176.91 179.06 2occ n ASP 88 N -3.83 6.09 -4.83 1.22 8.00 -1.21 -4.79 116.55 117.20 2occ n ASP 88 Ca -0.04 -3.76 -0.32 0.00 0.71 0.00 0.00 54.79 51.38 2occ n ASP 88 Cb 0.69 -0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 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 -3.66 3.72 -0.79 -1.24 2.12 -1.18 -4.94 118.70 112.73 2occ s GLU 89 Ca 0.59 1.03 -0.25 0.00 0.36 0.00 0.00 54.97 56.69 2occ s GLU 89 Cb 0.47 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.73 2occ s GLU 89 CO 0.02 -0.47 1.90 0.42 -0.54 0.00 0.00 175.26 176.59 2occ s ILE 90 N -2.60 3.42 -0.02 -3.70 -1.09 -1.26 -4.94 121.20 111.02 2occ s ILE 90 Ca 0.60 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 2occ s ILE 90 Cb -0.12 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2occ s ILE 90 CO 0.34 -0.96 0.10 0.54 -1.23 0.00 0.00 174.94 173.73 2occ s ASN 91 N 7.96 5.83 -0.47 3.58 6.03 -1.26 -5.09 114.94 131.52 2occ s ASN 91 Ca 0.68 0.21 -0.06 0.00 -1.03 0.00 0.00 52.86 52.65 2occ s ASN 91 Cb -0.09 -1.72 0.12 0.00 -3.03 0.00 0.00 41.25 36.53 2occ s ASN 91 CO 0.07 0.29 0.31 0.20 -2.03 0.00 0.00 177.10 175.94 2occ s ASN 92 N -1.67 5.53 0.38 3.54 -0.87 -1.26 -5.09 114.94 115.49 2occ s ASN 92 Ca 0.22 -2.05 -0.25 0.00 -1.57 0.00 0.00 52.86 49.21 2occ s ASN 92 Cb -0.12 -1.94 -0.09 0.00 -0.02 0.00 0.00 41.25 39.08 2occ s ASN 92 CO 0.13 -0.61 1.04 -2.16 -2.57 0.00 0.00 177.10 172.94 2occ s PRO 93 N 1.14 4.26 0.00 -0.60 0.04 -1.26 -4.86 135.00 133.72 2occ s PRO 93 Ca 0.08 1.52 0.17 0.00 0.04 0.00 0.00 61.00 62.81 2occ s PRO 93 Cb -0.24 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.57 2occ s PRO 93 CO -0.02 -0.06 0.82 -1.13 0.04 0.00 0.00 177.00 176.65 2occ n SER 94 N 0.13 1.30 -3.70 6.66 3.41 -0.98 -4.97 113.62 115.48 2occ n SER 94 Ca 0.04 -1.15 -0.14 0.00 -0.26 0.00 0.00 58.87 57.36 2occ n SER 94 Cb 0.49 0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.46 0.18 -0.10 1.04 2.96 -1.25 -5.08 118.68 113.97 2occ s LEU 95 Ca 0.11 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.83 2occ s LEU 95 Cb 0.14 1.69 0.01 0.00 0.50 0.00 0.00 46.19 48.53 2occ s LEU 95 CO 0.56 -0.27 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.27 2occ s THR 96 N -0.18 1.62 0.05 3.68 2.01 -1.26 -0.91 115.64 120.65 2occ s THR 96 Ca -0.04 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 61.30 2occ s THR 96 Cb -0.03 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2occ s THR 96 CO 0.02 0.46 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 2occ s VAL 97 N 0.80 1.55 0.24 3.82 1.01 -0.23 -4.36 120.40 123.22 2occ s VAL 97 Ca -0.10 -1.20 0.10 0.00 0.00 0.00 0.00 61.98 60.78 2occ s VAL 97 Cb -0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2occ s VAL 97 CO 0.01 0.12 -0.09 -0.54 0.00 0.00 0.00 175.10 174.61 2occ s LYS 98 N -1.27 2.05 -0.04 2.72 1.02 -0.50 -1.15 119.74 122.57 2occ s LYS 98 Ca 0.06 -1.45 -0.03 0.00 0.02 0.00 0.00 55.97 54.57 2occ s LYS 98 Cb -0.09 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.18 2occ s LYS 98 CO 0.02 0.38 0.11 -0.08 -0.92 0.00 0.00 175.35 174.86 2occ s THR 99 N -2.14 -0.01 -0.15 2.17 -1.32 0.03 -1.19 115.64 113.03 2occ s THR 99 Ca 0.29 0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.84 2occ s THR 99 Cb -0.07 -0.17 0.02 0.00 -1.51 0.00 0.00 72.50 70.77 2occ s THR 99 CO 0.17 0.02 -0.19 -0.04 -2.21 0.00 0.00 174.62 172.37 2occ s MET 100 N 0.37 2.77 0.47 7.08 -1.94 0.59 -2.22 119.30 126.42 2occ s MET 100 Ca -0.03 -0.75 -0.20 0.00 -1.71 0.00 0.00 55.69 53.00 2occ s MET 100 Cb -0.04 -2.33 -0.09 0.00 2.01 0.00 0.00 34.83 34.38 2occ s MET 100 CO -0.01 -0.11 1.00 0.20 -0.01 0.00 0.00 175.02 176.08 2occ s GLY 101 N 1.07 2.40 0.17 -0.03 0.00 0.07 -1.74 107.32 109.26 2occ s GLY 101 Ca -0.02 0.47 -0.07 0.00 0.00 0.00 0.00 44.72 45.10 2occ s GLY 101 CO -0.06 0.77 0.25 0.30 0.00 0.00 0.00 173.10 174.36 2occ s HIS 102 N -2.14 0.53 -0.98 1.90 3.76 -0.45 -2.00 115.29 115.91 2occ s HIS 102 Ca 0.64 -0.89 -0.24 0.00 -0.15 0.00 0.00 55.06 54.43 2occ s HIS 102 Cb -0.13 -0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 2occ s HIS 102 CO 0.19 -0.70 1.86 -0.65 -0.85 0.00 0.00 174.74 174.59 2occ s GLN 103 N -4.00 2.75 0.00 1.40 -0.21 -1.26 -2.23 119.66 116.11 2occ s GLN 103 Ca 0.20 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.96 2occ s GLN 103 Cb 0.04 -5.15 0.00 0.00 1.00 0.00 0.00 33.01 28.90 2occ s GLN 103 CO 0.02 -3.26 0.00 0.91 -2.12 0.00 0.00 175.29 170.83 2occ n TRP 104 N 13.08 0.00 0.00 0.91 8.01 -1.26 -5.08 117.44 133.11 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 0.47 -0.45 0.00 0.00 -2.01 0.00 0.00 31.31 29.32 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 -1.33 0.00 -4.31 -5.99 4.11 -0.95 -4.75 117.16 103.94 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 0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.47 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 2.86 -0.02 -3.48 0.52 -1.16 -1.33 118.94 114.32 2occ s TRP 106 Ca 0.00 -0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.10 2occ s TRP 106 Cb 0.00 -1.53 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 2occ s TRP 106 CO 0.00 0.41 -0.18 -1.54 0.02 0.00 0.00 176.95 175.66 2occ s SER 107 N -1.87 2.17 0.16 2.95 1.04 -0.71 -0.18 113.70 117.27 2occ s SER 107 Ca 0.20 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.38 2occ s SER 107 Cb -0.11 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2occ s SER 107 CO 0.12 0.22 -0.08 -0.31 0.98 0.00 0.00 173.24 174.17 2occ s TYR 108 N -0.37 2.70 -0.10 5.02 1.51 -0.31 -0.30 117.35 125.50 2occ s TYR 108 Ca 0.06 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 2occ s TYR 108 Cb -0.08 -1.33 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2occ s TYR 108 CO -0.00 0.50 0.10 -1.21 -1.11 0.00 0.00 175.55 173.83 2occ s GLU 109 N -2.74 0.00 -0.33 -0.62 2.02 -0.34 -2.31 118.70 114.39 2occ s GLU 109 Ca 0.25 0.28 -0.08 0.00 0.02 0.00 0.00 54.97 55.44 2occ s GLU 109 Cb -0.09 -0.87 0.03 0.00 0.10 0.00 0.00 34.13 33.30 2occ s GLU 109 CO 0.16 -0.44 0.12 0.71 0.02 0.00 0.00 175.26 175.82 2occ s TYR 110 N 2.20 3.22 -0.07 1.61 1.51 -0.23 -1.42 117.35 124.17 2occ s TYR 110 Ca 0.04 -1.18 0.11 0.00 -1.01 0.00 0.00 57.07 55.03 2occ s TYR 110 Cb -0.13 -2.30 0.17 0.00 -0.11 0.00 0.00 41.96 39.58 2occ s TYR 110 CO -0.06 -0.66 1.07 2.41 -1.11 0.00 0.00 175.55 177.20 2occ n THR 111 N 4.87 1.17 -0.12 -0.71 -1.04 -1.26 -2.23 114.28 114.96 2occ n THR 111 Ca -0.13 -1.39 -0.10 0.00 -2.04 0.00 0.00 64.05 60.39 2occ n THR 111 Cb 0.46 0.09 -0.02 0.00 -1.82 0.00 0.00 70.33 69.05 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 0.53 0.00 8.00 3.32 -1.93 -3.41 116.42 122.93 2occ h ASP 112 Ca 0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 2occ h ASP 112 Cb 1.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2occ h ASP 112 CO 0.00 0.61 -0.64 -1.22 -1.72 0.00 0.00 179.24 176.26 2occ n TYR 113 N -4.63 0.00 -1.23 4.55 4.02 -1.26 -5.09 117.16 113.52 2occ n TYR 113 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2occ n TYR 113 Cb 0.18 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 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 -3.76 3.26 -2.84 -0.72 -0.58 -1.26 -5.06 120.64 109.67 2occ n GLU 114 Ca -0.09 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.49 2occ n GLU 114 Cb 0.29 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.16 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 1.96 -4.67 1.62 9.92 -1.26 -4.42 116.55 119.70 2occ n ASP 115 Ca 0.00 -3.04 -0.43 0.00 -0.53 0.00 0.00 54.79 50.79 2occ n ASP 115 Cb 0.00 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 39.90 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 -2.98 4.21 -0.06 0.64 2.96 -0.95 -4.98 118.68 117.53 2occ s LEU 116 Ca 0.36 1.65 -0.05 0.00 -0.22 0.00 0.00 54.13 55.88 2occ s LEU 116 Cb 0.40 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.56 2occ s LEU 116 CO -0.05 -0.63 0.15 -0.55 -1.32 0.00 0.00 176.35 173.95 2occ s SER 117 N 1.51 -0.15 0.07 3.68 0.15 -1.26 -1.07 113.70 116.63 2occ s SER 117 Ca 0.52 0.31 -0.16 0.00 0.70 0.00 0.00 55.95 57.32 2occ s SER 117 Cb -0.21 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 2occ s SER 117 CO 0.16 -0.08 0.37 0.72 1.20 0.00 0.00 173.24 175.61 2occ s PHE 118 N 0.38 -0.18 0.21 3.44 -0.71 -0.98 -5.01 117.98 115.13 2occ s PHE 118 Ca -0.02 0.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.83 2occ s PHE 118 Cb -0.04 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 2occ s PHE 118 CO -0.02 -0.59 0.46 -0.51 -1.34 0.00 0.00 175.22 173.22 2occ s ASP 119 N -2.32 6.47 -0.27 1.98 1.01 -1.26 -1.17 116.67 121.11 2occ s ASP 119 Ca -0.02 0.63 -0.01 0.00 0.71 0.00 0.00 52.55 53.86 2occ s ASP 119 Cb 0.00 -2.11 0.09 0.00 1.01 0.00 0.00 42.92 41.91 2occ s ASP 119 CO -0.06 -0.06 0.07 -0.55 0.21 0.00 0.00 175.17 174.77 2occ s SER 120 N -2.81 3.71 0.22 0.27 0.15 0.75 -4.61 113.70 111.37 2occ s SER 120 Ca 0.42 -1.37 0.06 0.00 0.70 0.00 0.00 55.95 55.76 2occ s SER 120 Cb -0.11 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.35 2occ s SER 120 CO 0.27 -0.37 0.23 -0.31 1.20 0.00 0.00 173.24 174.25 2occ s TYR 121 N 1.67 3.23 0.18 3.44 1.51 -1.26 -3.01 117.35 123.11 2occ s TYR 121 Ca 0.06 -0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.77 2occ s TYR 121 Cb -0.17 -1.49 -0.08 0.00 -0.11 0.00 0.00 41.96 40.11 2occ s TYR 121 CO -0.19 0.50 1.20 1.41 -1.11 0.00 0.00 175.55 177.36 2occ s MET 122 N -3.65 4.49 -0.24 -0.62 -2.45 -1.26 -0.10 119.30 115.47 2occ s MET 122 Ca 0.33 1.87 -0.29 0.00 -1.25 0.00 0.00 55.69 56.35 2occ s MET 122 Cb -0.09 -3.24 -0.00 0.00 1.25 0.00 0.00 34.83 32.75 2occ s MET 122 CO 0.26 -0.10 1.19 0.42 1.05 0.00 0.00 175.02 177.84 2occ s ILE 123 N -0.00 4.37 0.46 10.11 1.01 0.22 -4.77 121.20 132.61 2occ s ILE 123 Ca 0.53 1.63 -0.23 0.00 0.00 0.00 0.00 60.65 62.58 2occ s ILE 123 Cb -0.33 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 37.88 2occ s ILE 123 CO 0.36 -0.28 0.95 -2.65 0.00 0.00 0.00 174.94 173.33 2occ n PRO 124 N 6.75 1.19 0.28 2.79 -0.02 -1.26 -4.75 135.00 139.98 2occ n PRO 124 Ca 0.13 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2occ n PRO 124 Cb 0.46 -2.03 0.83 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 1.24 0.65 -0.00 3.45 1.03 -1.94 -1.47 112.91 115.87 2occ h THR 125 Ca -0.45 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 2occ h THR 125 Cb 1.35 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.47 2occ h THR 125 CO 0.55 0.02 -0.01 -1.54 -0.01 0.00 0.00 175.52 174.53 2occ n SER 126 N -3.99 0.01 -0.87 0.00 3.41 -1.26 -3.25 113.62 107.66 2occ n SER 126 Ca -0.03 0.47 0.07 0.00 -0.26 0.00 0.00 58.87 59.12 2occ n SER 126 Cb 0.10 -0.48 0.22 0.00 -0.26 0.00 0.00 64.21 63.80 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 3.02 -2.66 4.33 1.02 -0.56 -5.00 120.64 119.29 2occ n GLU 127 Ca 0.07 -2.45 -0.40 0.00 -0.02 0.00 0.00 57.16 54.35 2occ n GLU 127 Cb 0.34 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.75 4.58 0.15 -4.62 1.43 -1.19 -4.91 118.68 112.37 2occ s LEU 128 Ca 0.34 2.00 -0.22 0.00 -1.03 0.00 0.00 54.13 55.22 2occ s LEU 128 Cb 0.23 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.76 2occ s LEU 128 CO 0.15 0.01 0.69 -0.54 0.23 0.00 0.00 176.35 176.89 2occ s LYS 129 N -0.90 4.36 0.02 1.70 1.02 -1.26 -4.95 119.74 119.74 2occ s LYS 129 Ca 0.44 0.94 -0.37 0.00 0.02 0.00 0.00 55.97 56.99 2occ s LYS 129 Cb -0.27 -3.15 -0.19 0.00 -0.52 0.00 0.00 37.83 33.70 2occ s LYS 129 CO 0.34 0.55 0.98 -2.30 -0.92 0.00 0.00 175.35 173.99 2occ n PRO 130 N 1.39 0.00 -0.25 -1.68 -0.02 -1.26 -0.96 135.00 132.22 2occ n PRO 130 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2occ n PRO 130 Cb 0.50 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 1.51 0.86 3.84 -1.23 0.00 -1.26 -5.06 105.19 103.85 2occ n GLY 131 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.61 4.04 -0.30 1.61 2.02 -0.13 -5.04 118.70 120.29 2occ s GLU 132 Ca 0.00 0.57 -0.29 0.00 0.02 0.00 0.00 54.97 55.27 2occ s GLU 132 Cb 0.00 -2.93 0.01 0.00 0.10 0.00 0.00 34.13 31.31 2occ s GLU 132 CO 0.00 0.47 1.16 -0.51 0.02 0.00 0.00 175.26 176.39 2occ s LEU 133 N -1.94 3.94 0.00 1.80 1.43 -1.26 -4.91 118.68 117.75 2occ s LEU 133 Ca 0.38 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 2occ s LEU 133 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2occ s LEU 133 CO 0.19 -0.93 0.08 -1.14 0.23 0.00 0.00 176.35 174.79 2occ n ARG 134 N 6.97 0.00 -0.32 1.70 0.63 -1.26 -1.69 116.66 122.69 2occ n ARG 134 Ca 0.13 0.08 0.05 0.00 -0.92 0.00 0.00 57.85 57.19 2occ n ARG 134 Cb 0.47 -0.25 0.20 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 -0.31 2.75 -0.01 6.15 4.77 -1.26 -4.33 117.00 124.76 2occ n LEU 135 Ca 0.00 -1.39 0.06 0.00 -0.03 0.00 0.00 56.01 54.66 2occ n LEU 135 Cb 0.00 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 2occ n LEU 135 CO 0.00 0.50 -0.63 0.18 -1.33 0.00 0.00 177.39 176.12 2occ n LEU 136 N 0.54 0.02 -4.74 2.23 4.77 -0.68 -4.65 117.00 114.49 2occ n LEU 136 Ca 0.14 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.69 2occ n LEU 136 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2occ n LEU 136 CO 0.13 0.01 0.70 -1.61 -1.33 0.00 0.00 177.39 175.29 2occ s GLU 137 N -2.86 4.71 0.08 3.23 0.41 -0.98 -4.70 118.70 118.59 2occ s GLU 137 Ca -0.04 1.56 0.08 0.00 -0.41 0.00 0.00 54.97 56.16 2occ s GLU 137 Cb 0.08 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 29.09 2occ s GLU 137 CO 0.53 0.26 -0.19 0.54 -0.49 0.00 0.00 175.26 175.91 2occ s VAL 138 N -0.47 2.74 0.07 2.63 0.11 -1.26 0.73 120.40 124.94 2occ s VAL 138 Ca 0.46 -1.36 -0.20 0.00 -2.93 0.00 0.00 61.98 57.95 2occ s VAL 138 Cb -0.26 -2.19 -0.11 0.00 -1.53 0.00 0.00 36.38 32.29 2occ s VAL 138 CO 0.33 0.23 1.47 -2.24 -3.33 0.00 0.00 175.10 171.56 2occ h ASP 139 N 4.20 0.36 -3.63 3.54 3.04 -0.81 -3.41 116.42 119.71 2occ h ASP 139 Ca -0.49 -0.34 -0.69 0.00 -3.24 0.00 0.00 57.03 52.27 2occ h ASP 139 Cb 1.16 -0.10 -0.34 0.00 -1.04 0.00 0.00 39.33 39.01 2occ h ASP 139 CO 0.46 0.62 -0.64 0.20 -2.04 0.00 0.00 179.24 177.84 2occ s ASN 140 N -5.92 5.04 0.78 4.15 0.01 -1.26 -5.02 114.94 112.72 2occ s ASN 140 Ca -0.14 -1.71 -0.11 0.00 -0.71 0.00 0.00 52.86 50.19 2occ s ASN 140 Cb 0.06 -1.76 0.06 0.00 0.41 0.00 0.00 41.25 40.03 2occ s ASN 140 CO 0.74 -0.40 1.08 -0.13 -1.51 0.00 0.00 177.10 176.88 2occ s ARG 141 N 1.16 2.21 -0.48 -0.60 0.52 -1.26 -4.64 118.95 115.87 2occ s ARG 141 Ca 0.03 0.98 -0.16 0.00 -0.52 0.00 0.00 55.73 56.05 2occ s ARG 141 Cb -0.21 -1.91 0.07 0.00 0.52 0.00 0.00 34.95 33.42 2occ s ARG 141 CO -0.03 -1.62 0.45 0.14 0.02 0.00 0.00 175.30 174.25 2occ s VAL 142 N -2.98 5.15 0.13 3.52 -7.23 -0.81 -4.95 120.40 113.24 2occ s VAL 142 Ca 0.61 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 59.61 2occ s VAL 142 Cb -0.16 -4.16 -0.07 0.00 0.56 0.00 0.00 36.38 32.55 2occ s VAL 142 CO 0.56 -0.62 0.86 -0.69 -0.31 0.00 0.00 175.10 174.90 2occ s VAL 143 N 1.89 4.46 -0.01 1.32 1.01 -1.26 -1.47 120.40 126.33 2occ s VAL 143 Ca 0.07 1.86 -0.13 0.00 0.00 0.00 0.00 61.98 63.78 2occ s VAL 143 Cb -0.23 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.95 2occ s VAL 143 CO 0.08 0.41 0.26 -0.76 0.00 0.00 0.00 175.10 175.10 2occ s LEU 144 N -0.50 1.04 0.03 3.92 1.43 -0.73 -4.95 118.68 118.92 2occ s LEU 144 Ca 0.41 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 2occ s LEU 144 Cb -0.23 1.10 -0.05 0.00 0.03 0.00 0.00 46.19 47.04 2occ s LEU 144 CO 0.27 -0.41 1.16 -2.16 0.23 0.00 0.00 176.35 175.44 2occ s PRO 145 N -1.29 4.44 1.10 1.29 0.04 -1.26 -2.57 135.00 136.76 2occ s PRO 145 Ca -0.13 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 2occ s PRO 145 Cb -0.06 -3.41 0.24 0.00 0.04 0.00 0.00 34.50 31.32 2occ s PRO 145 CO 0.03 -0.25 1.07 0.00 0.04 0.00 0.00 177.00 177.89 2occ s MET 146 N 1.26 -0.43 -0.93 4.56 0.23 0.10 -3.80 119.30 120.28 2occ s MET 146 Ca 0.57 0.46 0.00 0.00 -1.03 0.00 0.00 55.69 55.69 2occ s MET 146 Cb -0.27 -1.64 0.00 0.00 -1.53 0.00 0.00 34.83 31.39 2occ s MET 146 CO 0.28 -3.30 0.00 0.39 -2.03 0.00 0.00 175.02 170.36 2occ n GLU 147 N -4.56 -1.91 -4.34 3.16 1.02 -0.68 -4.75 120.64 108.58 2occ n GLU 147 Ca 0.06 0.52 -0.19 0.00 -0.02 0.00 0.00 57.16 57.53 2occ n GLU 147 Cb 0.57 -4.95 -0.13 0.00 -0.02 0.00 0.00 31.44 26.91 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 -4.15 0.88 -0.37 3.49 -1.94 -1.25 -5.03 119.30 110.94 2occ s MET 148 Ca 0.00 -0.70 -0.29 0.00 -1.71 0.00 0.00 55.69 52.99 2occ s MET 148 Cb 0.00 -0.86 0.02 0.00 2.01 0.00 0.00 34.83 35.99 2occ s MET 148 CO 0.00 0.21 1.15 0.99 -0.01 0.00 0.00 175.02 177.36 2occ s THR 149 N -0.80 4.33 -0.07 2.05 2.01 -1.26 -4.48 115.64 117.42 2occ s THR 149 Ca 0.01 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.49 2occ s THR 149 Cb -0.07 -4.42 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2occ s THR 149 CO 0.01 -0.65 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.59 2occ s ILE 150 N 4.10 3.72 -0.28 1.82 1.01 -0.38 -2.32 121.20 128.87 2occ s ILE 150 Ca 0.49 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 2occ s ILE 150 Cb -0.12 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2occ s ILE 150 CO 0.22 0.60 0.22 -0.60 0.00 0.00 0.00 174.94 175.38 2occ s ARG 151 N -0.80 3.95 -0.14 2.79 3.52 -0.09 -0.96 118.95 127.23 2occ s ARG 151 Ca 0.12 -0.27 -0.07 0.00 -0.13 0.00 0.00 55.73 55.38 2occ s ARG 151 Cb -0.11 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2occ s ARG 151 CO 0.01 -0.20 0.12 -1.64 -0.81 0.00 0.00 175.30 172.78 2occ s MET 152 N 1.81 3.57 -0.17 5.12 -1.94 -0.21 -1.07 119.30 126.41 2occ s MET 152 Ca 0.08 -0.20 0.01 0.00 -1.71 0.00 0.00 55.69 53.88 2occ s MET 152 Cb -0.16 -3.19 0.01 0.00 2.01 0.00 0.00 34.83 33.51 2occ s MET 152 CO 0.11 0.64 -0.19 -0.51 -0.01 0.00 0.00 175.02 175.05 2occ s LEU 153 N -0.64 2.19 -0.10 -0.03 1.43 -0.30 -1.69 118.68 119.54 2occ s LEU 153 Ca 0.12 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2occ s LEU 153 Cb -0.12 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2occ s LEU 153 CO 0.02 0.03 0.00 -0.69 0.23 0.00 0.00 176.35 175.94 2occ s VAL 154 N 1.12 4.30 0.24 -1.59 1.01 0.67 -0.79 120.40 125.37 2occ s VAL 154 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2occ s VAL 154 Cb -0.14 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.45 2occ s VAL 154 CO -0.08 0.58 0.50 -0.24 0.00 0.00 0.00 175.10 175.86 2occ n SER 155 N 2.43 -1.43 -3.84 3.32 2.88 -0.94 -1.33 113.62 114.70 2occ n SER 155 Ca -0.18 -1.99 -0.10 0.00 -1.33 0.00 0.00 58.87 55.27 2occ n SER 155 Cb 0.53 2.39 -0.08 0.00 -0.75 0.00 0.00 64.21 66.30 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 -2.30 0.04 0.00 -3.46 0.15 -1.25 -0.75 113.70 106.13 2occ s SER 156 Ca 0.10 -0.45 0.16 0.00 0.70 0.00 0.00 55.95 56.46 2occ s SER 156 Cb -0.03 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.59 2occ s SER 156 CO 0.07 -0.63 0.84 -0.62 1.20 0.00 0.00 173.24 174.11 2occ n GLU 157 N 0.41 1.70 0.00 5.44 1.02 -0.85 -4.07 120.64 124.29 2occ n GLU 157 Ca -0.17 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 2occ n GLU 157 Cb 0.60 -1.26 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 -0.15 0.00 -3.93 1.62 5.68 -1.26 -5.04 116.55 113.47 2occ n ASP 158 Ca 0.06 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.15 2occ n ASP 158 Cb 0.33 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.43 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 -2.32 2.12 0.24 -1.26 -4.65 118.33 112.46 2occ n VAL 159 Ca 0.00 -1.14 -0.32 0.00 -2.04 0.00 0.00 64.34 60.83 2occ n VAL 159 Cb 0.00 -1.17 -0.02 0.00 -1.47 0.00 0.00 33.84 31.18 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 3.61 0.26 1.34 1.43 -1.26 -4.67 118.68 119.39 2occ s LEU 160 Ca 0.57 1.67 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 2occ s LEU 160 Cb -0.03 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2occ s LEU 160 CO 0.38 -0.76 0.35 -1.00 0.23 0.00 0.00 176.35 175.55 2occ s HIS 161 N -2.52 0.87 -0.06 0.29 3.76 -0.40 -4.50 115.29 112.73 2occ s HIS 161 Ca 0.61 -1.13 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 2occ s HIS 161 Cb -0.12 -0.18 0.04 0.00 1.11 0.00 0.00 32.58 33.43 2occ s HIS 161 CO 0.32 -0.90 0.11 0.45 -0.85 0.00 0.00 174.74 173.87 2occ s SER 162 N -3.14 0.43 -0.35 1.40 0.15 -1.26 0.23 113.70 111.17 2occ s SER 162 Ca 0.31 0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.98 2occ s SER 162 Cb 0.02 0.09 -0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2occ s SER 162 CO 0.14 -0.19 0.57 0.86 1.20 0.00 0.00 173.24 175.81 2occ s TRP 163 N 1.68 3.17 0.04 3.44 -0.00 -0.41 -0.82 118.94 126.04 2occ s TRP 163 Ca -0.03 0.26 0.02 0.00 -0.00 0.00 0.00 56.10 56.35 2occ s TRP 163 Cb -0.12 -3.01 -0.02 0.00 -0.00 0.00 0.00 33.47 30.31 2occ s TRP 163 CO -0.05 -0.58 -0.08 0.00 -0.00 0.00 0.00 176.95 176.25 2occ s ALA 164 N 2.53 0.62 -0.36 5.86 0.00 -1.25 -2.18 121.76 126.97 2occ s ALA 164 Ca 0.21 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2occ s ALA 164 Cb -0.15 0.00 0.15 0.00 0.00 0.00 0.00 23.12 23.12 2occ s ALA 164 CO 0.14 0.02 0.27 0.08 0.00 0.00 0.00 175.76 176.27 2occ s VAL 165 N -1.16 0.02 0.18 0.00 1.01 -0.63 -3.32 120.40 116.49 2occ s VAL 165 Ca -0.07 -1.58 -0.27 0.00 0.00 0.00 0.00 61.98 60.06 2occ s VAL 165 Cb -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.31 2occ s VAL 165 CO 0.00 -0.90 1.53 -2.65 0.00 0.00 0.00 175.10 173.09 2occ n PRO 166 N 4.00 -0.38 0.27 2.72 -0.02 -1.26 -0.82 135.00 139.51 2occ n PRO 166 Ca 0.13 1.51 0.17 0.00 -2.02 0.00 0.00 63.50 63.29 2occ n PRO 166 Cb 0.40 -2.22 0.89 0.00 -0.02 0.00 0.00 33.50 32.54 2occ n PRO 166 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2occ h SER 167 N 0.00 0.00 -0.01 2.55 4.64 -1.84 0.10 113.55 119.00 2occ h SER 167 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2occ h SER 167 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2occ h SER 167 CO -0.95 0.00 -0.66 0.18 -0.87 0.00 0.00 176.83 174.53 2occ n LEU 168 N -2.70 1.46 -1.27 5.97 4.77 0.00 -0.60 117.00 124.64 2occ n LEU 168 Ca -0.02 -0.64 -0.05 0.00 -0.03 0.00 0.00 56.01 55.27 2occ n LEU 168 Cb 0.12 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2occ n LEU 168 CO 0.14 0.30 0.05 0.61 -1.33 0.00 0.00 177.39 177.16 2occ n GLY 169 N 1.40 0.53 3.21 -0.72 0.00 0.36 -4.40 105.19 105.57 2occ n GLY 169 Ca 0.06 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.54 2.12 -0.30 0.99 1.43 -1.16 -4.91 118.68 114.32 2occ s LEU 170 Ca 0.09 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.67 2occ s LEU 170 Cb -0.04 -0.90 0.18 0.00 0.03 0.00 0.00 46.19 45.46 2occ s LEU 170 CO 0.16 0.16 0.89 -0.75 0.23 0.00 0.00 176.35 177.04 2occ s LYS 171 N -0.90 0.33 -0.05 1.70 2.47 -1.25 -1.61 119.74 120.43 2occ s LYS 171 Ca 0.06 0.59 0.01 0.00 -1.56 0.00 0.00 55.97 55.07 2occ s LYS 171 Cb -0.08 0.33 0.02 0.00 -1.46 0.00 0.00 37.83 36.64 2occ s LYS 171 CO 0.01 -0.35 -0.05 0.99 0.16 0.00 0.00 175.35 176.11 2occ s THR 172 N 2.91 0.59 0.50 3.43 2.01 -0.93 -4.99 115.64 119.16 2occ s THR 172 Ca 0.07 -0.13 -0.21 0.00 0.31 0.00 0.00 61.69 61.72 2occ s THR 172 Cb -0.12 -0.62 -0.07 0.00 0.01 0.00 0.00 72.50 71.71 2occ s THR 172 CO -0.15 0.25 1.14 -1.81 -0.69 0.00 0.00 174.62 173.36 2occ s ASP 173 N 1.03 5.96 -0.44 3.53 1.11 -1.26 -1.29 116.67 125.31 2occ s ASP 173 Ca -0.09 2.23 -0.10 0.00 0.18 0.00 0.00 52.55 54.77 2occ s ASP 173 Cb -0.14 -2.59 0.10 0.00 1.07 0.00 0.00 42.92 41.35 2occ s ASP 173 CO -0.00 -1.05 0.30 0.00 1.18 0.00 0.00 175.17 175.59 2occ s ALA 174 N -1.66 3.35 -0.14 5.23 0.00 0.14 -4.67 121.76 124.00 2occ s ALA 174 Ca 0.68 -2.31 0.01 0.00 0.00 0.00 0.00 51.96 50.34 2occ s ALA 174 Cb -0.26 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2occ s ALA 174 CO 0.30 -1.76 -0.16 0.42 0.00 0.00 0.00 175.76 174.57 2occ s ILE 175 N 1.41 2.70 0.22 0.00 1.01 -1.26 -1.28 121.20 124.01 2occ s ILE 175 Ca 0.04 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 59.60 2occ s ILE 175 Cb -0.24 -2.13 -0.14 0.00 0.01 0.00 0.00 42.46 39.96 2occ s ILE 175 CO 0.01 0.52 1.42 -2.65 0.00 0.00 0.00 174.94 174.25 2occ n PRO 176 N 3.85 2.00 -0.95 2.79 -0.02 -1.26 -1.45 135.00 139.97 2occ n PRO 176 Ca -0.19 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2occ n PRO 176 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 2.35 0.69 3.16 -1.23 0.00 -1.26 -4.97 105.19 103.93 2occ n GLY 177 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.22 1.08 -0.38 1.61 3.52 -0.52 -5.12 118.95 118.91 2occ s ARG 178 Ca 0.00 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.83 2occ s ARG 178 Cb 0.00 -1.10 0.10 0.00 -1.56 0.00 0.00 34.95 32.39 2occ s ARG 178 CO 0.00 0.28 0.15 -0.51 -0.81 0.00 0.00 175.30 174.41 2occ s LEU 179 N -1.00 4.98 -0.05 -0.88 1.43 -1.26 -4.42 118.68 117.47 2occ s LEU 179 Ca 0.04 -1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 51.03 2occ s LEU 179 Cb -0.08 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2occ s LEU 179 CO 0.01 -0.48 0.44 0.20 0.23 0.00 0.00 176.35 176.76 2occ s ASN 180 N 1.59 6.76 -0.10 2.29 0.01 -0.44 -4.88 114.94 120.17 2occ s ASN 180 Ca 0.07 0.90 -0.03 0.00 -0.71 0.00 0.00 52.86 53.10 2occ s ASN 180 Cb -0.22 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 2occ s ASN 180 CO -0.04 0.18 0.01 -1.58 -1.51 0.00 0.00 177.10 174.15 2occ s GLN 181 N -0.31 3.14 0.07 -0.60 0.74 -1.26 -0.24 119.66 121.20 2occ s GLN 181 Ca 0.25 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 55.21 2occ s GLN 181 Cb -0.16 -2.85 -0.02 0.00 1.10 0.00 0.00 33.01 31.08 2occ s GLN 181 CO 0.12 0.63 0.07 -0.08 -0.55 0.00 0.00 175.29 175.48 2occ s THR 182 N -0.67 0.18 -0.25 -0.34 -1.32 -0.68 -5.01 115.64 107.55 2occ s THR 182 Ca 0.11 -1.50 -0.05 0.00 -1.21 0.00 0.00 61.69 59.04 2occ s THR 182 Cb -0.12 -1.41 -0.01 0.00 -1.51 0.00 0.00 72.50 69.46 2occ s THR 182 CO 0.02 -0.83 0.01 -0.89 -2.21 0.00 0.00 174.62 170.72 2occ s THR 183 N -3.83 3.65 -0.09 5.08 2.01 -1.26 -1.04 115.64 120.16 2occ s THR 183 Ca 0.06 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 2occ s THR 183 Cb 0.06 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2occ s THR 183 CO -0.10 0.31 0.16 -0.22 -0.69 0.00 0.00 174.62 174.07 2occ s LEU 184 N 1.50 4.39 -0.34 4.42 0.20 -0.13 -4.97 118.68 123.74 2occ s LEU 184 Ca 0.05 0.45 0.03 0.00 0.69 0.00 0.00 54.13 55.34 2occ s LEU 184 Cb -0.15 -2.22 0.19 0.00 -0.43 0.00 0.00 46.19 43.58 2occ s LEU 184 CO -0.01 0.37 0.72 -0.32 -0.29 0.00 0.00 176.35 176.83 2occ s MET 185 N -1.26 0.56 0.12 1.98 1.75 -1.26 -1.24 119.30 119.95 2occ s MET 185 Ca 0.18 0.10 -0.18 0.00 -1.25 0.00 0.00 55.69 54.54 2occ s MET 185 Cb -0.12 0.14 -0.07 0.00 2.84 0.00 0.00 34.83 37.62 2occ s MET 185 CO 0.08 -0.91 0.60 0.45 -0.65 0.00 0.00 175.02 174.59 2occ s SER 186 N 2.35 7.00 -0.07 1.11 0.15 -1.26 -4.41 113.70 118.57 2occ s SER 186 Ca 0.15 1.25 0.16 0.00 0.70 0.00 0.00 55.95 58.21 2occ s SER 186 Cb -0.05 -2.35 0.53 0.00 -1.71 0.00 0.00 66.02 62.44 2occ s SER 186 CO -0.17 0.18 1.45 -1.54 1.20 0.00 0.00 173.24 174.36 2occ n SER 187 N 1.27 3.86 -3.72 5.45 3.41 -0.48 -1.69 113.62 121.73 2occ n SER 187 Ca -0.07 -2.34 -0.13 0.00 -0.26 0.00 0.00 58.87 56.06 2occ n SER 187 Cb 0.51 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.62 0.77 0.74 4.33 0.52 -1.26 -4.88 118.95 117.54 2occ s ARG 188 Ca 0.39 -0.22 -0.09 0.00 -0.52 0.00 0.00 55.73 55.30 2occ s ARG 188 Cb 0.25 0.34 0.06 0.00 0.52 0.00 0.00 34.95 36.13 2occ s ARG 188 CO 0.20 -0.23 1.08 -1.25 0.02 0.00 0.00 175.30 175.12 2occ s PRO 189 N -1.67 2.18 0.00 3.54 0.04 -1.26 -4.84 135.00 132.99 2occ s PRO 189 Ca -0.11 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2occ s PRO 189 Cb -0.03 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2occ s PRO 189 CO 0.03 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.13 2occ n GLY 190 N -3.07 0.79 3.44 0.56 0.00 -0.46 -4.90 105.19 101.55 2occ n GLY 190 Ca 0.08 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 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 2.98 -0.11 0.99 1.43 -1.26 -0.45 118.68 122.26 2occ s LEU 191 Ca 0.00 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2occ s LEU 191 Cb 0.00 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.55 2occ s LEU 191 CO 0.00 0.18 -0.08 -0.31 0.23 0.00 0.00 176.35 176.37 2occ s TYR 192 N 0.26 1.48 0.23 0.29 2.02 0.04 -4.80 117.35 116.86 2occ s TYR 192 Ca -0.06 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 55.94 2occ s TYR 192 Cb -0.15 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2occ s TYR 192 CO 0.04 -0.48 0.39 0.71 -1.57 0.00 0.00 175.55 174.64 2occ s TYR 193 N 1.56 3.48 0.27 2.71 1.51 -1.26 -0.65 117.35 124.96 2occ s TYR 193 Ca 0.02 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.12 2occ s TYR 193 Cb -0.13 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 2occ s TYR 193 CO -0.07 0.37 0.61 0.20 -1.11 0.00 0.00 175.55 175.56 2occ s GLY 194 N -3.56 0.23 0.06 0.71 0.00 0.23 -4.26 107.32 100.74 2occ s GLY 194 Ca 0.37 -0.60 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 2occ s GLY 194 CO 0.30 -0.35 0.03 1.20 0.00 0.00 0.00 173.10 174.28 2occ s GLN 195 N -3.89 0.68 0.02 2.90 -0.21 -1.21 -0.95 119.66 117.01 2occ s GLN 195 Ca 0.17 -1.15 -0.31 0.00 0.02 0.00 0.00 55.36 54.09 2occ s GLN 195 Cb -0.04 0.25 -0.10 0.00 1.00 0.00 0.00 33.01 34.13 2occ s GLN 195 CO 0.08 -0.16 1.95 0.00 -2.12 0.00 0.00 175.29 175.05 2occ n SER 197 N 7.24 6.85 -3.61 0.00 7.64 -0.00 -4.86 113.62 126.88 2occ n SER 197 Ca 0.20 -3.78 -0.03 0.00 1.01 0.00 0.00 58.87 56.28 2occ n SER 197 Cb 0.38 -0.78 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 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 0.56 0.05 1.43 2.56 -1.26 -4.48 118.70 113.80 2occ s GLU 198 Ca 0.61 1.20 -0.34 0.00 0.00 0.00 0.00 54.97 56.44 2occ s GLU 198 Cb 0.48 0.52 -0.13 0.00 2.00 0.00 0.00 34.13 36.99 2occ s GLU 198 CO 0.00 -0.16 1.67 1.51 -0.56 0.00 0.00 175.26 177.73 2occ n ILE 199 N 4.87 0.21 -1.92 -3.70 3.06 -1.26 -4.51 119.36 116.12 2occ n ILE 199 Ca -0.15 -0.04 0.01 0.00 -2.50 0.00 0.00 62.75 60.08 2occ n ILE 199 Cb 0.53 -1.59 0.02 0.00 0.54 0.00 0.00 39.64 39.14 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 -0.14 -0.28 0.38 0.00 0.00 -1.26 -4.80 105.19 99.09 2occ n GLY 201 Ca 0.02 -2.25 0.28 0.00 0.00 0.00 0.00 46.02 44.07 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 0.41 -0.68 1.61 0.02 -2.03 -1.69 113.55 111.19 2occ h SER 202 Ca 0.00 0.17 -0.46 0.00 -0.84 0.00 0.00 61.79 60.66 2occ h SER 202 Cb 0.00 0.14 -0.29 0.00 0.14 0.00 0.00 62.40 62.38 2occ h SER 202 CO 0.00 -0.16 -0.20 0.59 -1.14 0.00 0.00 176.83 175.92 2occ n ASN 203 N -4.93 4.78 -0.14 3.07 4.13 -1.26 -4.74 115.26 116.17 2occ n ASN 203 Ca 0.33 -3.78 0.09 0.00 1.68 0.00 0.00 54.58 52.90 2occ n ASN 203 Cb 1.14 -0.58 0.42 0.00 -1.54 0.00 0.00 39.78 39.21 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 1.76 0.62 0.00 3.10 -0.00 -1.61 -1.87 115.15 117.16 2occ h HIS 204 Ca 0.38 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.76 2occ h HIS 204 Cb 1.40 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2occ h HIS 204 CO 1.05 0.32 -0.06 0.43 -0.00 0.00 0.00 177.93 179.67 2occ n SER 205 N -4.48 0.32 -2.84 3.26 7.64 -1.26 -4.24 113.62 112.01 2occ n SER 205 Ca 0.10 0.46 -0.29 0.00 1.01 0.00 0.00 58.87 60.15 2occ n SER 205 Cb 0.29 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.77 3.63 -2.86 1.43 3.72 -0.70 -4.80 117.46 116.11 2occ n PHE 206 Ca 0.06 -3.41 -0.12 0.00 -0.05 0.00 0.00 57.45 53.93 2occ n PHE 206 Cb 0.37 -0.47 0.03 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.34 0.87 -1.27 -1.08 0.00 -1.26 -4.66 117.12 109.38 2occ n MET 207 Ca 0.37 -2.21 -0.29 0.00 0.00 0.00 0.00 57.70 55.57 2occ n MET 207 Cb 0.46 -1.32 0.18 0.00 0.00 0.00 0.00 33.22 32.54 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 0.34 -0.05 3.17 0.04 -1.26 -3.72 135.00 133.43 2occ s PRO 208 Ca 0.30 0.33 0.02 0.00 0.04 0.00 0.00 61.00 61.70 2occ s PRO 208 Cb 0.25 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 33.06 2occ s PRO 208 CO -0.15 -2.75 -0.11 0.42 0.04 0.00 0.00 177.00 174.46 2occ s ILE 209 N -3.08 0.98 -0.07 0.56 1.01 -0.12 -4.81 121.20 115.66 2occ s ILE 209 Ca 0.66 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2occ s ILE 209 Cb -0.16 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.43 2occ s ILE 209 CO 0.56 0.31 -0.07 -0.69 0.00 0.00 0.00 174.94 175.06 2occ s VAL 210 N 0.57 0.83 -0.16 2.92 1.01 -1.26 -0.60 120.40 123.71 2occ s VAL 210 Ca -0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2occ s VAL 210 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2occ s VAL 210 CO 0.02 0.31 0.03 -0.76 0.00 0.00 0.00 175.10 174.70 2occ s LEU 211 N 1.22 3.67 -0.27 3.92 1.02 0.17 -1.92 118.68 126.50 2occ s LEU 211 Ca -0.05 0.06 -0.02 0.00 0.02 0.00 0.00 54.13 54.14 2occ s LEU 211 Cb -0.14 -1.90 0.03 0.00 0.02 0.00 0.00 46.19 44.20 2occ s LEU 211 CO -0.02 0.22 -0.03 -0.70 0.02 0.00 0.00 176.35 175.84 2occ s GLU 212 N 0.08 2.73 -0.27 1.70 2.12 -0.55 -0.78 118.70 123.73 2occ s GLU 212 Ca 0.04 -1.05 -0.07 0.00 0.36 0.00 0.00 54.97 54.24 2occ s GLU 212 Cb -0.13 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 2occ s GLU 212 CO 0.01 -0.47 0.08 -0.51 -0.54 0.00 0.00 175.26 173.83 2occ s LEU 213 N 1.32 3.65 0.24 2.70 1.02 0.40 -1.78 118.68 126.23 2occ s LEU 213 Ca -0.01 -0.45 0.04 0.00 0.02 0.00 0.00 54.13 53.73 2occ s LEU 213 Cb -0.18 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.07 2occ s LEU 213 CO -0.03 -0.12 -0.01 0.68 0.02 0.00 0.00 176.35 176.89 2occ s VAL 214 N 1.56 1.13 0.94 -1.59 -7.23 -1.06 -1.36 120.40 112.80 2occ s VAL 214 Ca 0.05 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 2occ s VAL 214 Cb -0.16 -2.36 0.16 0.00 0.56 0.00 0.00 36.38 34.58 2occ s VAL 214 CO 0.03 -0.32 1.12 -2.84 -0.31 0.00 0.00 175.10 172.78 2occ s PRO 215 N -3.84 0.81 0.13 4.82 0.02 -1.26 -0.72 135.00 134.95 2occ s PRO 215 Ca 0.29 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.36 2occ s PRO 215 Cb 0.05 -1.72 -0.09 0.00 0.02 0.00 0.00 34.50 32.77 2occ s PRO 215 CO 0.09 -2.72 1.57 1.25 -0.33 0.00 0.00 177.00 176.86 2occ h LEU 216 N -1.92 -1.56 -0.98 -5.54 6.46 -1.93 -2.00 115.31 107.85 2occ h LEU 216 Ca -0.47 0.20 0.23 0.00 -0.12 0.00 0.00 57.88 57.72 2occ h LEU 216 Cb 1.28 0.63 -0.12 0.00 -0.73 0.00 0.00 40.66 41.71 2occ h LEU 216 CO 0.44 -0.45 0.56 0.07 -0.62 0.00 0.00 178.44 178.44 2occ h LYS 217 N -0.51 0.57 0.00 1.25 2.10 -2.01 0.73 116.57 118.70 2occ h LYS 217 Ca 0.06 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.60 2occ h LYS 217 Cb 0.65 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.84 2occ h LYS 217 CO -0.45 0.38 -0.39 1.88 -2.00 0.00 0.00 179.45 178.86 2occ h TYR 218 N 0.59 0.00 -0.08 0.07 -1.99 -1.77 -3.03 116.97 110.76 2occ h TYR 218 Ca 0.61 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.32 2occ h TYR 218 Cb 1.11 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.84 2occ h TYR 218 CO -0.03 0.39 -0.03 0.35 -0.00 0.00 0.00 178.16 178.84 2occ h PHE 219 N 0.00 0.18 -0.35 4.88 3.57 0.11 -2.86 116.94 122.48 2occ h PHE 219 Ca -0.00 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.52 2occ h PHE 219 Cb 0.94 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 2occ h PHE 219 CO 0.00 0.50 -0.09 0.93 -2.23 0.00 0.00 178.31 177.43 2occ h GLU 220 N -0.19 -0.00 -0.08 1.11 5.08 -1.12 -0.12 114.58 119.25 2occ h GLU 220 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2occ h GLU 220 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2occ h GLU 220 CO 0.01 -0.00 -0.30 0.87 -1.00 0.00 0.00 179.01 178.59 2occ h LYS 221 N -0.00 0.15 -0.49 2.33 1.57 -1.62 -2.32 116.57 116.20 2occ h LYS 221 Ca 0.17 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2occ h LYS 221 Cb 0.25 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2occ h LYS 221 CO -0.36 0.45 -0.05 2.35 -0.57 0.00 0.00 179.45 181.27 2occ h TRP 222 N 0.14 0.98 0.13 -1.35 7.01 -1.04 -1.16 115.95 120.65 2occ h TRP 222 Ca 0.02 -0.19 0.02 0.00 2.11 0.00 0.00 58.89 60.85 2occ h TRP 222 Cb 0.61 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.39 2occ h TRP 222 CO 0.01 0.94 -0.24 0.77 -2.79 0.00 0.00 178.44 177.12 2occ h SER 223 N 0.74 -0.68 -1.01 2.65 0.02 -0.56 -1.85 113.55 112.88 2occ h SER 223 Ca 0.13 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 2occ h SER 223 Cb 0.58 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 2occ h SER 223 CO 0.03 -0.33 0.65 0.00 -1.14 0.00 0.00 176.83 176.05 2occ h ALA 224 N 0.30 1.37 0.00 3.77 0.00 -1.30 -1.25 119.26 122.15 2occ h ALA 224 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2occ h ALA 224 Cb 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2occ h ALA 224 CO -0.13 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.27 2occ h SER 225 N 1.22 0.00 -0.23 0.00 4.64 -0.77 -2.63 113.55 115.78 2occ h SER 225 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2occ h SER 225 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2occ h SER 225 CO -0.15 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.04 2occ n MET 226 N -2.86 1.72 -0.10 4.77 2.81 -0.48 -5.09 117.12 117.89 2occ n MET 226 Ca 0.01 -1.10 0.00 0.00 -1.81 0.00 0.00 57.70 54.81 2occ n MET 226 Cb 0.30 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 2occ n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76