#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iim s LYS 2 N 0.00 4.64 0.08 2.12 1.02 -1.26 -4.72 119.74 121.63 1iim s LYS 2 Ca 0.00 1.53 -0.31 0.00 0.02 0.00 0.00 55.97 57.21 1iim s LYS 2 Cb 0.00 -3.04 -0.08 0.00 -0.52 0.00 0.00 37.83 34.19 1iim s LYS 2 CO 0.00 0.30 1.57 0.99 -0.92 0.00 0.00 175.35 177.29 1iim s THR 3 N -1.35 3.08 0.00 2.17 2.01 -0.79 -4.84 115.64 115.91 1iim s THR 3 Ca 0.46 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.08 1iim s THR 3 Cb -0.25 -3.40 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1iim s THR 3 CO 0.32 0.01 0.29 0.54 -0.69 0.00 0.00 174.62 175.09 1iim n ARG 4 N 5.04 0.75 -4.30 4.92 5.12 -1.26 -4.70 116.66 122.23 1iim n ARG 4 Ca 0.15 -0.29 -0.29 0.00 -1.93 0.00 0.00 57.85 55.49 1iim n ARG 4 Cb 0.41 -0.76 -0.11 0.00 -1.16 0.00 0.00 32.46 30.84 1iim n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1iim s LYS 5 N -0.19 1.82 0.02 5.56 1.02 -1.26 -3.38 119.74 123.33 1iim s LYS 5 Ca 0.00 -1.19 -0.13 0.00 0.02 0.00 0.00 55.97 54.67 1iim s LYS 5 Cb 0.00 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1iim s LYS 5 CO 0.00 0.47 0.28 0.20 -0.92 0.00 0.00 175.35 175.38 1iim s GLY 6 N -2.24 -0.10 -0.04 -3.33 0.00 -0.61 -1.19 107.32 99.82 1iim s GLY 6 Ca 0.19 0.07 0.05 0.00 0.00 0.00 0.00 44.72 45.03 1iim s GLY 6 CO 0.11 -0.13 -0.19 -0.42 0.00 0.00 0.00 173.10 172.47 1iim s ILE 7 N -2.02 1.55 -0.27 0.90 1.01 0.09 -0.89 121.20 121.58 1iim s ILE 7 Ca -0.09 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.72 1iim s ILE 7 Cb -0.03 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1iim s ILE 7 CO -0.00 0.44 0.02 -0.63 0.00 0.00 0.00 174.94 174.77 1iim s ILE 8 N -0.08 3.50 -0.51 2.92 1.01 -0.23 -1.09 121.20 126.71 1iim s ILE 8 Ca -0.02 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.60 1iim s ILE 8 Cb -0.11 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.62 1iim s ILE 8 CO 0.02 0.15 0.85 -0.22 0.00 0.00 0.00 174.94 175.75 1iim s LEU 9 N 1.43 4.25 -0.39 2.97 2.96 -0.77 -1.53 118.68 127.61 1iim s LEU 9 Ca 0.02 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 1iim s LEU 9 Cb -0.17 -2.85 0.44 0.00 0.50 0.00 0.00 46.19 44.11 1iim s LEU 9 CO -0.01 -1.08 1.09 0.00 -1.32 0.00 0.00 176.35 175.04 1iim n ALA 10 N 7.06 4.65 -2.92 5.97 0.00 0.17 0.25 120.51 135.69 1iim n ALA 10 Ca 0.01 -3.95 0.00 0.00 0.00 0.00 0.00 53.44 49.50 1iim n ALA 10 Cb 0.47 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1iim n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iim n GLY 11 N -0.45 2.12 0.00 0.00 0.00 -1.22 -4.43 105.19 101.21 1iim n GLY 11 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1iim n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iim n GLY 12 N 4.50 -1.39 0.09 -0.02 0.00 -1.26 -4.75 105.19 102.36 1iim n GLY 12 Ca 0.00 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 1iim n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iim n SER 13 N -1.98 0.68 -0.93 1.61 3.41 -1.26 -4.92 113.62 110.23 1iim n SER 13 Ca 0.00 0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1iim n SER 13 Cb 0.00 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1iim n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iim n GLY 14 N 1.54 1.29 0.34 5.00 0.00 -1.26 -4.90 105.19 107.20 1iim n GLY 14 Ca -0.18 -0.34 0.24 0.00 0.00 0.00 0.00 46.02 45.75 1iim n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iim h THR 15 N 0.00 0.30 0.00 2.61 1.03 -1.96 -0.56 112.91 114.33 1iim h THR 15 Ca -0.25 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.04 1iim h THR 15 Cb 0.86 -0.05 -0.00 0.00 -1.07 0.00 0.00 68.15 67.89 1iim h THR 15 CO 0.36 0.06 -0.03 0.03 -0.01 0.00 0.00 175.52 175.93 1iim h ARG 16 N 0.32 0.00 -0.08 0.00 3.08 -1.90 -1.68 114.38 114.11 1iim h ARG 16 Ca 0.74 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.79 1iim h ARG 16 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.76 1iim h ARG 16 CO -0.59 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 179.62 1iim n LEU 17 N -4.14 1.92 -4.62 3.04 4.77 -0.22 -4.77 117.00 112.98 1iim n LEU 17 Ca -0.03 -0.70 -0.44 0.00 -0.03 0.00 0.00 56.01 54.82 1iim n LEU 17 Cb 0.12 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1iim n LEU 17 CO 0.31 0.35 0.66 0.00 -1.33 0.00 0.00 177.39 177.38 1iim n TYR 18 N 0.50 1.52 1.15 -1.77 9.36 -0.64 -1.12 117.16 126.16 1iim n TYR 18 Ca 0.18 0.65 0.07 0.00 3.32 0.00 0.00 57.90 62.12 1iim n TYR 18 Cb 0.41 -2.29 0.26 0.00 -0.63 0.00 0.00 39.34 37.08 1iim n TYR 18 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1iim n PRO 19 N 0.61 1.68 0.10 2.98 -0.04 -1.26 -4.92 135.00 134.15 1iim n PRO 19 Ca 0.08 -1.05 0.03 0.00 -0.04 0.00 0.00 63.50 62.53 1iim n PRO 19 Cb 0.34 -1.30 0.42 0.00 -0.04 0.00 0.00 33.50 32.92 1iim n PRO 19 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1iim h VAL 20 N 1.87 1.14 -0.40 0.52 -1.51 -1.52 -1.74 116.25 114.61 1iim h VAL 20 Ca 0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1iim h VAL 20 Cb 0.42 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1iim h VAL 20 CO 0.00 0.18 0.00 0.35 -1.23 0.00 0.00 177.57 176.87 1iim n THR 21 N -4.35 0.63 0.03 7.19 -2.24 -1.24 -3.81 114.28 110.48 1iim n THR 21 Ca -0.00 -0.56 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1iim n THR 21 Cb 0.20 0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1iim n THR 21 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1iim h MET 22 N 2.35 0.50 0.00 -0.78 -1.53 -1.65 -3.34 114.93 110.48 1iim h MET 22 Ca 0.00 -0.41 0.00 0.00 -3.44 0.00 0.00 59.70 55.85 1iim h MET 22 Cb 0.61 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.74 1iim h MET 22 CO 0.02 1.04 0.00 0.00 0.14 0.00 0.00 176.91 178.11 1iim n ALA 23 N -2.53 2.21 -3.59 0.39 0.00 -1.26 -5.01 120.51 110.72 1iim n ALA 23 Ca -0.05 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 1iim n ALA 23 Cb 0.71 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.04 1iim n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iim s VAL 24 N -0.38 -0.03 0.32 0.00 0.11 -1.25 -5.14 120.40 114.03 1iim s VAL 24 Ca 0.00 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 1iim s VAL 24 Cb 0.00 -0.38 -0.11 0.00 -1.53 0.00 0.00 36.38 34.35 1iim s VAL 24 CO 0.00 0.05 1.58 -0.24 -3.33 0.00 0.00 175.10 173.15 1iim n SER 25 N 3.94 3.91 -0.22 3.54 2.88 -1.26 -4.16 113.62 122.25 1iim n SER 25 Ca -0.22 1.17 0.19 0.00 -1.33 0.00 0.00 58.87 58.68 1iim n SER 25 Cb 0.54 -1.61 0.54 0.00 -0.75 0.00 0.00 64.21 62.93 1iim n SER 25 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1iim h GLN 26 N 4.27 0.34 0.00 -1.46 4.15 -1.89 0.29 115.11 120.81 1iim h GLN 26 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1iim h GLN 26 Cb 1.23 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1iim h GLN 26 CO 0.75 0.23 0.00 1.04 -1.93 0.00 0.00 178.83 178.92 1iim n GLN 27 N -4.48 0.62 0.00 1.69 3.00 -1.26 -2.85 117.38 114.10 1iim n GLN 27 Ca 0.18 0.01 0.06 0.00 -0.01 0.00 0.00 57.00 57.25 1iim n GLN 27 Cb 0.69 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.40 1iim n GLN 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1iim n LEU 28 N -1.17 1.08 -4.76 1.08 4.77 0.07 -0.88 117.00 117.20 1iim n LEU 28 Ca 0.17 -0.65 -0.38 0.00 -0.03 0.00 0.00 56.01 55.12 1iim n LEU 28 Cb 0.18 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1iim n LEU 28 CO 0.20 0.22 0.93 -0.76 -1.33 0.00 0.00 177.39 176.65 1iim s LEU 29 N -2.18 3.87 0.38 2.23 1.43 -1.11 -4.43 118.68 118.87 1iim s LEU 29 Ca 0.08 2.61 -0.24 0.00 -1.03 0.00 0.00 54.13 55.55 1iim s LEU 29 Cb 0.10 -4.30 -0.10 0.00 0.03 0.00 0.00 46.19 41.93 1iim s LEU 29 CO 0.42 -1.41 1.00 -2.16 0.23 0.00 0.00 176.35 174.43 1iim s PRO 30 N -2.89 4.32 -0.57 1.29 0.04 -1.26 -0.42 135.00 135.50 1iim s PRO 30 Ca 0.70 1.38 0.04 0.00 0.04 0.00 0.00 61.00 63.16 1iim s PRO 30 Cb -0.36 -2.56 0.14 0.00 0.04 0.00 0.00 34.50 31.75 1iim s PRO 30 CO 0.43 0.02 0.33 0.42 0.04 0.00 0.00 177.00 178.24 1iim s ILE 31 N -1.74 2.71 0.00 0.56 -1.09 -0.32 -4.81 121.20 116.51 1iim s ILE 31 Ca 0.56 -3.57 0.00 0.00 -2.23 0.00 0.00 60.65 55.41 1iim s ILE 31 Cb -0.18 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1iim s ILE 31 CO 0.24 -0.86 0.00 0.00 -1.23 0.00 0.00 174.94 173.09 1iim n TYR 32 N 2.82 0.00 -0.56 3.97 9.36 -1.26 -3.52 117.16 127.97 1iim n TYR 32 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 1iim n TYR 32 Cb 0.33 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.05 1iim n TYR 32 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1iim n ASP 33 N 2.44 1.07 -3.58 2.98 5.75 -1.26 -5.08 116.55 118.87 1iim n ASP 33 Ca 0.00 -1.61 -0.12 0.00 -0.01 0.00 0.00 54.79 53.05 1iim n ASP 33 Cb 0.00 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.02 1iim n ASP 33 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1iim s LYS 34 N -0.61 1.09 0.56 0.11 -2.85 -1.23 -5.03 119.74 111.79 1iim s LYS 34 Ca 0.01 -0.51 -0.21 0.00 -1.00 0.00 0.00 55.97 54.26 1iim s LYS 34 Cb 0.01 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 1iim s LYS 34 CO 0.00 -0.43 1.32 -2.30 0.10 0.00 0.00 175.35 174.04 1iim n PRO 35 N -0.03 1.54 -0.32 1.78 -0.02 -1.26 -1.17 135.00 135.52 1iim n PRO 35 Ca -0.17 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1iim n PRO 35 Cb 0.63 -2.53 0.20 0.00 -0.02 0.00 0.00 33.50 31.77 1iim n PRO 35 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1iim h MET 36 N 1.23 0.83 0.00 -0.52 1.85 -0.77 -1.49 114.93 116.06 1iim h MET 36 Ca -0.51 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 58.53 1iim h MET 36 Cb 1.31 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 33.16 1iim h MET 36 CO 0.56 0.55 -0.01 0.97 -0.40 0.00 0.00 176.91 178.58 1iim h ILE 37 N 0.85 0.07 -0.03 1.77 2.10 -1.19 -1.43 117.51 119.66 1iim h ILE 37 Ca 0.44 -0.09 0.01 0.00 1.08 0.00 0.00 64.86 66.30 1iim h ILE 37 Cb 0.43 1.09 -0.00 0.00 -1.09 0.00 0.00 36.82 37.25 1iim h ILE 37 CO -0.26 0.01 0.03 1.88 -1.08 0.00 0.00 178.15 178.72 1iim h TYR 38 N 0.00 0.00 0.43 2.19 -1.99 -1.56 -2.16 116.97 113.88 1iim h TYR 38 Ca -0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1iim h TYR 38 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1iim h TYR 38 CO 0.00 0.00 -0.21 1.88 -0.00 0.00 0.00 178.16 179.83 1iim h TYR 39 N 0.00 -0.54 -0.10 4.88 -1.99 -1.42 -0.67 116.97 117.13 1iim h TYR 39 Ca 0.02 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.76 1iim h TYR 39 Cb 0.07 0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 1iim h TYR 39 CO 0.00 -0.33 0.07 -1.00 -0.00 0.00 0.00 178.16 176.90 1iim h PRO 40 N -1.02 0.01 -0.24 4.88 0.13 -1.62 -0.70 132.00 133.44 1iim h PRO 40 Ca -0.06 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1iim h PRO 40 Cb 0.44 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1iim h PRO 40 CO 0.10 0.00 0.09 1.25 -0.23 0.00 0.00 178.00 179.21 1iim h LEU 41 N 0.01 0.35 -1.14 1.56 7.12 -1.40 -2.21 115.31 119.59 1iim h LEU 41 Ca 0.05 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 57.86 1iim h LEU 41 Cb 0.19 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.19 1iim h LEU 41 CO -0.00 0.44 0.43 0.28 -0.13 0.00 0.00 178.44 179.46 1iim h SER 42 N 0.23 0.90 -0.36 1.25 0.02 0.09 -2.02 113.55 113.67 1iim h SER 42 Ca 0.08 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1iim h SER 42 Cb 0.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1iim h SER 42 CO -0.00 0.71 0.23 0.74 -1.14 0.00 0.00 176.83 177.37 1iim h THR 43 N 1.03 1.10 -0.72 -2.27 2.02 -0.73 -0.62 112.91 112.72 1iim h THR 43 Ca 0.27 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1iim h THR 43 Cb -0.01 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1iim h THR 43 CO -0.05 0.10 0.22 -0.07 0.37 0.00 0.00 175.52 176.09 1iim h LEU 44 N 0.48 1.05 -0.55 2.58 3.38 -1.13 -2.40 115.31 118.73 1iim h LEU 44 Ca 0.13 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1iim h LEU 44 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1iim h LEU 44 CO -0.03 0.98 0.34 0.24 0.09 0.00 0.00 178.44 180.07 1iim h MET 45 N 1.06 0.67 0.00 1.13 2.86 -0.94 -0.99 114.93 118.72 1iim h MET 45 Ca 0.23 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1iim h MET 45 Cb 0.31 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1iim h MET 45 CO -0.01 0.45 -0.08 -0.07 1.06 0.00 0.00 176.91 178.25 1iim h LEU 46 N 0.69 0.00 -0.38 1.22 3.38 -0.86 0.92 115.31 120.29 1iim h LEU 46 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1iim h LEU 46 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1iim h LEU 46 CO -0.07 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1iim n ALA 47 N -2.36 2.62 -0.77 1.53 0.00 -0.58 -4.81 120.51 116.15 1iim n ALA 47 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1iim n ALA 47 Cb 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1iim n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iim n GLY 48 N 1.01 0.73 3.62 0.00 0.00 0.32 -4.88 105.19 105.99 1iim n GLY 48 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1iim n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iim s ILE 49 N -2.65 4.81 -0.14 -0.61 1.01 -0.48 -4.91 121.20 118.23 1iim s ILE 49 Ca 0.00 1.22 0.07 0.00 0.00 0.00 0.00 60.65 61.94 1iim s ILE 49 Cb 0.00 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.24 1iim s ILE 49 CO 0.00 -0.21 0.22 0.54 0.00 0.00 0.00 174.94 175.49 1iim n ARG 50 N 6.14 1.98 -3.55 2.79 1.74 -1.25 -3.78 116.66 120.73 1iim n ARG 50 Ca 0.04 -0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 1iim n ARG 50 Cb 0.48 -1.04 -0.10 0.00 -1.02 0.00 0.00 32.46 30.78 1iim n ARG 50 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1iim s ASP 51 N -2.38 5.82 -0.04 0.55 2.15 -1.22 -1.13 116.67 120.42 1iim s ASP 51 Ca -0.01 -1.21 0.03 0.00 0.43 0.00 0.00 52.55 51.79 1iim s ASP 51 Cb 0.05 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1iim s ASP 51 CO 0.30 -0.49 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.06 1iim s ILE 52 N 1.54 1.05 -0.22 4.11 1.01 -0.74 -1.57 121.20 126.37 1iim s ILE 52 Ca 0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 1iim s ILE 52 Cb -0.21 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1iim s ILE 52 CO 0.06 0.32 0.11 -0.22 0.00 0.00 0.00 174.94 175.20 1iim s LEU 53 N 0.25 3.86 -0.20 2.97 2.96 -0.06 -1.25 118.68 127.20 1iim s LEU 53 Ca -0.06 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 1iim s LEU 53 Cb -0.11 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1iim s LEU 53 CO 0.02 0.08 0.06 -0.63 -1.32 0.00 0.00 176.35 174.55 1iim s ILE 54 N 0.95 4.55 -0.09 6.68 1.01 0.47 -1.07 121.20 133.70 1iim s ILE 54 Ca 0.05 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1iim s ILE 54 Cb -0.14 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1iim s ILE 54 CO 0.03 0.42 -0.14 -0.63 0.00 0.00 0.00 174.94 174.62 1iim s ILE 55 N 0.77 3.00 0.00 2.92 1.01 -0.58 -1.48 121.20 126.85 1iim s ILE 55 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1iim s ILE 55 Cb -0.14 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1iim s ILE 55 CO 0.02 0.56 0.00 -0.24 0.00 0.00 0.00 174.94 175.28 1iim n SER 56 N 2.93 0.00 -4.89 3.58 2.88 -1.07 0.45 113.62 117.50 1iim n SER 56 Ca -0.18 -0.61 -0.30 0.00 -1.33 0.00 0.00 58.87 56.45 1iim n SER 56 Cb 0.52 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.04 1iim n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1iim s THR 57 N -2.16 3.16 0.36 2.46 -4.23 -1.26 -0.76 115.64 113.21 1iim s THR 57 Ca 0.00 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.92 1iim s THR 57 Cb 0.00 -3.37 0.31 0.00 1.34 0.00 0.00 72.50 70.79 1iim s THR 57 CO 0.00 -0.47 1.91 1.55 -0.54 0.00 0.00 174.62 177.06 1iim h PRO 58 N -0.71 0.69 -0.04 3.99 0.13 -1.84 -0.31 132.00 133.91 1iim h PRO 58 Ca -0.45 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1iim h PRO 58 Cb 1.27 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1iim h PRO 58 CO 0.64 0.46 -0.19 1.96 -0.23 0.00 0.00 178.00 180.64 1iim h GLN 59 N 0.71 0.21 0.00 0.86 7.50 -1.96 -3.38 115.11 119.05 1iim h GLN 59 Ca 0.39 -0.16 0.00 0.00 0.50 0.00 0.00 58.65 59.38 1iim h GLN 59 Cb 0.54 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.10 1iim h GLN 59 CO -0.16 0.81 -0.55 -0.44 -1.50 0.00 0.00 178.83 176.99 1iim h ASP 60 N -0.35 0.00 -0.58 1.46 3.32 -1.87 -3.36 116.42 115.04 1iim h ASP 60 Ca -0.01 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.13 1iim h ASP 60 Cb 0.84 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.31 1iim h ASP 60 CO 0.04 0.00 0.18 0.74 -1.72 0.00 0.00 179.24 178.48 1iim h THR 61 N 0.00 0.72 -0.36 0.35 2.02 -1.23 0.38 112.91 114.79 1iim h THR 61 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1iim h THR 61 Cb 0.99 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1iim h THR 61 CO 0.00 0.06 0.23 -0.65 0.37 0.00 0.00 175.52 175.53 1iim h PRO 62 N 0.33 0.48 -0.47 6.66 0.11 -1.80 -2.25 132.00 135.06 1iim h PRO 62 Ca 0.30 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 1iim h PRO 62 Cb 0.40 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1iim h PRO 62 CO -0.34 0.33 -0.09 0.00 -0.21 0.00 0.00 178.00 177.69 1iim h ARG 63 N 0.50 0.90 -0.63 1.05 3.08 -1.13 0.23 114.38 118.37 1iim h ARG 63 Ca 0.13 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 1iim h ARG 63 Cb -0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1iim h ARG 63 CO -0.03 0.98 0.12 0.74 -1.07 0.00 0.00 179.97 180.71 1iim h PHE 64 N 0.75 1.10 -0.43 3.04 -1.00 -1.02 -1.47 116.94 117.90 1iim h PHE 64 Ca 0.12 -0.15 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1iim h PHE 64 Cb 0.63 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 39.84 1iim h PHE 64 CO 0.05 0.93 0.17 0.37 -1.61 0.00 0.00 178.31 178.22 1iim h GLN 65 N 0.95 0.34 -0.63 1.51 4.15 -1.21 0.26 115.11 120.49 1iim h GLN 65 Ca 0.19 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1iim h GLN 65 Cb 0.41 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1iim h GLN 65 CO 0.01 0.23 0.23 0.37 -1.93 0.00 0.00 178.83 177.74 1iim h GLN 66 N 0.35 0.96 -0.15 1.69 4.15 -0.55 0.73 115.11 122.30 1iim h GLN 66 Ca 0.20 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 1iim h GLN 66 Cb 0.17 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1iim h GLN 66 CO -0.19 0.82 -0.26 1.25 -1.93 0.00 0.00 178.83 178.52 1iim h LEU 67 N 0.89 0.48 0.00 -2.39 6.46 -0.77 -3.37 115.31 116.61 1iim h LEU 67 Ca 0.21 -0.54 -0.19 0.00 -0.12 0.00 0.00 57.88 57.24 1iim h LEU 67 Cb 0.24 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 1iim h LEU 67 CO -0.01 0.94 -1.88 0.18 -0.62 0.00 0.00 178.44 177.05 1iim n LEU 68 N -4.43 0.36 0.00 2.25 4.77 0.89 -5.08 117.00 115.76 1iim n LEU 68 Ca -0.07 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1iim n LEU 68 Cb 0.45 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1iim n LEU 68 CO 0.42 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1iim n GLY 69 N 1.47 0.74 0.00 -0.72 0.00 0.26 -2.21 105.19 104.73 1iim n GLY 69 Ca -0.16 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1iim n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iim n ASP 70 N -2.49 0.00 0.00 1.61 5.68 -1.26 -4.75 116.55 115.34 1iim n ASP 70 Ca 0.00 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 1iim n ASP 70 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1iim n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1iim n GLY 71 N 0.80 0.18 0.31 6.12 0.00 -0.94 -0.93 105.19 110.73 1iim n GLY 71 Ca 0.16 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.38 1iim n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iim h SER 72 N 0.00 0.00 0.42 1.61 4.64 -1.83 -1.19 113.55 117.20 1iim h SER 72 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iim h SER 72 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1iim h SER 72 CO 0.00 0.01 0.00 0.06 -0.87 0.00 0.00 176.83 176.03 1iim h GLN 73 N 0.00 0.00 -0.13 4.77 -0.00 -1.88 -1.39 115.11 116.47 1iim h GLN 73 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1iim h GLN 73 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 1iim h GLN 73 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.74 1iim n TRP 74 N -2.82 0.38 -1.21 0.06 8.01 -0.61 -4.95 117.44 116.31 1iim n TRP 74 Ca -0.01 -0.83 -0.07 0.00 -1.31 0.00 0.00 57.50 55.28 1iim n TRP 74 Cb 0.16 -0.18 -0.03 0.00 -2.01 0.00 0.00 31.31 29.25 1iim n TRP 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1iim n GLY 75 N -0.75 0.95 3.86 6.99 0.00 -0.52 -4.70 105.19 111.01 1iim n GLY 75 Ca 0.15 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 1iim n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iim s LEU 76 N -1.68 3.31 -0.38 0.99 1.43 -0.55 -4.97 118.68 116.83 1iim s LEU 76 Ca 0.00 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 1iim s LEU 76 Cb 0.00 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.43 1iim s LEU 76 CO 0.00 -0.67 0.14 0.21 0.23 0.00 0.00 176.35 176.26 1iim s ASN 77 N -4.11 4.18 -0.14 2.29 3.84 -0.29 -2.98 114.94 117.74 1iim s ASN 77 Ca 0.46 -2.21 -0.11 0.00 0.21 0.00 0.00 52.86 51.21 1iim s ASN 77 Cb -0.02 -1.22 -0.05 0.00 -0.55 0.00 0.00 41.25 39.41 1iim s ASN 77 CO 0.27 -0.34 0.22 -0.76 -2.79 0.00 0.00 177.10 173.69 1iim s LEU 78 N 0.85 4.31 0.19 3.21 1.43 -0.11 -1.80 118.68 126.76 1iim s LEU 78 Ca 0.13 0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.80 1iim s LEU 78 Cb -0.21 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1iim s LEU 78 CO -0.11 0.24 -0.18 -1.10 0.23 0.00 0.00 176.35 175.43 1iim s GLN 79 N -0.19 1.35 0.06 1.70 -0.21 -0.38 -4.66 119.66 117.33 1iim s GLN 79 Ca 0.15 -1.49 0.05 0.00 0.02 0.00 0.00 55.36 54.09 1iim s GLN 79 Cb -0.13 -1.38 -0.03 0.00 1.00 0.00 0.00 33.01 32.48 1iim s GLN 79 CO 0.03 0.27 -0.15 0.71 -2.12 0.00 0.00 175.29 174.03 1iim s TYR 80 N -2.23 1.30 -0.14 0.91 1.51 -1.26 -0.39 117.35 117.04 1iim s TYR 80 Ca 0.19 -0.42 -0.21 0.00 -1.01 0.00 0.00 57.07 55.62 1iim s TYR 80 Cb -0.05 -0.74 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1iim s TYR 80 CO 0.08 0.07 0.53 0.21 -1.11 0.00 0.00 175.55 175.33 1iim s LYS 81 N -1.57 0.73 0.14 -0.62 2.20 -0.55 -4.94 119.74 115.13 1iim s LYS 81 Ca 0.00 0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 55.92 1iim s LYS 81 Cb -0.09 0.35 -0.07 0.00 -1.51 0.00 0.00 37.83 36.50 1iim s LYS 81 CO 0.02 -0.15 0.61 0.08 -0.36 0.00 0.00 175.35 175.56 1iim s VAL 82 N -0.29 4.72 -0.36 4.02 1.01 -1.26 -2.60 120.40 125.64 1iim s VAL 82 Ca -0.05 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.00 1iim s VAL 82 Cb -0.03 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.55 1iim s VAL 82 CO 0.03 0.36 0.14 -1.58 0.00 0.00 0.00 175.10 174.05 1iim s GLN 83 N -1.61 2.56 0.25 2.72 0.74 0.06 -4.91 119.66 119.49 1iim s GLN 83 Ca 0.36 -1.28 -0.06 0.00 0.05 0.00 0.00 55.36 54.43 1iim s GLN 83 Cb -0.17 -3.52 0.48 0.00 1.10 0.00 0.00 33.01 30.90 1iim s GLN 83 CO 0.20 -0.75 1.63 -1.35 -0.55 0.00 0.00 175.29 174.47 1iim h PRO 84 N 8.23 0.10 -3.32 1.67 0.11 -1.96 -3.38 132.00 133.45 1iim h PRO 84 Ca -0.22 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.75 1iim h PRO 84 Cb 1.08 -0.02 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 1iim h PRO 84 CO 0.64 0.06 -0.41 -1.54 -0.21 0.00 0.00 178.00 176.54 1iim s SER 85 N -5.17 -0.07 -0.42 -2.05 1.04 -1.26 -4.70 113.70 101.07 1iim s SER 85 Ca -0.13 -0.07 -0.25 0.00 0.48 0.00 0.00 55.95 55.97 1iim s SER 85 Cb 0.23 0.26 -0.25 0.00 0.10 0.00 0.00 66.02 66.36 1iim s SER 85 CO 0.76 -0.39 1.77 -0.81 0.98 0.00 0.00 173.24 175.54 1iim n PRO 86 N 1.43 0.83 -0.28 4.02 -0.04 -1.26 -4.67 135.00 135.03 1iim n PRO 86 Ca -0.22 -1.45 0.03 0.00 -0.04 0.00 0.00 63.50 61.83 1iim n PRO 86 Cb 0.56 -2.71 0.14 0.00 -0.04 0.00 0.00 33.50 31.45 1iim n PRO 86 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iim n ASP 87 N 8.02 2.38 0.00 3.54 8.00 -1.26 -4.98 116.55 132.26 1iim n ASP 87 Ca 0.47 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1iim n ASP 87 Cb 0.40 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1iim n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iim n GLY 88 N 0.45 3.62 0.34 0.44 0.00 -1.26 -0.38 105.19 108.40 1iim n GLY 88 Ca 0.10 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1iim n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iim h LEU 89 N 0.00 0.81 -2.47 0.99 3.38 -1.92 -2.32 115.31 113.78 1iim h LEU 89 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1iim h LEU 89 Cb 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1iim h LEU 89 CO 0.00 0.63 -0.03 0.00 0.09 0.00 0.00 178.44 179.13 1iim h ALA 90 N 1.51 1.20 0.00 1.53 0.00 -1.77 -1.24 119.26 120.49 1iim h ALA 90 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1iim h ALA 90 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1iim h ALA 90 CO -0.05 0.03 0.00 0.37 0.00 0.00 0.00 179.25 179.61 1iim h GLN 91 N 0.00 0.00 -0.60 0.00 4.15 -1.62 -2.11 115.11 114.93 1iim h GLN 91 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1iim h GLN 91 Cb 0.12 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1iim h GLN 91 CO 0.00 0.00 0.40 0.00 -1.93 0.00 0.00 178.83 177.30 1iim h ALA 92 N 2.06 1.79 0.00 3.38 0.00 -1.39 -1.18 119.26 123.93 1iim h ALA 92 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iim h ALA 92 Cb 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1iim h ALA 92 CO 0.00 0.12 -0.04 0.74 0.00 0.00 0.00 179.25 180.07 1iim h PHE 93 N 0.60 0.00 0.00 0.00 -1.00 -1.60 -0.25 116.94 114.69 1iim h PHE 93 Ca 0.25 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.95 1iim h PHE 93 Cb 0.24 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1iim h PHE 93 CO -0.00 0.00 -0.47 0.82 -1.61 0.00 0.00 178.31 177.05 1iim h ILE 94 N 0.00 1.32 -0.85 -0.55 2.04 -1.46 -2.84 117.51 115.18 1iim h ILE 94 Ca 0.00 -2.17 0.04 0.00 1.00 0.00 0.00 64.86 63.73 1iim h ILE 94 Cb 0.83 2.68 -0.05 0.00 -0.74 0.00 0.00 36.82 39.53 1iim h ILE 94 CO 0.00 0.45 0.54 0.40 0.00 0.00 0.00 178.15 179.54 1iim h ILE 95 N -1.00 1.13 -0.36 -0.67 2.04 -1.30 -2.37 117.51 114.97 1iim h ILE 95 Ca -0.13 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1iim h ILE 95 Cb 1.04 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1iim h ILE 95 CO -0.08 0.19 0.00 0.61 0.00 0.00 0.00 178.15 178.88 1iim n GLY 96 N -1.33 1.17 0.20 5.37 0.00 -0.11 -4.50 105.19 106.00 1iim n GLY 96 Ca 0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 1iim n GLY 96 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1iim h GLU 97 N 2.18 0.26 0.02 1.61 4.81 -1.16 0.70 114.58 122.99 1iim h GLU 97 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1iim h GLU 97 Cb 0.71 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1iim h GLU 97 CO 0.07 0.17 -0.01 0.93 -0.73 0.00 0.00 179.01 179.44 1iim h GLU 98 N 0.27 -0.03 -0.61 1.92 3.07 -1.83 -1.35 114.58 116.03 1iim h GLU 98 Ca 0.26 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.21 1iim h GLU 98 Cb 0.34 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 1iim h GLU 98 CO -0.32 0.05 0.25 0.35 -1.40 0.00 0.00 179.01 177.95 1iim h PHE 99 N -0.10 0.44 -0.39 4.33 3.57 -1.76 -2.77 116.94 120.26 1iim h PHE 99 Ca -0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1iim h PHE 99 Cb 0.09 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1iim h PHE 99 CO -0.05 0.13 -0.04 0.82 -2.23 0.00 0.00 178.31 176.94 1iim h ILE 100 N 0.45 1.27 0.00 1.41 2.04 -0.70 -3.48 117.51 118.50 1iim h ILE 100 Ca 0.30 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1iim h ILE 100 Cb 0.35 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1iim h ILE 100 CO -0.28 0.36 0.00 0.61 0.00 0.00 0.00 178.15 178.84 1iim n GLY 101 N -0.28 3.64 0.99 5.37 0.00 -0.52 -1.94 105.19 112.45 1iim n GLY 101 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1iim n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iim n HIS 102 N 13.71 0.54 -2.61 1.61 8.25 -1.26 -5.01 115.22 130.45 1iim n HIS 102 Ca 0.00 -0.34 -0.23 0.00 -0.26 0.00 0.00 57.72 56.89 1iim n HIS 102 Cb 0.00 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.14 1iim n HIS 102 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1iim s ASP 103 N -1.18 5.35 0.76 0.41 1.01 -0.82 -4.75 116.67 117.45 1iim s ASP 103 Ca 0.34 0.22 -0.11 0.00 0.71 0.00 0.00 52.55 53.70 1iim s ASP 103 Cb 0.19 -1.15 0.05 0.00 1.01 0.00 0.00 42.92 43.02 1iim s ASP 103 CO 0.26 -1.12 1.09 -1.81 0.21 0.00 0.00 175.17 173.80 1iim s ASP 104 N -4.38 4.84 -0.20 0.27 1.01 -1.26 -3.99 116.67 112.95 1iim s ASP 104 Ca 0.55 1.36 -0.23 0.00 0.71 0.00 0.00 52.55 54.94 1iim s ASP 104 Cb -0.10 -2.14 0.06 0.00 1.01 0.00 0.00 42.92 41.75 1iim s ASP 104 CO 0.40 -1.76 0.63 0.00 0.21 0.00 0.00 175.17 174.66 1iim s ALA 106 N 0.01 3.90 -0.05 0.00 0.00 -0.33 -1.28 121.76 124.02 1iim s ALA 106 Ca -0.02 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1iim s ALA 106 Cb -0.04 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.32 1iim s ALA 106 CO 0.03 0.24 -0.04 -1.17 0.00 0.00 0.00 175.76 174.82 1iim s LEU 107 N -3.94 1.21 -0.02 0.00 2.96 0.84 -0.73 118.68 119.00 1iim s LEU 107 Ca 0.35 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 1iim s LEU 107 Cb -0.09 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.15 1iim s LEU 107 CO 0.30 -0.08 -0.08 0.54 -1.32 0.00 0.00 176.35 175.71 1iim s VAL 108 N 1.10 0.67 0.25 1.68 0.11 -0.25 -0.13 120.40 123.84 1iim s VAL 108 Ca -0.08 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.36 1iim s VAL 108 Cb -0.14 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 1iim s VAL 108 CO -0.01 0.21 1.08 -0.76 -3.33 0.00 0.00 175.10 172.30 1iim s LEU 109 N 0.15 4.55 0.44 2.54 1.43 -0.27 -1.85 118.68 125.66 1iim s LEU 109 Ca -0.02 2.20 0.30 0.00 -1.03 0.00 0.00 54.13 55.57 1iim s LEU 109 Cb -0.07 -3.62 1.55 0.00 0.03 0.00 0.00 46.19 44.08 1iim s LEU 109 CO 0.00 -0.13 1.91 1.23 0.23 0.00 0.00 176.35 179.59 1iim h GLY 110 N 4.16 0.00 -1.87 -3.19 0.00 -0.53 -2.30 103.07 99.34 1iim h GLY 110 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1iim h GLY 110 CO 0.68 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.31 1iim n ASP 111 N -2.57 3.59 -4.73 0.19 5.75 -1.26 -4.26 116.55 113.27 1iim n ASP 111 Ca -0.01 -2.27 -0.38 0.00 -0.01 0.00 0.00 54.79 52.12 1iim n ASP 111 Cb 0.09 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 1iim n ASP 111 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1iim s ASN 112 N -1.15 6.76 -0.24 -1.12 0.02 -0.87 -3.48 114.94 114.87 1iim s ASN 112 Ca 0.35 0.91 -0.01 0.00 -1.02 0.00 0.00 52.86 53.09 1iim s ASN 112 Cb 0.22 -2.31 0.02 0.00 0.02 0.00 0.00 41.25 39.20 1iim s ASN 112 CO 0.19 -0.01 -0.08 -0.63 0.02 0.00 0.00 177.10 176.59 1iim s ILE 113 N 0.56 2.79 -0.07 0.60 1.01 0.57 -3.66 121.20 123.00 1iim s ILE 113 Ca 0.28 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1iim s ILE 113 Cb -0.16 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1iim s ILE 113 CO 0.12 0.26 -0.12 -0.36 0.00 0.00 0.00 174.94 174.84 1iim s PHE 114 N 1.33 2.79 -0.22 3.97 0.40 -1.26 -1.09 117.98 123.90 1iim s PHE 114 Ca 0.01 -0.19 -0.17 0.00 -0.60 0.00 0.00 56.93 55.98 1iim s PHE 114 Cb -0.16 -1.70 0.06 0.00 0.51 0.00 0.00 43.02 41.73 1iim s PHE 114 CO -0.05 0.15 0.56 -0.47 0.70 0.00 0.00 175.22 176.11 1iim s TYR 115 N -0.54 -0.70 0.00 0.36 5.04 -0.41 -5.00 117.35 116.10 1iim s TYR 115 Ca 0.08 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 1iim s TYR 115 Cb -0.12 0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.50 1iim s TYR 115 CO 0.02 -0.35 0.00 0.41 -1.34 0.00 0.00 175.55 174.28 1iim n GLY 116 N 3.37 2.55 3.73 8.97 0.00 -1.26 -0.19 105.19 122.35 1iim n GLY 116 Ca -0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1iim n GLY 116 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iim s HIS 117 N -2.00 3.17 -0.45 1.61 2.46 -1.26 -2.73 115.29 116.08 1iim s HIS 117 Ca 0.00 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.48 1iim s HIS 117 Cb 0.00 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.71 1iim s HIS 117 CO 0.00 -2.55 0.00 -0.25 -2.47 0.00 0.00 174.74 169.47 1iim n ASP 118 N 3.42 -3.94 -0.19 9.88 8.00 -1.26 -4.94 116.55 127.51 1iim n ASP 118 Ca 0.10 0.11 -0.00 0.00 0.71 0.00 0.00 54.79 55.70 1iim n ASP 118 Cb 0.41 -1.82 0.10 0.00 -0.02 0.00 0.00 41.12 39.79 1iim n ASP 118 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1iim h LEU 119 N 0.00 0.06 -0.65 0.64 5.85 -1.92 0.23 115.31 119.52 1iim h LEU 119 Ca -0.09 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1iim h LEU 119 Cb 0.42 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1iim h LEU 119 CO 0.13 0.05 0.34 -0.65 -0.34 0.00 0.00 178.44 177.97 1iim h PRO 120 N 0.29 0.61 -0.41 5.25 0.11 -1.87 -0.65 132.00 135.33 1iim h PRO 120 Ca 0.29 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.40 1iim h PRO 120 Cb 0.41 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.34 1iim h PRO 120 CO -0.35 0.40 0.21 -0.22 -0.21 0.00 0.00 178.00 177.83 1iim h LYS 121 N 0.63 0.41 -0.48 1.05 1.63 -1.64 -0.30 116.57 117.87 1iim h LYS 121 Ca 0.30 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.09 1iim h LYS 121 Cb 0.22 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 1iim h LYS 121 CO -0.20 0.27 0.29 1.25 -3.45 0.00 0.00 179.45 177.61 1iim h LEU 122 N 0.42 0.48 -0.57 5.20 6.46 0.02 -2.94 115.31 124.39 1iim h LEU 122 Ca 0.18 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.78 1iim h LEU 122 Cb 0.08 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 1iim h LEU 122 CO -0.12 0.34 -0.52 0.24 -0.62 0.00 0.00 178.44 177.76 1iim h MET 123 N 0.59 0.52 -0.75 1.25 2.86 -0.69 -3.24 114.93 115.46 1iim h MET 123 Ca 0.19 -0.31 0.13 0.00 -2.06 0.00 0.00 59.70 57.64 1iim h MET 123 Cb -0.00 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.60 1iim h MET 123 CO -0.08 0.92 0.34 1.49 1.06 0.00 0.00 176.91 180.63 1iim h GLU 124 N 0.40 0.50 -0.72 1.72 4.81 -0.88 0.12 114.58 120.54 1iim h GLU 124 Ca 0.01 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1iim h GLU 124 Cb 1.05 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 1iim h GLU 124 CO 0.10 0.33 0.39 0.00 -0.73 0.00 0.00 179.01 179.10 1iim h ALA 125 N 1.51 0.98 -0.36 2.92 0.00 -1.57 0.57 119.26 123.31 1iim h ALA 125 Ca 0.40 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 1iim h ALA 125 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1iim h ALA 125 CO -0.35 0.03 -0.43 0.00 0.00 0.00 0.00 179.25 178.50 1iim h ALA 126 N 1.39 0.53 -0.53 0.00 0.00 -1.29 -2.98 119.26 116.40 1iim h ALA 126 Ca 0.34 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1iim h ALA 126 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1iim h ALA 126 CO -0.22 0.67 0.27 0.28 0.00 0.00 0.00 179.25 180.25 1iim h VAL 127 N 0.74 1.17 -0.04 0.00 2.07 -0.01 -2.77 116.25 117.41 1iim h VAL 127 Ca 0.05 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1iim h VAL 127 Cb 1.04 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1iim h VAL 127 CO 0.10 0.19 0.00 0.59 0.02 0.00 0.00 177.57 178.48 1iim n ASN 128 N -4.39 1.33 -4.68 0.57 3.02 0.11 -1.89 115.26 109.34 1iim n ASN 128 Ca 0.05 -1.48 -0.42 0.00 -0.03 0.00 0.00 54.58 52.70 1iim n ASN 128 Cb 0.11 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 1iim n ASN 128 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1iim s LYS 129 N -1.97 4.24 0.17 3.52 2.20 -1.05 -4.88 119.74 121.97 1iim s LYS 129 Ca 0.38 2.08 -0.14 0.00 -0.36 0.00 0.00 55.97 57.93 1iim s LYS 129 Cb 0.20 -3.68 0.12 0.00 -1.51 0.00 0.00 37.83 32.96 1iim s LYS 129 CO 0.32 -0.68 1.75 0.93 -0.36 0.00 0.00 175.35 177.32 1iim h GLU 130 N 8.32 0.33 -4.05 4.03 3.07 -1.90 -3.46 114.58 120.93 1iim h GLU 130 Ca -0.39 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.24 1iim h GLU 130 Cb 1.18 -0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 28.93 1iim h GLU 130 CO 0.92 0.22 -0.21 -1.54 -1.40 0.00 0.00 179.01 177.00 1iim s SER 131 N -5.39 0.60 0.00 1.42 1.04 -1.26 -4.67 113.70 105.43 1iim s SER 131 Ca -0.13 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1iim s SER 131 Cb 0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1iim s SER 131 CO 0.72 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1iim n GLY 132 N -0.49 -0.97 3.21 7.32 0.00 -1.26 -4.95 105.19 108.04 1iim n GLY 132 Ca 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 1iim n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iim s ALA 133 N -1.41 -0.24 -0.03 4.61 0.00 -0.21 -1.98 121.76 122.50 1iim s ALA 133 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1iim s ALA 133 Cb 0.00 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.62 1iim s ALA 133 CO 0.00 -0.51 -0.06 0.99 0.00 0.00 0.00 175.76 176.18 1iim s THR 134 N -3.83 0.60 0.29 0.00 2.01 -0.23 -0.67 115.64 113.80 1iim s THR 134 Ca 0.05 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 61.88 1iim s THR 134 Cb 0.05 -0.58 -0.06 0.00 0.01 0.00 0.00 72.50 71.92 1iim s THR 134 CO -0.11 0.22 0.01 0.68 -0.69 0.00 0.00 174.62 174.73 1iim s VAL 135 N 0.56 1.29 -0.02 3.82 -7.23 -0.69 -1.56 120.40 116.56 1iim s VAL 135 Ca -0.08 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.12 1iim s VAL 135 Cb -0.11 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1iim s VAL 135 CO 0.00 -0.16 -0.24 -0.36 -0.31 0.00 0.00 175.10 174.03 1iim s PHE 136 N -3.24 2.12 -0.17 2.82 0.40 -1.26 -1.36 117.98 117.30 1iim s PHE 136 Ca 0.33 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1iim s PHE 136 Cb 0.07 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 1iim s PHE 136 CO 0.13 -0.04 0.07 0.00 0.70 0.00 0.00 175.22 176.08 1iim s ALA 137 N -0.54 3.48 -0.04 5.36 0.00 -0.50 -1.10 121.76 128.42 1iim s ALA 137 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1iim s ALA 137 Cb -0.09 -1.90 0.02 0.00 0.00 0.00 0.00 23.12 21.14 1iim s ALA 137 CO -0.01 0.28 -0.04 -0.47 0.00 0.00 0.00 175.76 175.51 1iim s TYR 138 N 0.06 0.68 -0.08 0.00 5.04 -0.07 -0.83 117.35 122.16 1iim s TYR 138 Ca 0.06 -0.17 -0.30 0.00 -2.44 0.00 0.00 57.07 54.22 1iim s TYR 138 Cb -0.12 -0.59 -0.04 0.00 0.35 0.00 0.00 41.96 41.56 1iim s TYR 138 CO 0.01 -0.15 1.42 -1.58 -1.34 0.00 0.00 175.55 173.91 1iim s HIS 139 N 0.73 2.59 0.28 4.97 5.65 -1.26 -0.68 115.29 127.58 1iim s HIS 139 Ca -0.10 0.70 0.08 0.00 0.25 0.00 0.00 55.06 55.99 1iim s HIS 139 Cb -0.13 -3.68 -0.06 0.00 -1.18 0.00 0.00 32.58 27.54 1iim s HIS 139 CO 0.00 -2.58 -0.08 0.14 -0.65 0.00 0.00 174.74 171.57 1iim s VAL 140 N 3.29 1.83 0.23 0.89 -7.23 0.11 -4.95 120.40 114.57 1iim s VAL 140 Ca 0.63 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1iim s VAL 140 Cb -0.28 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1iim s VAL 140 CO 0.23 -0.32 1.57 -1.13 -0.31 0.00 0.00 175.10 175.14 1iim h ASN 141 N 2.26 0.48 -3.00 4.85 -0.00 -1.95 -3.39 115.58 114.83 1iim h ASN 141 Ca -0.40 -0.24 -0.59 0.00 -0.00 0.00 0.00 56.30 55.07 1iim h ASN 141 Cb 1.24 -0.14 -0.39 0.00 -0.00 0.00 0.00 38.32 39.03 1iim h ASN 141 CO 0.67 0.90 -0.80 1.51 -0.00 0.00 0.00 177.43 179.71 1iim s ASP 142 N -6.89 3.27 0.35 1.15 -4.77 -1.26 -4.98 116.67 103.54 1iim s ASP 142 Ca -0.06 -2.38 0.08 0.00 -3.30 0.00 0.00 52.55 46.89 1iim s ASP 142 Cb 0.12 -0.68 0.79 0.00 -1.09 0.00 0.00 42.92 42.05 1iim s ASP 142 CO 0.82 -0.29 1.86 -0.65 0.70 0.00 0.00 175.17 177.61 1iim h PRO 143 N 6.89 0.71 -1.07 2.11 0.11 -1.85 -3.13 132.00 135.77 1iim h PRO 143 Ca 0.03 -0.04 0.31 0.00 0.11 0.00 0.00 66.00 66.41 1iim h PRO 143 Cb 0.95 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.86 1iim h PRO 143 CO 0.36 0.47 0.89 0.93 -0.21 0.00 0.00 178.00 180.43 1iim h GLU 144 N 0.73 0.00 -0.00 1.05 3.07 -1.92 0.12 114.58 117.63 1iim h GLU 144 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1iim h GLU 144 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1iim h GLU 144 CO -0.22 0.00 -0.06 0.54 -1.40 0.00 0.00 179.01 177.87 1iim n ARG 145 N -3.89 0.12 -2.82 2.33 1.74 -1.18 -4.16 116.66 108.80 1iim n ARG 145 Ca 0.23 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.21 1iim n ARG 145 Cb 1.24 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 31.16 1iim n ARG 145 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1iim n TYR 146 N -1.43 0.16 -2.64 -1.55 4.02 0.03 -4.76 117.16 110.99 1iim n TYR 146 Ca 0.09 -0.85 -0.42 0.00 -0.01 0.00 0.00 57.90 56.71 1iim n TYR 146 Cb 0.32 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 1iim n TYR 146 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1iim s GLY 147 N -1.85 2.79 -0.12 2.72 0.00 -1.26 -0.39 107.32 109.22 1iim s GLY 147 Ca 0.05 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.39 1iim s GLY 147 CO 0.03 1.76 -0.14 0.14 0.00 0.00 0.00 173.10 174.90 1iim s VAL 148 N 0.98 3.01 -0.20 1.40 1.01 0.93 -0.97 120.40 126.55 1iim s VAL 148 Ca 0.53 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1iim s VAL 148 Cb -0.23 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1iim s VAL 148 CO 0.28 0.54 0.13 0.54 0.00 0.00 0.00 175.10 176.59 1iim s VAL 149 N 0.19 5.38 -0.07 2.92 0.11 -0.83 -1.45 120.40 126.66 1iim s VAL 149 Ca -0.08 0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 59.02 1iim s VAL 149 Cb -0.15 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1iim s VAL 149 CO 0.05 0.43 0.32 -0.70 -3.33 0.00 0.00 175.10 171.88 1iim s GLU 150 N 0.42 3.90 0.20 1.54 2.12 -0.18 -4.51 118.70 122.19 1iim s GLU 150 Ca 0.08 0.22 0.11 0.00 0.36 0.00 0.00 54.97 55.74 1iim s GLU 150 Cb -0.11 -3.27 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1iim s GLU 150 CO -0.01 0.59 -0.22 -0.06 -0.54 0.00 0.00 175.26 175.02 1iim s PHE 151 N -0.64 2.34 0.64 5.30 0.40 -1.26 -0.16 117.98 124.60 1iim s PHE 151 Ca 0.20 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1iim s PHE 151 Cb -0.15 -1.14 0.13 0.00 0.51 0.00 0.00 43.02 42.38 1iim s PHE 151 CO 0.09 0.53 0.87 -0.40 0.70 0.00 0.00 175.22 177.02 1iim n ASP 152 N 0.11 0.75 0.28 1.36 5.68 0.26 -4.89 116.55 120.10 1iim n ASP 152 Ca -0.11 -1.73 0.15 0.00 -0.50 0.00 0.00 54.79 52.59 1iim n ASP 152 Cb 0.56 -0.61 0.83 0.00 -1.14 0.00 0.00 41.12 40.77 1iim n ASP 152 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1iim h GLN 153 N 0.00 0.00 0.00 0.11 7.50 -2.01 -1.18 115.11 119.53 1iim h GLN 153 Ca -0.29 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.86 1iim h GLN 153 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.49 1iim h GLN 153 CO 0.27 0.07 -0.11 1.63 -1.50 0.00 0.00 178.83 179.18 1iim n LYS 154 N -3.61 0.05 -0.15 1.46 5.02 -1.26 -4.91 118.16 114.76 1iim n LYS 154 Ca -0.02 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1iim n LYS 154 Cb 0.18 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1iim n LYS 154 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iim n GLY 155 N 1.46 0.87 3.75 0.72 0.00 -0.44 -5.07 105.19 106.48 1iim n GLY 155 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1iim n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iim s THR 156 N -2.05 4.78 -0.02 2.61 2.01 -1.26 -4.77 115.64 116.94 1iim s THR 156 Ca 0.00 1.49 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 1iim s THR 156 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1iim s THR 156 CO 0.00 0.39 1.28 0.00 -0.69 0.00 0.00 174.62 175.60 1iim s ALA 157 N -0.15 3.52 -0.08 7.40 0.00 -1.26 -0.57 121.76 130.61 1iim s ALA 157 Ca 0.36 0.74 0.03 0.00 0.00 0.00 0.00 51.96 53.09 1iim s ALA 157 Cb -0.20 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1iim s ALA 157 CO 0.21 -0.80 0.11 1.33 0.00 0.00 0.00 175.76 176.61 1iim n VAL 158 N 4.58 0.00 -3.50 0.00 0.24 0.78 -4.94 118.33 115.49 1iim n VAL 158 Ca 0.12 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 1iim n VAL 158 Cb 0.45 0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 33.51 1iim n VAL 158 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1iim s SER 159 N -1.86 -0.45 -0.00 -1.34 1.04 -1.21 -5.01 113.70 104.87 1iim s SER 159 Ca 0.00 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1iim s SER 159 Cb 0.02 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1iim s SER 159 CO 0.14 -0.86 -0.09 -0.76 0.98 0.00 0.00 173.24 172.66 1iim s LEU 160 N -2.67 2.04 -0.02 2.42 1.43 -1.26 -1.01 118.68 119.61 1iim s LEU 160 Ca 0.04 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1iim s LEU 160 Cb -0.01 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.80 1iim s LEU 160 CO -0.09 0.08 -0.04 -1.61 0.23 0.00 0.00 176.35 174.92 1iim s GLU 161 N -0.33 0.48 -0.20 1.70 2.02 -0.53 -4.94 118.70 116.91 1iim s GLU 161 Ca 0.02 -0.10 -0.28 0.00 0.02 0.00 0.00 54.97 54.64 1iim s GLU 161 Cb -0.04 -0.52 -0.00 0.00 0.10 0.00 0.00 34.13 33.67 1iim s GLU 161 CO -0.00 0.01 0.95 -2.00 0.02 0.00 0.00 175.26 174.24 1iim s GLU 162 N 0.39 4.28 -1.24 1.61 2.56 -1.26 -0.05 118.70 124.99 1iim s GLU 162 Ca -0.04 1.22 -0.31 0.00 0.00 0.00 0.00 54.97 55.84 1iim s GLU 162 Cb -0.08 -3.61 0.04 0.00 2.00 0.00 0.00 34.13 32.48 1iim s GLU 162 CO -0.00 -0.49 0.63 1.63 -0.56 0.00 0.00 175.26 176.47 1iim n LYS 163 N 5.82 -0.42 -1.83 4.30 5.02 0.48 -4.88 118.16 126.66 1iim n LYS 163 Ca 0.09 0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 56.13 1iim n LYS 163 Cb 0.47 -2.76 0.05 0.00 -0.02 0.00 0.00 35.03 32.77 1iim n LYS 163 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1iim s PRO 164 N -7.32 2.72 0.12 1.97 0.04 -1.26 -4.92 135.00 126.36 1iim s PRO 164 Ca 0.45 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 1iim s PRO 164 Cb -0.24 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1iim s PRO 164 CO 0.97 -1.40 1.45 1.25 0.04 0.00 0.00 177.00 179.31 1iim h LEU 165 N 0.51 0.85 -7.37 -3.56 7.12 -1.92 -3.37 115.31 107.58 1iim h LEU 165 Ca -0.50 -0.46 -0.64 0.00 0.13 0.00 0.00 57.88 56.42 1iim h LEU 165 Cb 1.30 -0.24 -0.41 0.00 -0.53 0.00 0.00 40.66 40.78 1iim h LEU 165 CO 0.54 1.14 -0.66 -1.10 -0.13 0.00 0.00 178.44 178.23 1iim s GLN 166 N -4.41 1.81 0.29 1.25 1.11 -1.26 -5.02 119.66 113.43 1iim s GLN 166 Ca -0.12 -2.43 -0.30 0.00 0.01 0.00 0.00 55.36 52.52 1iim s GLN 166 Cb 0.10 -3.16 -0.12 0.00 -1.01 0.00 0.00 33.01 28.82 1iim s GLN 166 CO 0.85 -1.09 1.47 -2.30 0.01 0.00 0.00 175.29 174.23 1iim n PRO 167 N 3.33 2.36 0.00 2.91 -0.02 -1.26 -4.87 135.00 137.44 1iim n PRO 167 Ca 0.05 0.84 0.14 0.00 -2.02 0.00 0.00 63.50 62.51 1iim n PRO 167 Cb 0.34 -2.54 0.64 0.00 -0.02 0.00 0.00 33.50 31.92 1iim n PRO 167 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1iim n LYS 168 N 1.73 0.51 -3.83 -0.52 5.02 -1.26 -4.90 118.16 114.92 1iim n LYS 168 Ca 0.09 -0.12 -0.06 0.00 -2.02 0.00 0.00 58.31 56.19 1iim n LYS 168 Cb 0.35 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1iim n LYS 168 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1iim s SER 169 N -2.57 -0.06 -0.09 4.39 1.04 -1.26 -4.82 113.70 110.33 1iim s SER 169 Ca 0.27 -0.85 0.18 0.00 0.48 0.00 0.00 55.95 56.03 1iim s SER 169 Cb 0.20 0.69 0.66 0.00 0.10 0.00 0.00 66.02 67.67 1iim s SER 169 CO 0.49 -1.35 1.57 0.59 0.98 0.00 0.00 173.24 175.51 1iim n ASN 170 N -1.10 4.42 -4.59 7.02 3.02 -1.26 -4.80 115.26 117.96 1iim n ASN 170 Ca -0.06 -2.37 -0.40 0.00 -0.03 0.00 0.00 54.58 51.72 1iim n ASN 170 Cb 0.60 -0.53 -0.08 0.00 -0.61 0.00 0.00 39.78 39.16 1iim n ASN 170 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1iim s TYR 171 N -1.69 3.22 0.16 3.10 1.51 -1.26 -0.71 117.35 121.68 1iim s TYR 171 Ca 0.48 0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.94 1iim s TYR 171 Cb 0.30 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 1iim s TYR 171 CO 0.24 -0.38 0.29 0.00 -1.11 0.00 0.00 175.55 174.59 1iim s ALA 172 N 2.29 3.96 -0.14 3.71 0.00 0.15 -1.96 121.76 129.76 1iim s ALA 172 Ca 0.19 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 1iim s ALA 172 Cb -0.16 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 1iim s ALA 172 CO 0.11 0.52 0.66 0.08 0.00 0.00 0.00 175.76 177.12 1iim s VAL 173 N -1.76 5.03 1.13 0.00 1.01 -0.15 -0.89 120.40 124.78 1iim s VAL 173 Ca 0.34 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 1iim s VAL 173 Cb -0.11 -3.98 0.26 0.00 0.00 0.00 0.00 36.38 32.55 1iim s VAL 173 CO 0.28 0.17 1.14 0.42 0.00 0.00 0.00 175.10 177.11 1iim s THR 174 N 1.45 1.72 -0.48 3.92 -4.23 -0.25 -4.66 115.64 113.09 1iim s THR 174 Ca 0.32 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1iim s THR 174 Cb -0.16 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.47 1iim s THR 174 CO 0.13 0.00 1.23 0.61 -0.54 0.00 0.00 174.62 176.05 1iim n GLY 175 N -1.43 2.57 3.07 3.99 0.00 -1.26 -4.77 105.19 107.36 1iim n GLY 175 Ca 0.12 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1iim n GLY 175 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iim s LEU 176 N -1.43 2.19 0.04 0.99 2.96 -1.26 -1.12 118.68 121.05 1iim s LEU 176 Ca 0.27 -0.73 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1iim s LEU 176 Cb 0.21 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 1iim s LEU 176 CO 0.07 -0.06 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.60 1iim s TYR 177 N 1.34 1.13 -0.16 5.38 1.51 0.82 -4.24 117.35 123.13 1iim s TYR 177 Ca 0.02 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1iim s TYR 177 Cb -0.14 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1iim s TYR 177 CO -0.11 0.02 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.14 1iim s PHE 178 N -0.88 2.34 0.22 2.71 0.40 -0.60 -0.11 117.98 122.06 1iim s PHE 178 Ca 0.00 -1.36 0.11 0.00 -0.60 0.00 0.00 56.93 55.08 1iim s PHE 178 Cb -0.08 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 1iim s PHE 178 CO 0.01 -0.71 -0.21 0.71 0.70 0.00 0.00 175.22 175.72 1iim s TYR 179 N 1.43 2.17 0.43 0.36 1.51 -0.40 -1.07 117.35 121.77 1iim s TYR 179 Ca 0.04 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1iim s TYR 179 Cb -0.13 -1.01 0.09 0.00 -0.11 0.00 0.00 41.96 40.79 1iim s TYR 179 CO -0.11 0.55 0.59 -0.40 -1.11 0.00 0.00 175.55 175.06 1iim n ASP 180 N -0.14 0.63 0.26 2.29 5.68 -0.84 -1.35 116.55 123.09 1iim n ASP 180 Ca -0.09 -1.57 0.14 0.00 -0.50 0.00 0.00 54.79 52.77 1iim n ASP 180 Cb 0.58 -0.39 0.69 0.00 -1.14 0.00 0.00 41.12 40.86 1iim n ASP 180 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1iim h ASN 181 N -0.44 0.00 0.16 -1.12 -0.73 -1.86 -3.18 115.58 108.41 1iim h ASN 181 Ca -0.19 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.98 1iim h ASN 181 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.26 1iim h ASN 181 CO 0.19 0.12 0.00 -1.54 -0.37 0.00 0.00 177.43 175.83 1iim n SER 182 N -3.44 0.00 0.12 1.15 3.41 -1.26 -2.73 113.62 110.87 1iim n SER 182 Ca -0.01 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1iim n SER 182 Cb 0.29 -0.43 0.29 0.00 -0.26 0.00 0.00 64.21 64.10 1iim n SER 182 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1iim h VAL 183 N 0.00 1.27 -0.33 -3.33 3.04 -1.94 -2.77 116.25 112.19 1iim h VAL 183 Ca 0.00 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.39 1iim h VAL 183 Cb 0.08 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 1iim h VAL 183 CO 0.00 0.39 0.19 0.58 -1.01 0.00 0.00 177.57 177.71 1iim h VAL 184 N 0.16 1.12 -0.38 1.51 2.07 -1.80 -0.05 116.25 118.88 1iim h VAL 184 Ca 0.02 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1iim h VAL 184 Cb 0.68 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1iim h VAL 184 CO 0.05 0.12 -0.05 -0.08 0.02 0.00 0.00 177.57 177.63 1iim h GLU 185 N 0.41 0.62 -0.19 1.57 4.57 -1.74 -2.15 114.58 117.68 1iim h GLU 185 Ca 0.12 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1iim h GLU 185 Cb 0.03 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1iim h GLU 185 CO -0.02 0.68 0.06 0.52 -1.18 0.00 0.00 179.01 179.06 1iim h MET 186 N 0.58 0.29 -0.95 1.92 2.86 -1.14 -2.90 114.93 115.60 1iim h MET 186 Ca 0.11 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1iim h MET 186 Cb 0.44 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 1iim h MET 186 CO 0.02 0.40 0.57 0.00 1.06 0.00 0.00 176.91 178.97 1iim h ALA 187 N 0.87 1.21 0.00 6.32 0.00 -0.85 -2.27 119.26 124.54 1iim h ALA 187 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1iim h ALA 187 Cb 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1iim h ALA 187 CO -0.00 0.67 -0.12 0.87 0.00 0.00 0.00 179.25 180.66 1iim h LYS 188 N 1.31 0.00 -0.03 0.00 1.57 -1.30 -2.75 116.57 115.37 1iim h LYS 188 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1iim h LYS 188 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1iim h LYS 188 CO -0.06 0.12 -0.04 0.09 -0.57 0.00 0.00 179.45 178.99 1iim n ASN 189 N -4.05 2.76 -4.78 0.86 3.02 -0.90 -4.96 115.26 107.21 1iim n ASN 189 Ca -0.02 -1.90 -0.35 0.00 -0.03 0.00 0.00 54.58 52.27 1iim n ASN 189 Cb 0.21 0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1iim n ASN 189 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1iim s LEU 190 N -2.04 3.82 0.00 3.41 1.43 -0.96 -5.04 118.68 119.30 1iim s LEU 190 Ca 0.28 2.16 0.06 0.00 -1.03 0.00 0.00 54.13 55.59 1iim s LEU 190 Cb 0.20 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1iim s LEU 190 CO 0.33 -1.07 -0.16 -0.54 0.23 0.00 0.00 176.35 175.13 1iim s LYS 191 N -3.14 2.26 0.56 1.70 1.02 -1.26 -5.06 119.74 115.81 1iim s LYS 191 Ca 0.70 -0.86 -0.20 0.00 0.02 0.00 0.00 55.97 55.63 1iim s LYS 191 Cb -0.23 -2.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.75 1iim s LYS 191 CO 0.27 0.57 0.97 -2.30 -0.92 0.00 0.00 175.35 173.94 1iim n PRO 192 N 1.86 1.01 -2.25 -1.68 -0.02 -1.26 -4.81 135.00 127.85 1iim n PRO 192 Ca -0.16 0.38 -0.27 0.00 -2.02 0.00 0.00 63.50 61.43 1iim n PRO 192 Cb 0.52 -2.14 0.16 0.00 -0.02 0.00 0.00 33.50 32.02 1iim n PRO 192 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1iim s SER 193 N -1.13 3.56 0.40 2.55 1.04 -0.79 -4.83 113.70 114.51 1iim s SER 193 Ca 0.73 -0.10 0.17 0.00 0.48 0.00 0.00 55.95 57.23 1iim s SER 193 Cb -0.44 -0.04 1.07 0.00 0.10 0.00 0.00 66.02 66.71 1iim s SER 193 CO 0.49 -2.41 1.82 0.00 0.98 0.00 0.00 173.24 174.12 1iim h ALA 194 N -1.18 2.19 -0.13 5.32 0.00 -1.95 0.65 119.26 124.17 1iim h ALA 194 Ca -0.40 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1iim h ALA 194 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1iim h ALA 194 CO 0.36 -0.52 0.00 2.89 0.00 0.00 0.00 179.25 181.98 1iim n ARG 195 N -4.56 1.35 -3.05 0.00 1.85 -1.26 -4.91 116.66 106.08 1iim n ARG 195 Ca 0.22 -0.48 -0.18 0.00 -1.00 0.00 0.00 57.85 56.41 1iim n ARG 195 Cb 0.76 -1.17 0.04 0.00 -1.05 0.00 0.00 32.46 31.04 1iim n ARG 195 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1iim n GLY 196 N 0.63 -0.23 3.16 2.89 0.00 0.23 -5.04 105.19 106.83 1iim n GLY 196 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1iim n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iim s GLU 197 N -5.67 0.79 -0.50 1.61 2.02 -1.26 -4.82 118.70 110.86 1iim s GLU 197 Ca 0.32 -0.96 -0.25 0.00 0.02 0.00 0.00 54.97 54.11 1iim s GLU 197 Cb -0.14 -0.72 0.03 0.00 0.10 0.00 0.00 34.13 33.40 1iim s GLU 197 CO 0.40 0.15 0.94 -0.51 0.02 0.00 0.00 175.26 176.27 1iim s LEU 198 N -1.82 4.01 -0.10 1.80 1.43 0.49 -1.88 118.68 122.61 1iim s LEU 198 Ca -0.02 -0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1iim s LEU 198 Cb -0.09 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.06 1iim s LEU 198 CO 0.02 -1.14 1.11 -1.61 0.23 0.00 0.00 176.35 174.96 1iim s GLU 199 N 3.89 4.36 0.41 1.70 0.41 -1.26 -2.51 118.70 125.69 1iim s GLU 199 Ca 0.35 1.53 0.21 0.00 -0.41 0.00 0.00 54.97 56.65 1iim s GLU 199 Cb -0.11 -3.57 0.80 0.00 -1.78 0.00 0.00 34.13 29.47 1iim s GLU 199 CO 0.24 -0.43 1.78 0.97 -0.49 0.00 0.00 175.26 177.33 1iim h ILE 200 N 5.12 0.76 -0.16 -1.63 2.10 -1.94 -2.36 117.51 119.40 1iim h ILE 200 Ca -0.31 -1.32 -0.03 0.00 1.08 0.00 0.00 64.86 64.29 1iim h ILE 200 Cb 1.14 1.83 -0.01 0.00 -1.09 0.00 0.00 36.82 38.70 1iim h ILE 200 CO 0.89 0.30 -0.03 0.74 -1.08 0.00 0.00 178.15 178.97 1iim h THR 201 N 0.00 1.12 -0.10 2.19 2.02 -1.99 0.04 112.91 116.19 1iim h THR 201 Ca -0.00 -0.48 -0.12 0.00 0.77 0.00 0.00 66.41 66.57 1iim h THR 201 Cb 0.81 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1iim h THR 201 CO 0.04 0.16 -0.48 0.44 0.37 0.00 0.00 175.52 176.05 1iim h ASP 202 N 0.22 0.27 0.52 4.18 3.32 -1.83 -0.88 116.42 122.22 1iim h ASP 202 Ca 0.05 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1iim h ASP 202 Cb 0.20 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1iim h ASP 202 CO 0.01 0.71 -0.25 0.40 -1.72 0.00 0.00 179.24 178.39 1iim h ILE 203 N 0.20 0.48 -0.65 0.35 1.08 -1.01 -2.16 117.51 115.81 1iim h ILE 203 Ca 0.01 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 1iim h ILE 203 Cb 0.92 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 1iim h ILE 203 CO 0.07 0.01 0.43 0.78 -0.69 0.00 0.00 178.15 178.75 1iim h ASN 204 N -0.73 0.60 -0.55 1.72 2.35 -0.98 -1.22 115.58 116.77 1iim h ASN 204 Ca -0.07 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1iim h ASN 204 Cb 0.55 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 1iim h ASN 204 CO 0.12 0.40 0.13 0.03 -1.65 0.00 0.00 177.43 176.46 1iim h ARG 205 N 0.69 0.93 -0.16 0.81 3.08 -0.96 -0.91 114.38 117.86 1iim h ARG 205 Ca 0.27 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1iim h ARG 205 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1iim h ARG 205 CO -0.08 0.84 0.07 0.82 -1.07 0.00 0.00 179.97 180.55 1iim h ILE 206 N 0.88 1.14 -0.50 2.04 2.04 -0.57 0.83 117.51 123.37 1iim h ILE 206 Ca 0.19 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1iim h ILE 206 Cb 0.34 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1iim h ILE 206 CO 0.00 0.13 0.33 1.88 0.00 0.00 0.00 178.15 180.49 1iim h TYR 207 N 0.12 0.62 -0.12 1.37 -1.99 -1.17 -1.74 116.97 114.06 1iim h TYR 207 Ca 0.05 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.83 1iim h TYR 207 Cb 0.14 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 1iim h TYR 207 CO -0.02 0.39 -0.05 1.98 -0.00 0.00 0.00 178.16 180.47 1iim h MET 208 N 0.67 -0.02 0.00 4.88 4.05 -0.82 -0.09 114.93 123.59 1iim h MET 208 Ca 0.18 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1iim h MET 208 Cb -0.08 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1iim h MET 208 CO -0.04 -0.02 -0.03 0.93 0.23 0.00 0.00 176.91 177.99 1iim h GLU 209 N -0.03 0.00 -0.23 0.39 5.08 -0.55 0.27 114.58 119.51 1iim h GLU 209 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iim h GLU 209 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1iim h GLU 209 CO -0.14 0.03 0.00 1.04 -1.00 0.00 0.00 179.01 178.94 1iim n GLN 210 N -3.72 1.88 -2.42 2.33 6.02 -0.68 -4.92 117.38 115.88 1iim n GLN 210 Ca -0.03 -1.34 -0.18 0.00 -0.01 0.00 0.00 57.00 55.45 1iim n GLN 210 Cb 0.12 -1.40 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 1iim n GLN 210 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1iim n GLY 211 N 1.19 -0.37 0.20 1.08 0.00 0.94 -4.89 105.19 103.34 1iim n GLY 211 Ca 0.16 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1iim n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iim n ARG 212 N -2.85 2.05 -4.06 1.61 1.74 -0.13 -5.00 116.66 110.01 1iim n ARG 212 Ca -0.20 -2.30 -0.35 0.00 -0.77 0.00 0.00 57.85 54.23 1iim n ARG 212 Cb 0.65 -1.40 -0.13 0.00 -1.02 0.00 0.00 32.46 30.56 1iim n ARG 212 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1iim s LEU 213 N -2.27 3.16 -0.34 0.55 2.96 -1.21 -1.04 118.68 120.49 1iim s LEU 213 Ca 0.25 -0.25 -0.13 0.00 -0.22 0.00 0.00 54.13 53.78 1iim s LEU 213 Cb 0.21 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1iim s LEU 213 CO 0.04 0.05 0.24 -0.44 -1.32 0.00 0.00 176.35 174.91 1iim s SER 214 N 1.09 6.06 -0.64 3.68 0.01 0.15 -4.89 113.70 119.15 1iim s SER 214 Ca 0.02 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 56.72 1iim s SER 214 Cb -0.14 -2.14 0.14 0.00 0.21 0.00 0.00 66.02 64.09 1iim s SER 214 CO 0.01 -0.22 0.66 -0.69 0.41 0.00 0.00 173.24 173.41 1iim s VAL 215 N 1.72 5.13 0.04 3.43 1.01 -1.26 -1.71 120.40 128.77 1iim s VAL 215 Ca 0.06 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.25 1iim s VAL 215 Cb -0.17 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1iim s VAL 215 CO 0.11 -1.03 0.79 0.00 0.00 0.00 0.00 175.10 174.96 1iim s ALA 216 N 1.73 3.35 0.11 5.51 0.00 -0.46 -4.87 121.76 127.12 1iim s ALA 216 Ca 0.11 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 1iim s ALA 216 Cb -0.22 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 1iim s ALA 216 CO 0.01 0.04 0.98 -1.64 0.00 0.00 0.00 175.76 175.14 1iim s MET 217 N 0.04 4.68 -0.40 0.00 -1.94 -1.26 -1.41 119.30 119.01 1iim s MET 217 Ca 0.40 1.48 -0.05 0.00 -1.71 0.00 0.00 55.69 55.80 1iim s MET 217 Cb -0.21 -3.37 0.09 0.00 2.01 0.00 0.00 34.83 33.35 1iim s MET 217 CO 0.23 0.18 0.20 1.41 -0.01 0.00 0.00 175.02 177.04 1iim s MET 218 N 0.02 2.31 1.07 2.03 0.00 -0.01 -4.87 119.30 119.85 1iim s MET 218 Ca 0.47 -1.60 -0.12 0.00 0.00 0.00 0.00 55.69 54.44 1iim s MET 218 Cb -0.24 -3.60 0.22 0.00 0.00 0.00 0.00 34.83 31.20 1iim s MET 218 CO 0.30 -0.96 1.00 0.41 0.00 0.00 0.00 175.02 175.77 1iim n GLY 219 N 4.73 -1.39 0.26 2.11 0.00 -1.26 -4.47 105.19 105.16 1iim n GLY 219 Ca -0.07 -0.96 0.18 0.00 0.00 0.00 0.00 46.02 45.16 1iim n GLY 219 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1iim h ARG 220 N -2.32 0.00 0.00 1.61 0.11 -1.97 -1.42 114.38 110.39 1iim h ARG 220 Ca -0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.55 1iim h ARG 220 Cb 1.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.39 1iim h ARG 220 CO 0.45 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.93 1iim n GLY 221 N -0.59 -1.11 3.95 0.08 0.00 -1.26 -4.70 105.19 101.57 1iim n GLY 221 Ca -0.01 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1iim n GLY 221 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iim s TYR 222 N -3.05 3.47 -0.17 1.61 1.51 -0.54 -4.68 117.35 115.51 1iim s TYR 222 Ca 0.07 0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.18 1iim s TYR 222 Cb 0.11 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1iim s TYR 222 CO 0.32 0.48 -0.08 0.00 -1.11 0.00 0.00 175.55 175.16 1iim s ALA 223 N -1.84 2.76 -0.20 3.71 0.00 0.73 -4.97 121.76 121.94 1iim s ALA 223 Ca 0.34 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 1iim s ALA 223 Cb -0.10 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 21.60 1iim s ALA 223 CO 0.29 -0.04 -0.05 -0.46 0.00 0.00 0.00 175.76 175.49 1iim s TRP 224 N 0.82 2.03 0.12 0.00 -0.00 -1.26 -1.29 118.94 119.36 1iim s TRP 224 Ca -0.03 -1.41 0.08 0.00 -0.00 0.00 0.00 56.10 54.74 1iim s TRP 224 Cb -0.15 -1.45 -0.04 0.00 -0.00 0.00 0.00 33.47 31.84 1iim s TRP 224 CO 0.01 -0.70 -0.21 -0.51 -0.00 0.00 0.00 176.95 175.54 1iim s LEU 225 N 1.52 2.33 0.07 5.86 1.43 -0.25 -4.99 118.68 124.65 1iim s LEU 225 Ca -0.02 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1iim s LEU 225 Cb -0.17 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1iim s LEU 225 CO -0.07 0.05 -0.09 1.51 0.23 0.00 0.00 176.35 177.97 1iim s ASP 226 N -2.07 1.19 -1.03 2.29 1.47 -1.26 -0.31 116.67 116.95 1iim s ASP 226 Ca 0.09 -0.69 -0.03 0.00 1.18 0.00 0.00 52.55 53.10 1iim s ASP 226 Cb -0.09 0.02 0.30 0.00 -0.34 0.00 0.00 42.92 42.81 1iim s ASP 226 CO 0.05 -0.23 1.38 0.35 0.68 0.00 0.00 175.17 177.39 1iim n THR 227 N 0.99 4.94 -0.04 2.11 -2.24 -1.23 -4.71 114.28 114.10 1iim n THR 227 Ca -0.19 -5.83 -0.17 0.00 -2.27 0.00 0.00 64.05 55.59 1iim n THR 227 Cb 0.56 -2.10 -0.07 0.00 -2.10 0.00 0.00 70.33 66.62 1iim n THR 227 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1iim h GLY 228 N 5.34 0.85 -1.84 3.38 0.00 -1.92 -3.45 103.07 105.43 1iim h GLY 228 Ca 0.20 -1.15 -0.61 0.00 0.00 0.00 0.00 47.33 45.78 1iim h GLY 228 CO 1.26 1.02 -0.64 -0.51 0.00 0.00 0.00 176.54 177.67 1iim s THR 229 N -3.84 2.02 0.30 4.70 -4.23 -1.26 -4.46 115.64 108.86 1iim s THR 229 Ca -0.11 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 1iim s THR 229 Cb 0.08 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.38 1iim s THR 229 CO 0.89 -0.10 1.96 0.45 -0.54 0.00 0.00 174.62 177.27 1iim h HIS 230 N 1.93 1.05 0.12 3.99 3.86 -1.90 -0.99 115.15 123.21 1iim h HIS 230 Ca -0.43 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.80 1iim h HIS 230 Cb 1.24 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1iim h HIS 230 CO 0.73 0.64 -0.06 1.96 0.86 0.00 0.00 177.93 182.07 1iim h GLN 231 N 1.12 -0.16 -0.13 2.45 7.50 -1.99 -2.52 115.11 121.38 1iim h GLN 231 Ca 0.32 0.01 -0.06 0.00 0.50 0.00 0.00 58.65 59.42 1iim h GLN 231 Cb -0.07 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.48 1iim h GLN 231 CO -0.08 0.04 -0.21 0.66 -1.50 0.00 0.00 178.83 177.74 1iim h SER 232 N -0.34 0.20 -0.40 1.46 4.64 -1.83 -2.07 113.55 115.21 1iim h SER 232 Ca -0.02 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1iim h SER 232 Cb 0.28 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1iim h SER 232 CO 0.03 0.43 0.20 0.25 -0.87 0.00 0.00 176.83 176.87 1iim h LEU 233 N 0.20 0.52 -0.70 5.97 6.46 -1.05 -0.41 115.31 126.29 1iim h LEU 233 Ca 0.03 -0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.54 1iim h LEU 233 Cb 0.49 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1iim h LEU 233 CO 0.03 0.49 -0.60 -0.29 -0.62 0.00 0.00 178.44 177.45 1iim h ILE 234 N 0.51 1.40 -0.40 4.05 2.10 -1.17 -2.34 117.51 121.67 1iim h ILE 234 Ca 0.14 -2.01 -0.09 0.00 1.08 0.00 0.00 64.86 63.99 1iim h ILE 234 Cb 0.10 2.04 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 1iim h ILE 234 CO -0.02 0.59 -0.09 -0.33 -1.08 0.00 0.00 178.15 177.21 1iim h GLU 235 N 0.12 0.77 -0.64 2.19 5.08 -1.07 -0.95 114.58 120.08 1iim h GLU 235 Ca -0.01 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1iim h GLU 235 Cb 1.09 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1iim h GLU 235 CO 0.09 0.90 0.41 0.00 -1.00 0.00 0.00 179.01 179.41 1iim h ALA 236 N 0.84 0.82 -0.63 3.43 0.00 -0.98 0.17 119.26 122.91 1iim h ALA 236 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1iim h ALA 236 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1iim h ALA 236 CO 0.04 0.19 0.11 0.77 0.00 0.00 0.00 179.25 180.36 1iim h SER 237 N 0.82 0.98 -0.47 0.00 0.02 -1.17 -1.46 113.55 112.28 1iim h SER 237 Ca 0.24 -0.22 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1iim h SER 237 Cb -0.04 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1iim h SER 237 CO -0.08 0.98 -0.10 0.78 -1.14 0.00 0.00 176.83 177.27 1iim h ASN 238 N 0.97 0.93 0.27 3.07 2.35 -0.61 -0.89 115.58 121.68 1iim h ASN 238 Ca 0.20 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1iim h ASN 238 Cb 0.41 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1iim h ASN 238 CO 0.01 1.04 -0.23 0.15 -1.65 0.00 0.00 177.43 176.75 1iim h PHE 239 N 0.84 -0.62 -0.47 1.19 3.57 -0.63 -0.85 116.94 119.98 1iim h PHE 239 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1iim h PHE 239 Cb 0.64 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1iim h PHE 239 CO 0.04 -0.35 0.30 0.82 -2.23 0.00 0.00 178.31 176.89 1iim h ILE 240 N -0.52 1.13 -0.55 1.41 1.08 -1.15 -2.50 117.51 116.40 1iim h ILE 240 Ca -0.01 -0.25 0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1iim h ILE 240 Cb 0.47 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1iim h ILE 240 CO -0.03 0.13 0.33 0.00 -0.69 0.00 0.00 178.15 177.88 1iim h ALA 241 N 1.16 0.71 0.04 1.87 0.00 -0.98 -1.22 119.26 120.83 1iim h ALA 241 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1iim h ALA 241 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1iim h ALA 241 CO -0.04 0.04 -0.02 1.15 0.00 0.00 0.00 179.25 180.39 1iim h THR 242 N 0.65 0.98 -0.35 0.00 2.02 -0.89 -0.39 112.91 114.92 1iim h THR 242 Ca 0.22 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.38 1iim h THR 242 Cb 0.04 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1iim h THR 242 CO -0.10 0.01 0.18 0.40 0.37 0.00 0.00 175.52 176.38 1iim h ILE 243 N -0.07 1.00 -0.52 3.11 2.04 -1.30 -1.27 117.51 120.51 1iim h ILE 243 Ca -0.01 -0.13 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 1iim h ILE 243 Cb 0.06 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1iim h ILE 243 CO 0.01 0.07 -0.10 -0.33 0.00 0.00 0.00 178.15 177.80 1iim h GLU 244 N 0.38 0.96 -0.60 2.37 5.08 -1.08 -0.71 114.58 120.98 1iim h GLU 244 Ca 0.14 -0.34 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1iim h GLU 244 Cb 0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1iim h GLU 244 CO -0.09 1.01 0.08 0.93 -1.00 0.00 0.00 179.01 179.94 1iim h GLU 245 N 0.86 1.01 0.12 2.33 4.39 -0.90 0.34 114.58 122.72 1iim h GLU 245 Ca 0.14 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1iim h GLU 245 Cb 0.64 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1iim h GLU 245 CO 0.04 0.96 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.70 1iim h ARG 246 N 0.91 -0.16 0.00 2.33 9.65 -1.05 -3.34 114.38 122.72 1iim h ARG 246 Ca 0.18 0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.94 1iim h ARG 246 Cb 0.45 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1iim h ARG 246 CO 0.02 0.20 -0.61 1.96 2.80 0.00 0.00 179.97 184.33 1iim h GLN 247 N -0.53 0.00 -0.39 0.20 4.20 -1.14 -3.47 115.11 113.97 1iim h GLN 247 Ca -0.02 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 1iim h GLN 247 Cb 0.43 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1iim h GLN 247 CO 0.03 0.61 -0.12 0.41 -0.67 0.00 0.00 178.83 179.08 1iim n GLY 248 N 1.25 0.73 3.31 3.46 0.00 0.10 -5.01 105.19 109.04 1iim n GLY 248 Ca 0.01 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 1iim n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iim s LEU 249 N -1.47 2.42 -0.04 0.99 1.43 -1.23 -5.08 118.68 115.69 1iim s LEU 249 Ca 0.00 -0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1iim s LEU 249 Cb 0.00 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1iim s LEU 249 CO 0.00 -0.04 0.12 -0.54 0.23 0.00 0.00 176.35 176.12 1iim s LYS 250 N -2.67 3.25 -0.16 1.70 -0.14 -1.26 -4.27 119.74 116.20 1iim s LYS 250 Ca 0.13 -0.36 -0.18 0.00 -1.36 0.00 0.00 55.97 54.21 1iim s LYS 250 Cb -0.06 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 1iim s LYS 250 CO 0.06 0.69 0.47 0.08 -0.76 0.00 0.00 175.35 175.88 1iim s VAL 251 N -1.18 5.17 -1.23 3.17 1.01 -1.26 -4.47 120.40 121.61 1iim s VAL 251 Ca 0.22 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 1iim s VAL 251 Cb -0.12 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 1iim s VAL 251 CO 0.13 0.27 0.82 -1.20 0.00 0.00 0.00 175.10 175.11 1iim n SER 252 N 4.18 -2.47 -4.47 3.32 7.64 -1.26 -4.96 113.62 115.59 1iim n SER 252 Ca -0.07 -0.77 -0.43 0.00 1.01 0.00 0.00 58.87 58.61 1iim n SER 252 Cb 0.51 -4.44 -0.07 0.00 -1.01 0.00 0.00 64.21 59.19 1iim n SER 252 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iim h PRO 254 N 8.88 1.02 -0.61 0.00 0.11 -1.93 -1.00 132.00 138.46 1iim h PRO 254 Ca -0.27 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.82 1iim h PRO 254 Cb 1.10 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 1iim h PRO 254 CO 0.90 0.67 0.36 0.93 -0.21 0.00 0.00 178.00 180.65 1iim h GLU 255 N 1.05 0.67 -0.24 1.05 3.07 -1.97 0.55 114.58 118.76 1iim h GLU 255 Ca 0.42 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1iim h GLU 255 Cb 0.23 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1iim h GLU 255 CO -0.19 0.44 0.06 1.49 -1.40 0.00 0.00 179.01 179.42 1iim h GLU 256 N 0.69 0.37 -0.90 2.33 4.81 -1.72 -1.79 114.58 118.37 1iim h GLU 256 Ca 0.26 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1iim h GLU 256 Cb 0.08 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1iim h GLU 256 CO -0.13 0.47 0.50 0.82 -0.73 0.00 0.00 179.01 179.94 1iim h ILE 257 N 0.21 1.26 -0.64 2.32 2.04 -0.84 0.01 117.51 121.88 1iim h ILE 257 Ca 0.08 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 1iim h ILE 257 Cb 0.26 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1iim h ILE 257 CO -0.00 0.29 0.12 0.00 0.00 0.00 0.00 178.15 178.56 1iim h ALA 258 N 1.27 0.84 0.08 1.87 0.00 -0.83 -1.51 119.26 120.99 1iim h ALA 258 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1iim h ALA 258 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1iim h ALA 258 CO -0.05 0.59 -0.04 0.35 0.00 0.00 0.00 179.25 180.10 1iim h PHE 259 N 0.96 -0.10 0.00 0.00 3.57 -0.53 0.31 116.94 121.15 1iim h PHE 259 Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1iim h PHE 259 Cb 0.41 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1iim h PHE 259 CO 0.03 0.13 -0.08 0.00 -2.23 0.00 0.00 178.31 176.16 1iim h ARG 260 N -0.32 0.00 -0.55 1.11 3.08 -0.94 -0.82 114.38 115.94 1iim h ARG 260 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iim h ARG 260 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1iim h ARG 260 CO 0.02 0.08 0.00 1.63 -1.07 0.00 0.00 179.97 180.63 1iim n LYS 261 N -3.40 2.40 -2.76 0.04 5.02 -0.58 -4.93 118.16 113.95 1iim n LYS 261 Ca -0.01 -2.16 -0.21 0.00 -2.02 0.00 0.00 58.31 53.91 1iim n LYS 261 Cb 0.23 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1iim n LYS 261 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1iim n ASN 262 N 1.28 -5.85 0.08 4.39 3.02 -0.31 -4.89 115.26 112.98 1iim n ASN 262 Ca 0.20 -0.18 -0.08 0.00 -0.03 0.00 0.00 54.58 54.49 1iim n ASN 262 Cb 0.52 -4.75 -0.06 0.00 -0.61 0.00 0.00 39.78 34.88 1iim n ASN 262 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1iim h PHE 263 N -0.83 0.13 -4.41 3.10 0.05 -0.60 -3.46 116.94 110.92 1iim h PHE 263 Ca -0.49 -0.09 -0.19 0.00 3.82 0.00 0.00 57.97 61.02 1iim h PHE 263 Cb 1.35 -0.01 -0.15 0.00 2.00 0.00 0.00 35.95 39.14 1iim h PHE 263 CO 0.51 0.99 -0.62 0.96 -0.18 0.00 0.00 178.31 179.97 1iim s ILE 264 N -2.91 0.09 0.52 -0.55 -4.36 -1.17 -4.37 121.20 108.44 1iim s ILE 264 Ca -0.01 -1.89 0.07 0.00 -0.26 0.00 0.00 60.65 58.56 1iim s ILE 264 Cb 0.10 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 41.76 1iim s ILE 264 CO 0.82 -0.40 0.48 0.54 0.24 0.00 0.00 174.94 176.63 1iim s ASN 265 N -3.06 4.82 0.34 4.36 6.03 -1.26 -4.43 114.94 121.75 1iim s ASN 265 Ca 0.25 -1.05 0.07 0.00 -1.03 0.00 0.00 52.86 51.10 1iim s ASN 265 Cb 0.07 0.18 0.77 0.00 -3.03 0.00 0.00 41.25 39.24 1iim s ASN 265 CO 0.03 -1.06 1.86 0.00 -2.03 0.00 0.00 177.10 175.90 1iim h ALA 266 N 0.69 1.77 -0.42 3.54 0.00 -2.00 -1.36 119.26 121.49 1iim h ALA 266 Ca -0.36 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1iim h ALA 266 Cb 1.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1iim h ALA 266 CO 0.54 -0.02 -0.03 0.37 0.00 0.00 0.00 179.25 180.11 1iim h GLN 267 N 0.75 0.69 -0.32 0.00 4.15 -1.99 -0.73 115.11 117.65 1iim h GLN 267 Ca 0.46 -0.18 -0.14 0.00 0.77 0.00 0.00 58.65 59.55 1iim h GLN 267 Cb 0.68 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1iim h GLN 267 CO -0.22 0.73 -0.37 0.37 -1.93 0.00 0.00 178.83 177.40 1iim h GLN 268 N 0.65 0.76 -0.25 1.69 5.75 -1.66 -2.57 115.11 119.47 1iim h GLN 268 Ca 0.13 -0.38 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 1iim h GLN 268 Cb 0.44 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1iim h GLN 268 CO 0.02 1.00 0.08 0.28 -2.65 0.00 0.00 178.83 177.56 1iim h VAL 269 N 0.62 1.19 -1.00 2.39 2.07 -0.90 -2.35 116.25 118.28 1iim h VAL 269 Ca 0.06 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1iim h VAL 269 Cb 0.92 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 1iim h VAL 269 CO 0.08 0.20 0.64 0.40 0.02 0.00 0.00 177.57 178.92 1iim h ILE 270 N 0.25 1.07 -0.40 4.57 2.04 -1.07 0.73 117.51 124.68 1iim h ILE 270 Ca 0.08 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1iim h ILE 270 Cb 0.23 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1iim h ILE 270 CO -0.00 0.21 -0.25 -0.33 0.00 0.00 0.00 178.15 177.78 1iim h GLU 271 N 1.15 0.88 -0.14 2.37 5.08 -1.27 -2.29 114.58 120.36 1iim h GLU 271 Ca 0.44 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1iim h GLU 271 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1iim h GLU 271 CO -0.18 1.05 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.30 1iim h LEU 272 N 0.69 0.41 -0.66 1.33 3.38 -0.87 -3.16 115.31 116.43 1iim h LEU 272 Ca 0.08 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1iim h LEU 272 Cb 0.82 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1iim h LEU 272 CO 0.07 0.86 -0.47 0.00 0.09 0.00 0.00 178.44 178.98 1iim h ALA 273 N 1.16 0.88 -0.31 1.53 0.00 -0.78 -3.36 119.26 118.38 1iim h ALA 273 Ca 0.01 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1iim h ALA 273 Cb 1.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1iim h ALA 273 CO 0.09 0.59 -0.31 0.78 0.00 0.00 0.00 179.25 180.40 1iim h GLY 274 N 2.40 -1.52 2.00 0.00 0.00 -1.37 0.63 103.07 105.20 1iim h GLY 274 Ca -0.00 0.83 0.00 0.00 0.00 0.00 0.00 47.33 48.16 1iim h GLY 274 CO 0.06 -0.42 0.00 -1.05 0.00 0.00 0.00 176.54 175.13 1iim n PRO 275 N -4.16 0.14 -0.24 4.80 -0.02 -1.26 -2.36 135.00 131.90 1iim n PRO 275 Ca -0.01 0.61 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 1iim n PRO 275 Cb 0.17 -1.92 0.22 0.00 -0.02 0.00 0.00 33.50 31.95 1iim n PRO 275 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1iim n LEU 276 N -2.21 3.33 -0.55 2.45 4.77 0.16 -4.60 117.00 120.35 1iim n LEU 276 Ca -0.01 -1.87 0.03 0.00 -0.03 0.00 0.00 56.01 54.13 1iim n LEU 276 Cb 0.05 -0.32 0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1iim n LEU 276 CO 0.10 0.81 0.54 -1.54 -1.33 0.00 0.00 177.39 175.97 1iim n SER 277 N 1.08 1.53 -0.28 -1.43 3.41 -0.86 -0.96 113.62 116.12 1iim n SER 277 Ca 0.17 -2.08 0.13 0.00 -0.26 0.00 0.00 58.87 56.83 1iim n SER 277 Cb 0.52 -0.26 0.61 0.00 -0.26 0.00 0.00 64.21 64.81 1iim n SER 277 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iim n LYS 278 N 0.16 1.37 -4.02 4.33 4.01 -1.26 -4.65 118.16 118.09 1iim n LYS 278 Ca 0.08 -0.55 -0.12 0.00 -0.51 0.00 0.00 58.31 57.21 1iim n LYS 278 Cb 0.29 -1.43 -0.04 0.00 -0.51 0.00 0.00 35.03 33.33 1iim n LYS 278 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1iim s ASN 279 N -1.82 0.36 0.42 4.39 2.20 -1.23 -5.06 114.94 114.20 1iim s ASN 279 Ca 0.37 -1.21 0.15 0.00 -0.94 0.00 0.00 52.86 51.23 1iim s ASN 279 Cb 0.19 0.64 1.03 0.00 -2.00 0.00 0.00 41.25 41.11 1iim s ASN 279 CO 0.30 -1.26 1.93 -0.78 -2.94 0.00 0.00 177.10 174.36 1iim h ASP 280 N 2.18 0.41 -0.26 3.54 -0.00 -1.88 -3.12 116.42 117.29 1iim h ASP 280 Ca -0.28 0.02 0.06 0.00 -0.00 0.00 0.00 57.03 56.83 1iim h ASP 280 Cb 1.25 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.33 40.44 1iim h ASP 280 CO 0.38 0.22 -0.36 0.22 -0.00 0.00 0.00 179.24 179.70 1iim h TYR 281 N 0.44 -1.02 -0.40 0.28 3.20 -1.96 0.39 116.97 117.90 1iim h TYR 281 Ca 0.35 0.05 -0.14 0.00 3.14 0.00 0.00 58.73 62.13 1iim h TYR 281 Cb 0.76 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 1iim h TYR 281 CO -0.00 -0.42 -0.32 0.78 -1.64 0.00 0.00 178.16 176.57 1iim h GLY 282 N -0.36 0.99 1.48 1.82 0.00 -0.99 -2.74 103.07 103.28 1iim h GLY 282 Ca 0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.46 1iim h GLY 282 CO -0.46 0.88 0.23 0.50 0.00 0.00 0.00 176.54 177.69 1iim h LYS 283 N 0.73 0.68 0.06 4.80 1.57 -1.44 -0.91 116.57 122.06 1iim h LYS 283 Ca 0.07 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iim h LYS 283 Cb 0.90 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1iim h LYS 283 CO 0.08 0.53 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.54 1iim h TYR 284 N 0.68 -0.09 -0.70 -1.35 3.20 -0.06 -0.85 116.97 117.80 1iim h TYR 284 Ca 0.17 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1iim h TYR 284 Cb 0.08 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1iim h TYR 284 CO 0.01 -0.06 0.33 -0.07 -1.64 0.00 0.00 178.16 176.73 1iim h LEU 285 N -0.09 0.92 -0.47 2.82 3.38 -1.11 0.16 115.31 120.92 1iim h LEU 285 Ca -0.00 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1iim h LEU 285 Cb 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1iim h LEU 285 CO 0.01 0.80 0.19 -0.07 0.09 0.00 0.00 178.44 179.46 1iim h LEU 286 N 0.98 0.65 -0.66 1.67 3.38 -1.01 -2.38 115.31 117.94 1iim h LEU 286 Ca 0.24 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1iim h LEU 286 Cb 0.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1iim h LEU 286 CO -0.03 0.64 0.23 0.50 0.09 0.00 0.00 178.44 179.87 1iim h LYS 287 N 0.62 1.02 -0.91 1.13 3.64 -0.86 -2.69 116.57 118.52 1iim h LYS 287 Ca 0.16 -0.21 0.16 0.00 -1.27 0.00 0.00 60.65 59.49 1iim h LYS 287 Cb 0.19 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 31.76 1iim h LYS 287 CO -0.01 0.87 0.50 1.98 -2.27 0.00 0.00 179.45 180.52 1iim h MET 288 N 0.95 0.66 -0.03 1.90 4.05 -0.20 -3.51 114.93 118.76 1iim h MET 288 Ca 0.22 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1iim h MET 288 Cb 0.26 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1iim h MET 288 CO -0.01 0.44 0.00 1.33 0.23 0.00 0.00 176.91 178.90