#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgd s HIS -12 N 0.00 2.41 -0.15 -1.40 2.46 -1.26 -5.02 115.29 112.32 3kgd s HIS -12 Ca 0.00 1.31 -0.01 0.00 0.47 0.00 0.00 55.06 56.84 3kgd s HIS -12 Cb 0.00 -3.86 -0.01 0.00 -0.13 0.00 0.00 32.58 28.58 3kgd s HIS -12 CO 0.00 -2.88 -0.13 -1.01 -2.47 0.00 0.00 174.74 168.25 3kgd s HIS -11 N -1.25 2.82 0.82 3.88 4.02 -1.26 -5.09 115.29 119.24 3kgd s HIS -11 Ca 0.65 -0.86 -0.11 0.00 1.02 0.00 0.00 55.06 55.76 3kgd s HIS -11 Cb -0.42 -1.90 0.08 0.00 -1.02 0.00 0.00 32.58 29.32 3kgd s HIS -11 CO 0.53 -0.37 1.09 -3.38 1.02 0.00 0.00 174.74 173.62 3kgd s HIS -10 N 0.72 2.58 -0.07 1.40 0.00 -1.26 -1.24 115.29 117.42 3kgd s HIS -10 Ca -0.06 1.36 0.11 0.00 -3.00 0.00 0.00 55.06 53.47 3kgd s HIS -10 Cb -0.15 -3.09 0.62 0.00 -4.00 0.00 0.00 32.58 25.96 3kgd s HIS -10 CO 0.02 -1.96 1.23 1.58 -1.00 0.00 0.00 174.74 174.61 3kgd n HIS -9 N -3.60 0.39 0.00 0.38 -0.00 -1.26 -4.00 115.22 107.12 3kgd n HIS -9 Ca 0.08 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.46 3kgd n HIS -9 Cb 0.54 -0.62 0.00 0.00 -0.12 0.00 0.00 29.99 29.79 3kgd n HIS -9 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3kgd n LYS 3 N -1.95 0.00 -2.45 1.57 4.01 -1.25 -4.93 118.16 113.17 3kgd n LYS 3 Ca -0.01 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.44 3kgd n LYS 3 Cb 0.30 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.79 3kgd n LYS 3 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3kgd s ARG 4 N -0.30 3.77 -0.01 1.97 3.52 -1.26 -4.66 118.95 121.99 3kgd s ARG 4 Ca 0.00 1.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.79 3kgd s ARG 4 Cb 0.00 -2.20 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 3kgd s ARG 4 CO 0.00 -0.48 1.28 1.41 -0.81 0.00 0.00 175.30 176.70 3kgd s MET 5 N -3.04 4.34 -0.21 5.12 -2.45 -1.26 -4.37 119.30 117.43 3kgd s MET 5 Ca 0.66 1.81 -0.16 0.00 -1.25 0.00 0.00 55.69 56.76 3kgd s MET 5 Cb -0.20 -3.51 -0.04 0.00 1.25 0.00 0.00 34.83 32.33 3kgd s MET 5 CO 0.25 -0.46 0.41 0.42 1.05 0.00 0.00 175.02 176.69 3kgd s ILE 6 N 2.03 5.18 -0.27 10.11 1.01 -0.64 -4.97 121.20 133.65 3kgd s ILE 6 Ca 0.60 0.73 -0.13 0.00 0.00 0.00 0.00 60.65 61.85 3kgd s ILE 6 Cb -0.28 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3kgd s ILE 6 CO 0.25 0.23 0.28 0.00 0.00 0.00 0.00 174.94 175.71 3kgd s ALA 7 N 1.42 3.55 0.07 9.38 0.00 -1.26 -0.77 121.76 134.15 3kgd s ALA 7 Ca 0.19 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3kgd s ALA 7 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3kgd s ALA 7 CO 0.08 -0.60 -0.16 -0.51 0.00 0.00 0.00 175.76 174.57 3kgd s LEU 8 N 1.92 2.73 -0.18 0.00 1.43 0.72 -4.97 118.68 120.33 3kgd s LEU 8 Ca 0.11 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3kgd s LEU 8 Cb -0.16 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3kgd s LEU 8 CO 0.10 0.23 0.03 -0.62 0.23 0.00 0.00 176.35 176.32 3kgd s ASP 9 N -1.71 5.24 0.00 2.29 3.68 -1.26 -2.09 116.67 122.82 3kgd s ASP 9 Ca 0.16 -0.04 0.27 0.00 2.13 0.00 0.00 52.55 55.08 3kgd s ASP 9 Cb -0.11 -1.89 1.04 0.00 -1.45 0.00 0.00 42.92 40.51 3kgd s ASP 9 CO 0.08 0.14 1.74 0.61 0.13 0.00 0.00 175.17 177.86 3kgd n GLY 10 N 3.76 0.01 0.24 2.66 0.00 0.03 -4.59 105.19 107.29 3kgd n GLY 10 Ca -0.17 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.46 3kgd n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgd h ALA 11 N 4.32 1.69 -0.40 4.61 0.00 -1.74 -1.10 119.26 126.65 3kgd h ALA 11 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kgd h ALA 11 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kgd h ALA 11 CO 0.00 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.52 3kgd n GLN 12 N -4.36 2.25 0.00 0.00 3.00 -1.26 -4.98 117.38 112.04 3kgd n GLN 12 Ca -0.02 -1.57 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 3kgd n GLN 12 Cb 0.21 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.98 3kgd n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kgd n GLY 13 N 0.98 1.64 2.48 1.08 0.00 -0.42 -5.01 105.19 105.93 3kgd n GLY 13 Ca 0.14 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 3kgd n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kgd n GLU 14 N 0.72 -1.23 0.18 1.61 -0.58 -1.26 -4.80 120.64 115.28 3kgd n GLU 14 Ca 0.00 1.07 0.06 0.00 -0.42 0.00 0.00 57.16 57.87 3kgd n GLU 14 Cb 0.00 -5.34 0.24 0.00 -0.57 0.00 0.00 31.44 25.77 3kgd n GLU 14 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3kgd h GLY 15 N 0.00 0.00 -0.99 0.62 0.00 -1.91 -1.17 103.07 99.63 3kgd h GLY 15 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3kgd h GLY 15 CO 0.51 0.00 -0.29 0.61 0.00 0.00 0.00 176.54 177.38 3kgd n GLY 16 N 0.68 0.10 0.00 4.60 0.00 -1.26 -3.99 105.19 105.33 3kgd n GLY 16 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3kgd n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgd n GLY 17 N 1.19 0.95 0.24 -0.02 0.00 -1.00 -4.69 105.19 101.86 3kgd n GLY 17 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 3kgd n GLY 17 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kgd h GLN 18 N 0.00 0.41 -0.34 1.61 5.75 -1.91 0.38 115.11 121.00 3kgd h GLN 18 Ca 0.00 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 3kgd h GLN 18 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 3kgd h GLN 18 CO 0.00 0.56 -0.16 0.82 -2.65 0.00 0.00 178.83 177.40 3kgd h ILE 19 N 0.38 1.29 -0.29 2.39 2.04 -1.53 -2.20 117.51 119.59 3kgd h ILE 19 Ca 0.07 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 3kgd h ILE 19 Cb 0.50 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3kgd h ILE 19 CO 0.03 0.41 -0.00 0.25 0.00 0.00 0.00 178.15 178.84 3kgd h LEU 20 N 0.49 0.50 -0.48 1.44 5.85 -1.47 0.53 115.31 122.16 3kgd h LEU 20 Ca 0.08 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3kgd h LEU 20 Cb 0.69 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3kgd h LEU 20 CO 0.05 0.69 0.24 0.03 -0.34 0.00 0.00 178.44 179.11 3kgd h ARG 21 N 0.30 0.68 -0.14 1.25 3.08 -0.96 -0.67 114.38 117.92 3kgd h ARG 21 Ca 0.08 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3kgd h ARG 21 Cb 0.43 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3kgd h ARG 21 CO 0.02 0.56 -0.56 0.77 -1.07 0.00 0.00 179.97 179.68 3kgd h SER 22 N 0.63 0.47 -0.48 7.04 0.02 -1.21 -2.69 113.55 117.33 3kgd h SER 22 Ca 0.17 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 3kgd h SER 22 Cb 0.09 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3kgd h SER 22 CO -0.02 0.94 -0.14 0.00 -1.14 0.00 0.00 176.83 176.46 3kgd h ALA 23 N 1.07 0.67 -0.27 3.77 0.00 -0.64 -1.22 119.26 122.64 3kgd h ALA 23 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3kgd h ALA 23 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3kgd h ALA 23 CO 0.10 0.60 0.10 -0.07 0.00 0.00 0.00 179.25 179.97 3kgd h LEU 24 N 0.80 0.11 -0.15 0.00 3.38 -1.05 0.14 115.31 118.54 3kgd h LEU 24 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kgd h LEU 24 Cb 0.70 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3kgd h LEU 24 CO 0.05 0.10 0.07 0.28 0.09 0.00 0.00 178.44 179.03 3kgd h SER 25 N 0.22 0.20 -0.04 -0.43 0.02 -1.27 -1.91 113.55 110.35 3kgd h SER 25 Ca 0.12 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 3kgd h SER 25 Cb 0.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3kgd h SER 25 CO -0.12 0.28 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.37 3kgd h LEU 26 N 0.11 0.61 -0.35 5.07 3.38 -1.03 -1.64 115.31 121.45 3kgd h LEU 26 Ca 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kgd h LEU 26 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kgd h LEU 26 CO -0.01 0.95 0.22 -1.28 0.09 0.00 0.00 178.44 178.41 3kgd h SER 27 N 0.46 0.42 -0.78 -0.43 0.87 -0.62 -1.01 113.55 112.47 3kgd h SER 27 Ca 0.04 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3kgd h SER 27 Cb 0.93 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 3kgd h SER 27 CO 0.08 0.35 0.27 0.24 -0.53 0.00 0.00 176.83 177.24 3kgd h MET 28 N 0.46 1.18 -0.38 2.24 2.86 -1.07 0.29 114.93 120.50 3kgd h MET 28 Ca 0.13 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3kgd h MET 28 Cb -0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3kgd h MET 28 CO -0.02 0.98 0.04 0.82 1.06 0.00 0.00 176.91 179.79 3kgd h ILE 29 N 1.14 1.25 0.00 -1.22 2.04 -1.11 -3.30 117.51 116.31 3kgd h ILE 29 Ca 0.25 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3kgd h ILE 29 Cb 0.27 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3kgd h ILE 29 CO -0.01 0.30 -1.17 0.35 0.00 0.00 0.00 178.15 177.62 3kgd n THR 30 N -4.52 0.17 -0.97 -0.27 -2.24 -0.40 -4.96 114.28 101.09 3kgd n THR 30 Ca -0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3kgd n THR 30 Cb 0.25 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3kgd n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kgd n GLY 31 N 1.34 0.57 3.65 3.38 0.00 1.00 -4.88 105.19 110.25 3kgd n GLY 31 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3kgd n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kgd s GLN 32 N -0.27 4.20 0.73 1.61 -0.21 -1.16 -3.83 119.66 120.73 3kgd s GLN 32 Ca 0.00 0.78 -0.12 0.00 0.02 0.00 0.00 55.36 56.03 3kgd s GLN 32 Cb 0.00 -3.61 0.04 0.00 1.00 0.00 0.00 33.01 30.43 3kgd s GLN 32 CO 0.00 -0.38 1.11 -1.25 -2.12 0.00 0.00 175.29 172.65 3kgd s PRO 33 N 2.37 2.40 0.07 2.91 0.04 -1.26 -4.48 135.00 137.05 3kgd s PRO 33 Ca 0.32 1.30 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 3kgd s PRO 33 Cb -0.16 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3kgd s PRO 33 CO 0.09 -1.54 0.07 -0.59 0.04 0.00 0.00 177.00 175.07 3kgd s PHE 34 N -2.63 0.35 -0.03 0.56 -0.71 -0.75 -1.63 117.98 113.13 3kgd s PHE 34 Ca 0.64 -0.84 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 3kgd s PHE 34 Cb -0.19 -0.23 -0.00 0.00 -1.21 0.00 0.00 43.02 41.38 3kgd s PHE 34 CO 0.50 -0.45 -0.14 0.99 -1.34 0.00 0.00 175.22 174.77 3kgd s THR 35 N -3.86 1.18 -0.07 -4.49 2.01 0.05 -1.18 115.64 109.29 3kgd s THR 35 Ca 0.06 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.51 3kgd s THR 35 Cb 0.06 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 3kgd s THR 35 CO -0.10 0.35 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.49 3kgd s ILE 36 N 0.03 2.72 0.37 1.82 2.07 -0.06 -0.20 121.20 127.95 3kgd s ILE 36 Ca -0.02 -0.83 0.08 0.00 -1.41 0.00 0.00 60.65 58.47 3kgd s ILE 36 Cb -0.10 -2.06 -0.07 0.00 0.13 0.00 0.00 42.46 40.36 3kgd s ILE 36 CO 0.01 0.57 -0.05 0.42 -1.91 0.00 0.00 174.94 173.98 3kgd s THR 37 N -0.33 2.09 -1.36 4.00 -4.23 -0.89 -1.27 115.64 113.66 3kgd s THR 37 Ca 0.02 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 3kgd s THR 37 Cb -0.13 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3kgd s THR 37 CO 0.02 -0.12 0.92 -0.24 -0.54 0.00 0.00 174.62 174.66 3kgd n SER 38 N -0.85 -6.09 -4.65 3.99 2.88 -0.35 -0.79 113.62 107.76 3kgd n SER 38 Ca -0.05 -0.42 -0.43 0.00 -1.33 0.00 0.00 58.87 56.64 3kgd n SER 38 Cb 0.65 -4.78 -0.02 0.00 -0.75 0.00 0.00 64.21 59.30 3kgd n SER 38 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3kgd s ILE 39 N -3.25 3.91 -1.60 2.46 1.01 -0.19 -3.51 121.20 120.03 3kgd s ILE 39 Ca 0.45 1.08 -0.13 0.00 0.00 0.00 0.00 60.65 62.05 3kgd s ILE 39 Cb -0.20 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.61 3kgd s ILE 39 CO 0.56 -0.18 0.70 0.54 0.00 0.00 0.00 174.94 176.57 3kgd n ARG 40 N 7.08 -3.44 0.26 2.79 1.74 -1.26 -2.05 116.66 121.78 3kgd n ARG 40 Ca 0.16 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.77 3kgd n ARG 40 Cb 0.44 -4.97 0.68 0.00 -1.02 0.00 0.00 32.46 27.59 3kgd n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kgd h ALA 41 N 0.90 1.16 -0.54 7.54 0.00 -1.88 -2.87 119.26 123.57 3kgd h ALA 41 Ca -0.60 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3kgd h ALA 41 Cb 1.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kgd h ALA 41 CO 0.73 0.16 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3kgd n GLY 42 N -0.41 3.08 3.86 0.00 0.00 -1.26 -4.92 105.19 105.54 3kgd n GLY 42 Ca -0.01 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3kgd n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgd s ARG 43 N -2.36 3.32 0.30 1.61 1.81 -1.10 -5.02 118.95 117.52 3kgd s ARG 43 Ca 0.50 -0.35 0.05 0.00 -1.72 0.00 0.00 55.73 54.22 3kgd s ARG 43 Cb 0.36 -3.04 0.72 0.00 -0.45 0.00 0.00 34.95 32.54 3kgd s ARG 43 CO 0.18 0.68 1.77 0.00 -0.68 0.00 0.00 175.30 177.26 3kgd h ALA 44 N 4.06 1.63 -3.11 2.13 0.00 -1.93 -2.70 119.26 119.34 3kgd h ALA 44 Ca -0.50 0.08 -0.70 0.00 0.00 0.00 0.00 54.91 53.79 3kgd h ALA 44 Cb 1.19 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 18.56 3kgd h ALA 44 CO 0.65 -0.05 -0.45 0.15 0.00 0.00 0.00 179.25 179.55 3kgd s LYS 45 N -5.87 2.29 0.84 0.00 -0.14 -1.26 -5.10 119.74 110.50 3kgd s LYS 45 Ca -0.11 -2.13 -0.09 0.00 -1.36 0.00 0.00 55.97 52.27 3kgd s LYS 45 Cb 0.25 -3.68 0.15 0.00 -1.68 0.00 0.00 37.83 32.87 3kgd s LYS 45 CO 0.80 -1.13 1.16 -1.25 -0.76 0.00 0.00 175.35 174.17 3kgd s PRO 46 N 0.62 1.24 1.72 -1.68 0.04 -1.02 -4.96 135.00 130.97 3kgd s PRO 46 Ca 0.12 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.51 3kgd s PRO 46 Cb -0.22 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3kgd s PRO 46 CO -0.04 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 175.52 3kgd n GLY 47 N -3.31 -1.55 3.73 0.56 0.00 -0.87 -4.33 105.19 99.43 3kgd n GLY 47 Ca 0.14 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3kgd n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kgd s LEU 48 N 0.00 4.45 0.44 0.99 1.43 -0.48 -4.71 118.68 120.81 3kgd s LEU 48 Ca 0.00 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 3kgd s LEU 48 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3kgd s LEU 48 CO 0.00 -0.33 0.64 -0.76 0.23 0.00 0.00 176.35 176.13 3kgd s LEU 49 N -0.07 3.64 0.23 1.79 1.43 -1.26 -0.65 118.68 123.78 3kgd s LEU 49 Ca 0.52 0.08 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 3kgd s LEU 49 Cb -0.31 -2.98 0.37 0.00 0.03 0.00 0.00 46.19 43.30 3kgd s LEU 49 CO 0.35 -0.74 1.70 0.03 0.23 0.00 0.00 176.35 177.92 3kgd h ARG 50 N 0.45 0.27 -0.00 1.70 3.08 -1.98 -1.82 114.38 116.07 3kgd h ARG 50 Ca -0.45 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 3kgd h ARG 50 Cb 1.26 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 3kgd h ARG 50 CO 0.54 0.18 -0.38 -0.56 -1.07 0.00 0.00 179.97 178.68 3kgd h GLN 51 N 0.27 0.00 -0.68 0.04 -0.00 -1.95 -1.97 115.11 110.82 3kgd h GLN 51 Ca 0.36 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.98 3kgd h GLN 51 Cb 0.57 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.02 3kgd h GLN 51 CO -0.45 0.38 0.30 0.45 -0.00 0.00 0.00 178.83 179.51 3kgd h HIS 52 N 0.00 1.02 -0.29 0.06 3.86 -1.63 -2.42 115.15 115.75 3kgd h HIS 52 Ca -0.00 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 3kgd h HIS 52 Cb 0.67 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 3kgd h HIS 52 CO 0.00 0.78 -0.05 -0.07 0.86 0.00 0.00 177.93 179.45 3kgd h LEU 53 N 0.96 0.44 -0.76 2.43 3.38 -0.93 -2.58 115.31 118.24 3kgd h LEU 53 Ca 0.23 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3kgd h LEU 53 Cb 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3kgd h LEU 53 CO -0.02 0.54 0.46 0.74 0.09 0.00 0.00 178.44 180.25 3kgd h THR 54 N 0.44 1.04 -0.57 0.22 2.02 -0.89 0.21 112.91 115.38 3kgd h THR 54 Ca 0.09 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 3kgd h THR 54 Cb 0.37 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 3kgd h THR 54 CO 0.02 0.16 0.16 0.00 0.37 0.00 0.00 175.52 176.22 3kgd h ALA 55 N 1.36 0.75 -0.67 6.16 0.00 -1.44 -1.30 119.26 124.11 3kgd h ALA 55 Ca 0.33 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3kgd h ALA 55 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3kgd h ALA 55 CO -0.15 0.43 0.14 0.28 0.00 0.00 0.00 179.25 179.95 3kgd h VAL 56 N 0.81 1.26 -0.71 0.00 2.07 -1.07 -0.91 116.25 117.69 3kgd h VAL 56 Ca 0.18 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 3kgd h VAL 56 Cb 0.31 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3kgd h VAL 56 CO -0.00 0.37 0.24 0.11 0.02 0.00 0.00 177.57 178.31 3kgd h LYS 57 N 1.03 1.08 -0.21 1.57 1.79 -0.39 -0.56 116.57 120.88 3kgd h LYS 57 Ca 0.21 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 3kgd h LYS 57 Cb 0.39 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3kgd h LYS 57 CO 0.01 0.90 -0.15 0.00 -1.08 0.00 0.00 179.45 179.13 3kgd h ALA 58 N 1.22 0.30 -0.84 3.86 0.00 -1.01 -1.67 119.26 121.12 3kgd h ALA 58 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kgd h ALA 58 Cb 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kgd h ALA 58 CO -0.01 0.18 0.48 0.00 0.00 0.00 0.00 179.25 179.90 3kgd h ALA 59 N 0.68 1.08 -0.70 0.00 0.00 -1.02 -2.18 119.26 117.11 3kgd h ALA 59 Ca 0.04 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kgd h ALA 59 Cb 0.66 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kgd h ALA 59 CO 0.04 0.57 0.46 1.15 0.00 0.00 0.00 179.25 181.47 3kgd h THR 60 N 1.17 1.15 -0.42 0.00 2.02 -0.84 -2.23 112.91 113.76 3kgd h THR 60 Ca 0.30 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3kgd h THR 60 Cb 0.01 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3kgd h THR 60 CO -0.05 0.17 -0.07 -0.08 0.37 0.00 0.00 175.52 175.86 3kgd h GLU 61 N 0.92 0.71 0.00 6.66 4.81 -0.97 0.12 114.58 126.83 3kgd h GLU 61 Ca 0.27 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3kgd h GLU 61 Cb -0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3kgd h GLU 61 CO -0.08 0.77 -0.28 -0.84 -0.73 0.00 0.00 179.01 177.85 3kgd h ILE 62 N 0.66 0.47 0.00 2.32 3.07 -0.81 -3.33 117.51 119.89 3kgd h ILE 62 Ca 0.12 -1.67 0.00 0.00 1.55 0.00 0.00 64.86 64.86 3kgd h ILE 62 Cb 0.51 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 3kgd h ILE 62 CO 0.03 0.27 0.00 0.00 -1.05 0.00 0.00 178.15 177.40 3kgd n GLY 64 N -0.40 -0.44 3.79 0.00 0.00 0.37 -1.60 105.19 106.90 3kgd n GLY 64 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3kgd n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgd s ALA 65 N -3.36 2.46 -0.19 4.61 0.00 -0.93 -4.06 121.76 120.29 3kgd s ALA 65 Ca 0.28 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 3kgd s ALA 65 Cb -0.12 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 3kgd s ALA 65 CO 0.74 -1.43 0.03 0.99 0.00 0.00 0.00 175.76 176.09 3kgd s THR 66 N -2.80 4.40 0.01 0.00 2.01 -0.24 -4.95 115.64 114.07 3kgd s THR 66 Ca 0.61 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.46 3kgd s THR 66 Cb -0.17 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 3kgd s THR 66 CO 0.51 0.44 -0.05 -0.69 -0.69 0.00 0.00 174.62 174.14 3kgd s VAL 67 N 0.68 0.40 -0.02 3.82 1.01 -1.26 -0.24 120.40 124.78 3kgd s VAL 67 Ca 0.02 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3kgd s VAL 67 Cb -0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 3kgd s VAL 67 CO 0.02 -0.06 -0.18 -1.61 0.00 0.00 0.00 175.10 173.27 3kgd s GLU 68 N -0.58 1.56 0.00 2.72 2.02 -0.11 -4.81 118.70 119.50 3kgd s GLU 68 Ca -0.02 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.33 3kgd s GLU 68 Cb -0.04 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.73 3kgd s GLU 68 CO -0.00 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.03 3kgd n GLY 69 N 2.80 0.65 2.86 -1.39 0.00 -1.26 -1.12 105.19 107.74 3kgd n GLY 69 Ca -0.16 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3kgd n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgd n ALA 70 N 0.02 5.30 -2.93 4.61 0.00 -1.26 -4.63 120.51 121.62 3kgd n ALA 70 Ca 0.00 -4.11 -0.10 0.00 0.00 0.00 0.00 53.44 49.23 3kgd n ALA 70 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 19.45 16.10 3kgd n ALA 70 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kgd s GLU 71 N 1.78 0.41 0.13 0.00 2.02 -1.26 -5.09 118.70 116.70 3kgd s GLU 71 Ca 0.43 -0.61 -0.34 0.00 0.02 0.00 0.00 54.97 54.48 3kgd s GLU 71 Cb 0.11 0.16 -0.13 0.00 0.10 0.00 0.00 34.13 34.36 3kgd s GLU 71 CO -0.03 -0.08 1.64 1.28 0.02 0.00 0.00 175.26 178.09 3kgd n LEU 72 N 1.36 3.29 0.00 1.80 4.77 -1.26 -1.39 117.00 125.57 3kgd n LEU 72 Ca -0.22 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 3kgd n LEU 72 Cb 0.56 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 3kgd n LEU 72 CO 0.21 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3kgd n GLY 73 N 3.64 1.65 3.77 -0.72 0.00 0.17 -4.91 105.19 108.79 3kgd n GLY 73 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3kgd n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kgd s SER 74 N -3.32 6.61 0.00 1.61 0.15 -0.49 -4.24 113.70 114.02 3kgd s SER 74 Ca 0.00 2.80 0.18 0.00 0.70 0.00 0.00 55.95 59.63 3kgd s SER 74 Cb 0.00 -2.65 0.32 0.00 -1.71 0.00 0.00 66.02 61.98 3kgd s SER 74 CO 0.00 -0.68 1.25 0.00 1.20 0.00 0.00 173.24 175.01 3kgd n GLN 75 N 1.04 2.17 -4.21 5.44 6.02 -1.26 -1.38 117.38 125.20 3kgd n GLN 75 Ca 0.02 -2.00 -0.18 0.00 -0.01 0.00 0.00 57.00 54.83 3kgd n GLN 75 Cb 0.41 -1.40 -0.15 0.00 1.02 0.00 0.00 30.24 30.12 3kgd n GLN 75 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kgd s ARG 76 N -1.27 0.63 -0.05 -1.09 3.52 -1.26 -1.02 118.95 118.41 3kgd s ARG 76 Ca 0.30 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.72 3kgd s ARG 76 Cb 0.18 -0.63 0.02 0.00 -1.56 0.00 0.00 34.95 32.96 3kgd s ARG 76 CO 0.24 0.06 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.57 3kgd s LEU 77 N 0.23 1.36 -0.15 -0.88 2.96 -0.39 -4.36 118.68 117.45 3kgd s LEU 77 Ca -0.03 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3kgd s LEU 77 Cb -0.07 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.07 3kgd s LEU 77 CO -0.00 -0.04 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.68 3kgd s LEU 78 N 0.93 2.98 -0.15 -0.68 0.20 -0.27 -0.88 118.68 120.82 3kgd s LEU 78 Ca -0.11 -0.24 -0.00 0.00 0.69 0.00 0.00 54.13 54.48 3kgd s LEU 78 Cb -0.14 -1.70 0.03 0.00 -0.43 0.00 0.00 46.19 43.95 3kgd s LEU 78 CO 0.00 0.15 -0.08 0.12 -0.29 0.00 0.00 176.35 176.25 3kgd s PHE 79 N 0.44 1.84 -0.33 5.38 5.36 -0.32 -0.93 117.98 129.40 3kgd s PHE 79 Ca -0.06 -1.08 0.01 0.00 -0.96 0.00 0.00 56.93 54.83 3kgd s PHE 79 Cb -0.15 -1.40 0.08 0.00 -0.34 0.00 0.00 43.02 41.22 3kgd s PHE 79 CO 0.04 -0.62 0.05 0.50 -1.46 0.00 0.00 175.22 173.73 3kgd s ARG 80 N 1.59 1.97 0.51 10.12 3.52 0.66 -1.81 118.95 135.52 3kgd s ARG 80 Ca 0.03 -1.63 -0.20 0.00 -0.13 0.00 0.00 55.73 53.80 3kgd s ARG 80 Cb -0.14 -3.25 -0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3kgd s ARG 80 CO -0.09 -0.84 1.07 -1.25 -0.81 0.00 0.00 175.30 173.39 3kgd s PRO 81 N 1.08 3.60 0.00 5.12 0.04 -1.26 -1.08 135.00 142.50 3kgd s PRO 81 Ca 0.03 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3kgd s PRO 81 Cb -0.20 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3kgd s PRO 81 CO -0.05 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.79 3kgd n GLY 82 N -0.15 2.59 3.73 0.56 0.00 -0.63 -4.89 105.19 106.40 3kgd n GLY 82 Ca 0.10 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3kgd n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgd s THR 83 N 1.58 3.08 -0.13 2.61 2.01 -1.19 -4.83 115.64 118.77 3kgd s THR 83 Ca 0.00 0.83 -0.29 0.00 0.31 0.00 0.00 61.69 62.54 3kgd s THR 83 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3kgd s THR 83 CO 0.00 0.10 1.38 -0.69 -0.69 0.00 0.00 174.62 174.72 3kgd s VAL 84 N 0.59 4.07 -0.18 3.82 1.01 -1.26 -4.33 120.40 124.12 3kgd s VAL 84 Ca 0.62 1.29 -0.07 0.00 0.00 0.00 0.00 61.98 63.82 3kgd s VAL 84 Cb -0.38 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3kgd s VAL 84 CO 0.35 -0.12 0.05 -0.13 0.00 0.00 0.00 175.10 175.25 3kgd s ARG 85 N 3.67 3.91 0.77 2.72 0.52 -0.33 -4.32 118.95 125.89 3kgd s ARG 85 Ca 0.60 -0.37 -0.12 0.00 -0.52 0.00 0.00 55.73 55.33 3kgd s ARG 85 Cb -0.25 -3.16 0.06 0.00 0.52 0.00 0.00 34.95 32.11 3kgd s ARG 85 CO 0.19 0.29 1.15 0.20 0.02 0.00 0.00 175.30 177.15 3kgd s GLY 86 N 0.32 1.60 0.00 -3.53 0.00 -1.26 -4.89 107.32 99.56 3kgd s GLY 86 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3kgd s GLY 86 CO 0.01 -0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.63 3kgd n GLY 87 N -3.17 0.82 3.60 0.20 0.00 -1.11 -4.75 105.19 100.77 3kgd n GLY 87 Ca 0.08 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 3kgd n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kgd s ASP 88 N -4.00 5.93 0.05 1.61 -0.00 -0.37 -0.87 116.67 119.03 3kgd s ASP 88 Ca 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 52.55 52.65 3kgd s ASP 88 Cb 0.00 -2.08 -0.03 0.00 -0.00 0.00 0.00 42.92 40.81 3kgd s ASP 88 CO 0.00 0.01 -0.22 -0.31 -0.00 0.00 0.00 175.17 174.65 3kgd s TYR 89 N 1.40 1.90 -0.06 4.23 2.02 0.14 -4.39 117.35 122.59 3kgd s TYR 89 Ca 0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3kgd s TYR 89 Cb -0.15 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.32 3kgd s TYR 89 CO 0.07 0.12 -0.03 1.03 -1.57 0.00 0.00 175.55 175.17 3kgd s ARG 90 N -1.30 0.82 0.10 -0.62 0.52 -1.26 -1.31 118.95 115.89 3kgd s ARG 90 Ca 0.08 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.30 3kgd s ARG 90 Cb -0.09 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.41 3kgd s ARG 90 CO 0.02 -0.16 -0.17 -0.06 0.02 0.00 0.00 175.30 174.95 3kgd s PHE 91 N 1.26 1.53 -0.13 -0.53 0.08 -0.11 -4.98 117.98 115.11 3kgd s PHE 91 Ca -0.06 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.54 3kgd s PHE 91 Cb -0.14 -0.84 0.02 0.00 -0.57 0.00 0.00 43.02 41.50 3kgd s PHE 91 CO -0.02 0.15 -0.11 0.00 -0.10 0.00 0.00 175.22 175.14 3kgd s ALA 92 N -1.37 1.59 -0.05 5.36 0.00 -1.26 -1.30 121.76 124.73 3kgd s ALA 92 Ca 0.04 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 3kgd s ALA 92 Cb -0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 3kgd s ALA 92 CO 0.03 -0.35 0.26 0.42 0.00 0.00 0.00 175.76 176.12 3kgd s ILE 93 N 1.51 5.30 0.58 0.00 1.01 -0.39 -4.96 121.20 124.25 3kgd s ILE 93 Ca 0.03 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 3kgd s ILE 93 Cb -0.13 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.83 3kgd s ILE 93 CO -0.08 0.56 0.84 -0.83 0.00 0.00 0.00 174.94 175.42 3kgd s GLY 94 N -1.17 1.69 -1.30 6.18 0.00 -1.26 -4.43 107.32 107.03 3kgd s GLY 94 Ca 0.20 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 3kgd s GLY 94 CO 0.10 -0.75 0.31 1.44 0.00 0.00 0.00 173.10 174.20 3kgd n SER 95 N -2.48 -4.46 -2.13 1.64 7.64 -1.26 -2.16 113.62 110.40 3kgd n SER 95 Ca 0.06 -0.14 -0.21 0.00 1.01 0.00 0.00 58.87 59.60 3kgd n SER 95 Cb 0.59 -3.70 -0.03 0.00 -1.01 0.00 0.00 64.21 60.06 3kgd n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kgd n ALA 96 N -2.97 -0.52 -1.34 -0.43 0.00 -1.26 -4.97 120.51 109.02 3kgd n ALA 96 Ca -0.10 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3kgd n ALA 96 Cb 0.59 -2.13 0.12 0.00 0.00 0.00 0.00 19.45 18.03 3kgd n ALA 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kgd s GLY 97 N -2.27 1.62 -0.15 0.00 0.00 -0.92 -3.26 107.32 102.33 3kgd s GLY 97 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.32 3kgd s GLY 97 CO 0.00 0.36 1.46 -0.56 0.00 0.00 0.00 173.10 174.36 3kgd s SER 98 N -3.60 6.72 0.24 1.64 0.01 -1.26 -0.00 113.70 117.45 3kgd s SER 98 Ca 0.62 1.82 -0.05 0.00 1.31 0.00 0.00 55.95 59.65 3kgd s SER 98 Cb -0.17 -2.54 0.41 0.00 0.21 0.00 0.00 66.02 63.93 3kgd s SER 98 CO 0.56 -0.94 1.78 0.00 0.41 0.00 0.00 173.24 175.05 3kgd h THR 100 N 0.65 0.16 -0.10 0.00 1.35 -1.84 -2.24 112.91 110.89 3kgd h THR 100 Ca 0.39 -0.76 -0.12 0.00 -0.55 0.00 0.00 66.41 65.37 3kgd h THR 100 Cb 0.45 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 3kgd h THR 100 CO -0.29 0.07 -0.45 -0.07 -0.25 0.00 0.00 175.52 174.52 3kgd h LEU 101 N 0.00 0.25 -0.32 3.87 3.38 -1.84 0.81 115.31 121.45 3kgd h LEU 101 Ca -0.00 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3kgd h LEU 101 Cb 0.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3kgd h LEU 101 CO 0.01 0.68 -0.15 0.58 0.09 0.00 0.00 178.44 179.65 3kgd h VAL 102 N 0.19 1.29 -0.78 1.22 2.07 -1.49 -2.71 116.25 116.05 3kgd h VAL 102 Ca 0.01 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.30 3kgd h VAL 102 Cb 0.88 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3kgd h VAL 102 CO 0.07 0.40 0.51 -0.07 0.02 0.00 0.00 177.57 178.50 3kgd h LEU 103 N 0.44 0.87 -1.92 2.57 3.38 -1.23 -1.86 115.31 117.56 3kgd h LEU 103 Ca 0.07 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3kgd h LEU 103 Cb 0.67 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3kgd h LEU 103 CO 0.05 0.62 0.26 -0.61 0.09 0.00 0.00 178.44 178.84 3kgd h GLN 104 N 1.03 0.09 -0.00 1.13 4.15 -0.70 0.32 115.11 121.13 3kgd h GLN 104 Ca 0.30 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.64 3kgd h GLN 104 Cb -0.07 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.60 3kgd h GLN 104 CO -0.08 0.06 -0.25 1.15 -1.93 0.00 0.00 178.83 177.78 3kgd h THR 105 N 0.10 1.54 0.00 2.39 2.02 -1.03 -3.39 112.91 114.54 3kgd h THR 105 Ca 0.17 -1.95 -0.26 0.00 0.77 0.00 0.00 66.41 65.15 3kgd h THR 105 Cb 0.56 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 69.68 3kgd h THR 105 CO -0.02 0.53 -1.88 1.33 0.37 0.00 0.00 175.52 175.86 3kgd n VAL 106 N -4.50 1.29 -0.36 3.16 0.24 -0.93 -4.09 118.33 113.15 3kgd n VAL 106 Ca -0.10 -0.76 -0.03 0.00 -2.04 0.00 0.00 64.34 61.41 3kgd n VAL 106 Cb 0.51 -0.68 0.10 0.00 -1.47 0.00 0.00 33.84 32.30 3kgd n VAL 106 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3kgd h LEU 107 N 0.00 1.14 -1.40 1.34 3.38 -1.14 -2.27 115.31 116.37 3kgd h LEU 107 Ca -0.32 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 3kgd h LEU 107 Cb 1.89 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3kgd h LEU 107 CO 0.05 0.88 -0.18 -0.65 0.09 0.00 0.00 178.44 178.62 3kgd h PRO 108 N 1.31 0.17 -0.49 1.13 0.11 -1.78 -0.50 132.00 131.96 3kgd h PRO 108 Ca 0.34 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.33 3kgd h PRO 108 Cb -0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3kgd h PRO 108 CO -0.06 0.35 -0.03 0.00 -0.21 0.00 0.00 178.00 178.05 3kgd h ALA 109 N 1.66 1.03 0.00 -0.75 0.00 -1.66 -2.67 119.26 116.88 3kgd h ALA 109 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kgd h ALA 109 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kgd h ALA 109 CO 0.03 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 3kgd h LEU 110 N 0.77 0.00 -1.81 0.00 3.38 -0.81 0.35 115.31 117.19 3kgd h LEU 110 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3kgd h LEU 110 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kgd h LEU 110 CO 0.03 0.00 0.00 -0.50 0.09 0.00 0.00 178.44 178.06 3kgd h TRP 111 N 0.00 0.00 -0.09 1.13 6.55 -0.98 -2.62 115.95 119.94 3kgd h TRP 111 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3kgd h TRP 111 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 3kgd h TRP 111 CO 0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.44 178.58 3kgd n PHE 112 N -2.61 0.20 -1.47 0.49 3.01 0.10 -1.02 117.46 116.16 3kgd n PHE 112 Ca -0.01 -0.70 -0.29 0.00 1.01 0.00 0.00 57.45 57.46 3kgd n PHE 112 Cb 0.11 -0.11 0.14 0.00 -0.01 0.00 0.00 39.48 39.61 3kgd n PHE 112 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kgd s ALA 113 N -1.80 1.61 -2.39 4.37 0.00 -0.99 -4.94 121.76 117.61 3kgd s ALA 113 Ca 0.19 -0.51 0.22 0.00 0.00 0.00 0.00 51.96 51.86 3kgd s ALA 113 Cb 0.15 -3.04 0.67 0.00 0.00 0.00 0.00 23.12 20.90 3kgd s ALA 113 CO 0.05 -2.41 1.52 -0.25 0.00 0.00 0.00 175.76 174.67 3kgd n ASP 114 N -3.85 2.13 -2.57 0.00 9.92 -1.26 -4.73 116.55 116.19 3kgd n ASP 114 Ca 0.06 -1.77 -0.09 0.00 -0.53 0.00 0.00 54.79 52.47 3kgd n ASP 114 Cb 0.59 -0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 3kgd n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kgd n GLY 115 N 1.23 1.37 3.77 0.44 0.00 -1.26 -5.02 105.19 105.72 3kgd n GLY 115 Ca 0.17 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 3kgd n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgd s PRO 116 N -2.21 3.05 0.14 1.61 0.05 -1.26 -4.43 135.00 131.95 3kgd s PRO 116 Ca 0.16 1.54 0.03 0.00 0.05 0.00 0.00 61.00 62.78 3kgd s PRO 116 Cb -0.03 -1.97 -0.04 0.00 0.05 0.00 0.00 34.50 32.50 3kgd s PRO 116 CO 0.12 -1.08 -0.06 -1.12 0.05 0.00 0.00 177.00 174.91 3kgd s SER 117 N -2.12 1.47 -0.04 6.66 0.01 -0.61 -2.77 113.70 116.31 3kgd s SER 117 Ca 0.71 -1.06 0.02 0.00 1.31 0.00 0.00 55.95 56.93 3kgd s SER 117 Cb -0.23 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3kgd s SER 117 CO 0.34 -0.44 -0.10 -0.60 0.41 0.00 0.00 173.24 172.86 3kgd s ARG 118 N -3.82 1.14 -0.10 12.44 3.52 -0.04 -0.88 118.95 131.21 3kgd s ARG 118 Ca 0.17 -0.33 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3kgd s ARG 118 Cb 0.04 -1.03 0.01 0.00 -1.56 0.00 0.00 34.95 32.41 3kgd s ARG 118 CO 0.00 0.09 -0.16 0.08 -0.81 0.00 0.00 175.30 174.50 3kgd s VAL 119 N 0.33 1.55 -0.09 7.11 1.01 0.01 -0.68 120.40 129.64 3kgd s VAL 119 Ca -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3kgd s VAL 119 Cb -0.11 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3kgd s VAL 119 CO 0.01 0.45 -0.19 -0.70 0.00 0.00 0.00 175.10 174.67 3kgd s GLU 120 N 0.86 2.94 -0.04 2.72 2.12 -0.43 -0.35 118.70 126.54 3kgd s GLU 120 Ca -0.09 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.49 3kgd s GLU 120 Cb -0.15 -2.39 -0.00 0.00 0.26 0.00 0.00 34.13 31.84 3kgd s GLU 120 CO 0.00 0.32 -0.15 0.08 -0.54 0.00 0.00 175.26 174.97 3kgd s VAL 121 N 0.03 1.27 0.12 3.70 1.01 0.10 -0.93 120.40 125.70 3kgd s VAL 121 Ca -0.07 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3kgd s VAL 121 Cb -0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3kgd s VAL 121 CO 0.05 0.37 0.02 -0.94 0.00 0.00 0.00 175.10 174.60 3kgd s SER 122 N 0.03 5.08 0.00 3.32 1.04 -0.42 -1.07 113.70 121.67 3kgd s SER 122 Ca -0.02 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3kgd s SER 122 Cb -0.10 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.81 3kgd s SER 122 CO 0.01 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.98 3kgd n GLY 123 N 0.27 0.16 3.82 7.32 0.00 -0.38 -1.26 105.19 115.12 3kgd n GLY 123 Ca -0.10 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 3kgd n GLY 123 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kgd s GLY 124 N 0.00 2.51 0.00 -0.02 0.00 1.00 -0.45 107.32 110.36 3kgd s GLY 124 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.90 3kgd s GLY 124 CO 0.00 0.48 0.05 -1.30 0.00 0.00 0.00 173.10 172.33 3kgd n THR 125 N 0.18 0.00 -2.55 0.90 -2.24 -0.21 -1.28 114.28 109.08 3kgd n THR 125 Ca 0.01 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.23 3kgd n THR 125 Cb 0.52 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 3kgd n THR 125 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kgd n ASP 126 N -0.82 2.75 -4.86 3.42 8.00 -1.25 -4.59 116.55 119.19 3kgd n ASP 126 Ca 0.00 -2.71 -0.34 0.00 0.71 0.00 0.00 54.79 52.45 3kgd n ASP 126 Cb 0.00 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3kgd n ASP 126 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kgd s ASN 127 N -3.66 6.69 0.91 -2.24 0.01 -1.26 -4.84 114.94 110.55 3kgd s ASN 127 Ca 0.35 0.91 -0.12 0.00 -0.71 0.00 0.00 52.86 53.29 3kgd s ASN 127 Cb 0.37 -2.22 0.14 0.00 0.41 0.00 0.00 41.25 39.94 3kgd s ASN 127 CO -0.02 0.07 1.14 -2.84 -1.51 0.00 0.00 177.10 173.95 3kgd s PRO 128 N -2.23 1.13 -0.93 -0.60 0.02 -1.26 -4.02 135.00 127.11 3kgd s PRO 128 Ca 0.39 0.26 0.00 0.00 0.02 0.00 0.00 61.00 61.67 3kgd s PRO 128 Cb -0.13 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.55 3kgd s PRO 128 CO 0.20 -2.20 0.00 0.43 -0.33 0.00 0.00 177.00 175.10 3kgd n SER 129 N -3.76 -3.94 -3.66 2.53 7.64 -1.26 -5.01 113.62 106.16 3kgd n SER 129 Ca 0.07 0.19 -0.14 0.00 1.01 0.00 0.00 58.87 59.99 3kgd n SER 129 Cb 0.59 -2.37 -0.07 0.00 -1.01 0.00 0.00 64.21 61.35 3kgd n SER 129 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kgd s ALA 130 N -2.35 -1.13 -0.00 -0.43 0.00 -1.26 -5.06 121.76 111.53 3kgd s ALA 130 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 3kgd s ALA 130 Cb 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3kgd s ALA 130 CO 0.00 -0.36 1.12 -1.25 0.00 0.00 0.00 175.76 175.27 3kgd s PRO 131 N -1.70 4.45 0.49 0.00 0.04 -1.26 -4.92 135.00 132.09 3kgd s PRO 131 Ca -0.10 1.61 -0.23 0.00 0.04 0.00 0.00 61.00 62.32 3kgd s PRO 131 Cb -0.02 -3.45 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 3kgd s PRO 131 CO 0.03 -0.25 1.28 -2.14 0.04 0.00 0.00 177.00 175.96 3kgd s PRO 132 N 1.42 3.52 0.33 0.56 0.02 -1.26 -4.72 135.00 134.87 3kgd s PRO 132 Ca 0.55 2.06 0.09 0.00 0.02 0.00 0.00 61.00 63.72 3kgd s PRO 132 Cb -0.25 -2.40 0.82 0.00 0.02 0.00 0.00 34.50 32.69 3kgd s PRO 132 CO 0.26 -0.83 1.80 0.00 -0.33 0.00 0.00 177.00 177.89 3kgd h ALA 133 N 1.89 1.80 0.00 -1.55 0.00 -1.94 -0.21 119.26 119.26 3kgd h ALA 133 Ca -0.50 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3kgd h ALA 133 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kgd h ALA 133 CO 0.59 -0.15 -0.28 -0.44 0.00 0.00 0.00 179.25 178.97 3kgd h ASP 134 N 0.69 0.00 -0.14 0.00 3.32 -1.95 -0.16 116.42 118.18 3kgd h ASP 134 Ca 0.55 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 3kgd h ASP 134 Cb 0.96 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3kgd h ASP 134 CO -0.33 0.28 -0.03 0.15 -1.72 0.00 0.00 179.24 177.59 3kgd h PHE 135 N 0.00 0.30 -0.51 4.55 3.04 -1.42 -0.36 116.94 122.54 3kgd h PHE 135 Ca -0.00 -0.06 0.02 0.00 3.98 0.00 0.00 57.97 61.90 3kgd h PHE 135 Cb 0.49 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 3kgd h PHE 135 CO 0.00 0.54 0.32 0.82 -2.02 0.00 0.00 178.31 177.97 3kgd h ILE 136 N -0.03 1.08 -0.38 1.41 1.08 -1.08 -0.01 117.51 119.58 3kgd h ILE 136 Ca 0.04 -0.22 -0.11 0.00 -0.39 0.00 0.00 64.86 64.18 3kgd h ILE 136 Cb 0.44 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 3kgd h ILE 136 CO 0.01 0.12 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.32 3kgd h ARG 137 N 0.64 0.79 0.00 2.37 2.43 -0.99 0.84 114.38 120.46 3kgd h ARG 137 Ca 0.20 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3kgd h ARG 137 Cb -0.02 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3kgd h ARG 137 CO -0.07 0.97 -1.21 0.54 -1.51 0.00 0.00 179.97 178.69 3kgd n ARG 138 N -4.27 1.06 -0.01 0.20 1.74 -0.15 -4.33 116.66 110.90 3kgd n ARG 138 Ca -0.02 -0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 56.94 3kgd n ARG 138 Cb 0.42 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 3kgd n ARG 138 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3kgd n VAL 139 N -1.69 0.98 -0.05 1.55 0.31 -0.08 -4.77 118.33 114.58 3kgd n VAL 139 Ca 0.01 0.14 -0.14 0.00 -0.01 0.00 0.00 64.34 64.34 3kgd n VAL 139 Cb 0.34 -1.74 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 3kgd n VAL 139 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3kgd h LEU 140 N -0.31 -0.00 -1.20 7.52 5.85 -1.29 -3.34 115.31 122.54 3kgd h LEU 140 Ca -0.09 -0.81 0.06 0.00 0.84 0.00 0.00 57.88 57.88 3kgd h LEU 140 Cb 0.67 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3kgd h LEU 140 CO -0.05 0.81 0.56 -0.33 -0.34 0.00 0.00 178.44 179.09 3kgd h GLU 141 N -0.81 0.94 -0.23 1.25 5.08 -1.02 0.18 114.58 119.96 3kgd h GLU 141 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3kgd h GLU 141 Cb 0.81 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3kgd h GLU 141 CO 0.00 0.62 0.10 -1.35 -1.00 0.00 0.00 179.01 177.38 3kgd h PRO 142 N 0.97 0.32 0.21 2.33 0.11 -1.78 0.10 132.00 134.26 3kgd h PRO 142 Ca 0.37 -0.03 -0.32 0.00 0.11 0.00 0.00 66.00 66.13 3kgd h PRO 142 Cb 0.20 -0.07 0.04 0.00 0.11 0.00 0.00 31.00 31.28 3kgd h PRO 142 CO -0.13 0.26 -1.38 -0.07 -0.21 0.00 0.00 178.00 176.46 3kgd h LEU 143 N 0.32 0.85 -0.83 2.35 3.38 -1.36 -2.74 115.31 117.29 3kgd h LEU 143 Ca 0.08 -0.89 0.11 0.00 0.09 0.00 0.00 57.88 57.27 3kgd h LEU 143 Cb 0.05 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 3kgd h LEU 143 CO -0.01 1.67 0.46 -0.07 0.09 0.00 0.00 178.44 180.58 3kgd h LEU 144 N 0.17 0.64 -0.68 1.67 3.38 -0.69 -1.77 115.31 118.03 3kgd h LEU 144 Ca -0.23 0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kgd h LEU 144 Cb 2.07 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.72 3kgd h LEU 144 CO 0.26 0.35 0.43 0.00 0.09 0.00 0.00 178.44 179.56 3kgd h ALA 145 N 1.48 0.88 -0.72 1.53 0.00 -0.56 -0.24 119.26 121.62 3kgd h ALA 145 Ca 0.41 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3kgd h ALA 145 Cb 0.43 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3kgd h ALA 145 CO -0.27 0.20 0.48 0.87 0.00 0.00 0.00 179.25 180.53 3kgd h LYS 146 N 0.84 0.77 0.00 0.00 1.57 -1.03 -1.50 116.57 117.22 3kgd h LYS 146 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kgd h LYS 146 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3kgd h LYS 146 CO -0.10 0.51 0.00 -0.89 -0.57 0.00 0.00 179.45 178.40 3kgd n ILE 147 N -4.47 0.39 0.00 1.86 5.41 -0.48 -4.52 119.36 117.55 3kgd n ILE 147 Ca 0.10 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3kgd n ILE 147 Cb 0.19 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 3kgd n ILE 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kgd n GLY 148 N 1.04 0.91 3.54 7.39 0.00 -0.56 -0.85 105.19 116.66 3kgd n GLY 148 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3kgd n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgd s ILE 149 N -2.00 4.52 -0.26 -0.61 1.01 -0.22 -4.47 121.20 119.16 3kgd s ILE 149 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.53 3kgd s ILE 149 Cb 0.00 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.45 3kgd s ILE 149 CO 0.00 0.41 -0.07 -1.00 0.00 0.00 0.00 174.94 174.27 3kgd s HIS 150 N 0.92 3.17 -0.06 3.97 3.76 -1.26 -2.31 115.29 123.48 3kgd s HIS 150 Ca 0.03 -1.91 -0.03 0.00 -0.15 0.00 0.00 55.06 53.00 3kgd s HIS 150 Cb -0.14 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.56 3kgd s HIS 150 CO 0.03 -0.81 0.13 -1.14 -0.85 0.00 0.00 174.74 172.10 3kgd s GLN 151 N 1.23 0.11 -0.14 1.40 0.74 -1.26 -1.99 119.66 119.75 3kgd s GLN 151 Ca -0.04 0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.66 3kgd s GLN 151 Cb -0.18 -0.09 0.03 0.00 1.10 0.00 0.00 33.01 33.87 3kgd s GLN 151 CO -0.04 -0.11 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.36 3kgd s GLN 152 N 0.75 1.68 -0.12 1.67 0.74 0.32 -4.91 119.66 119.80 3kgd s GLN 152 Ca -0.06 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.91 3kgd s GLN 152 Cb -0.07 -1.83 -0.03 0.00 1.10 0.00 0.00 33.01 32.17 3kgd s GLN 152 CO -0.04 -0.31 0.03 0.99 -0.55 0.00 0.00 175.29 175.42 3kgd s THR 153 N 1.63 4.54 -0.04 -0.34 2.01 -1.26 -1.19 115.64 120.98 3kgd s THR 153 Ca 0.04 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.90 3kgd s THR 153 Cb -0.13 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.44 3kgd s THR 153 CO -0.09 0.57 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.46 3kgd s THR 154 N -0.56 0.68 -0.18 -0.82 2.01 0.58 -4.69 115.64 112.66 3kgd s THR 154 Ca 0.10 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.62 3kgd s THR 154 Cb -0.12 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3kgd s THR 154 CO 0.02 0.25 0.79 -0.22 -0.69 0.00 0.00 174.62 174.77 3kgd s LEU 155 N 0.70 4.16 -0.16 4.42 0.20 -1.26 -1.24 118.68 125.50 3kgd s LEU 155 Ca -0.11 1.09 0.10 0.00 0.69 0.00 0.00 54.13 55.90 3kgd s LEU 155 Cb -0.13 -3.16 -0.23 0.00 -0.43 0.00 0.00 46.19 42.24 3kgd s LEU 155 CO 0.01 -0.38 0.19 0.18 -0.29 0.00 0.00 176.35 176.06 3kgd n LEU 156 N 5.25 1.26 -3.69 -0.68 4.77 0.57 -4.96 117.00 119.53 3kgd n LEU 156 Ca 0.03 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 3kgd n LEU 156 Cb 0.49 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3kgd n LEU 156 CO 0.47 0.62 0.22 -0.60 -1.33 0.00 0.00 177.39 176.77 3kgd s ARG 157 N -2.53 0.62 0.36 3.23 3.52 -0.96 -4.91 118.95 118.27 3kgd s ARG 157 Ca -0.16 0.78 -0.25 0.00 -0.13 0.00 0.00 55.73 55.97 3kgd s ARG 157 Cb 0.07 0.27 -0.09 0.00 -1.56 0.00 0.00 34.95 33.64 3kgd s ARG 157 CO 0.77 -0.09 1.01 -1.01 -0.81 0.00 0.00 175.30 175.17 3kgd s HIS 158 N 0.44 3.48 -0.28 5.12 3.76 -1.26 -0.33 115.29 126.22 3kgd s HIS 158 Ca -0.01 1.71 -0.03 0.00 -0.15 0.00 0.00 55.06 56.58 3kgd s HIS 158 Cb -0.04 -3.04 0.09 0.00 1.11 0.00 0.00 32.58 30.70 3kgd s HIS 158 CO -0.01 -0.24 0.11 0.20 -0.85 0.00 0.00 174.74 173.94 3kgd s GLY 159 N -1.54 0.72 0.30 -2.22 0.00 -1.26 -3.93 107.32 99.39 3kgd s GLY 159 Ca 0.53 -1.24 -0.13 0.00 0.00 0.00 0.00 44.72 43.89 3kgd s GLY 159 CO 0.27 1.83 0.69 -1.36 0.00 0.00 0.00 173.10 174.52 3kgd s PHE 160 N 1.90 3.39 0.22 1.90 0.08 -1.26 -1.04 117.98 123.17 3kgd s PHE 160 Ca 0.08 1.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.95 3kgd s PHE 160 Cb -0.17 -2.46 -0.09 0.00 -0.57 0.00 0.00 43.02 39.74 3kgd s PHE 160 CO -0.29 0.12 1.27 -0.47 -0.10 0.00 0.00 175.22 175.75 3kgd s TYR 161 N -1.97 3.29 -0.98 0.36 5.04 -1.26 -1.03 117.35 120.81 3kgd s TYR 161 Ca 0.52 1.34 0.16 0.00 -2.44 0.00 0.00 57.07 56.65 3kgd s TYR 161 Cb -0.10 -3.55 0.51 0.00 0.35 0.00 0.00 41.96 39.17 3kgd s TYR 161 CO 0.19 -1.61 1.43 -0.35 -1.34 0.00 0.00 175.55 173.88 3kgd n PRO 162 N 2.19 3.12 0.14 4.97 -0.04 -1.26 -4.92 135.00 139.19 3kgd n PRO 162 Ca 0.04 -2.52 0.03 0.00 -0.04 0.00 0.00 63.50 61.01 3kgd n PRO 162 Cb 0.43 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.33 3kgd n PRO 162 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgd h ALA 163 N 2.87 0.69 -0.96 0.55 0.00 -1.64 -3.42 119.26 117.35 3kgd h ALA 163 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kgd h ALA 163 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kgd h ALA 163 CO 0.11 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.36 3kgd n GLY 164 N 1.22 2.31 2.09 0.00 0.00 -0.19 -4.84 105.19 105.78 3kgd n GLY 164 Ca 0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.60 3kgd n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgd n GLY 165 N 0.00 0.47 3.85 -0.02 0.00 -1.21 -4.06 105.19 104.23 3kgd n GLY 165 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3kgd n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kgd s GLY 166 N -2.26 1.66 -0.05 -0.02 0.00 0.41 -4.66 107.32 102.41 3kgd s GLY 166 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 3kgd s GLY 166 CO 0.00 0.24 0.09 0.14 0.00 0.00 0.00 173.10 173.58 3kgd s VAL 167 N -3.15 -0.08 -0.03 1.40 1.01 0.55 -1.25 120.40 118.86 3kgd s VAL 167 Ca 0.57 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.83 3kgd s VAL 167 Cb -0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3kgd s VAL 167 CO 0.54 0.10 -0.18 -0.69 0.00 0.00 0.00 175.10 174.87 3kgd s VAL 168 N 1.34 1.48 0.05 2.92 1.01 -0.23 -0.31 120.40 126.65 3kgd s VAL 168 Ca -0.07 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3kgd s VAL 168 Cb -0.12 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3kgd s VAL 168 CO -0.04 0.42 -0.16 0.00 0.00 0.00 0.00 175.10 175.31 3kgd s ALA 169 N -0.21 1.37 -0.05 5.51 0.00 -0.37 -0.72 121.76 127.29 3kgd s ALA 169 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3kgd s ALA 169 Cb -0.09 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3kgd s ALA 169 CO 0.01 0.27 -0.12 0.99 0.00 0.00 0.00 175.76 176.90 3kgd s THR 170 N -0.92 1.09 -0.16 0.00 2.01 0.53 -0.31 115.64 117.87 3kgd s THR 170 Ca 0.03 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 3kgd s THR 170 Cb -0.09 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 3kgd s THR 170 CO 0.02 0.33 0.24 -1.61 -0.69 0.00 0.00 174.62 172.91 3kgd s GLU 171 N 0.40 4.14 0.05 4.92 0.41 -0.34 -0.81 118.70 127.48 3kgd s GLU 171 Ca -0.09 0.00 0.05 0.00 -0.41 0.00 0.00 54.97 54.53 3kgd s GLU 171 Cb -0.13 -3.39 -0.02 0.00 -1.78 0.00 0.00 34.13 28.81 3kgd s GLU 171 CO 0.02 0.33 -0.14 0.14 -0.49 0.00 0.00 175.26 175.12 3kgd s VAL 172 N 0.22 1.10 0.06 2.63 -7.23 -0.05 -0.52 120.40 116.60 3kgd s VAL 172 Ca 0.14 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.30 3kgd s VAL 172 Cb -0.13 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 3kgd s VAL 172 CO 0.03 -0.09 -0.25 -0.44 -0.31 0.00 0.00 175.10 174.03 3kgd s SER 173 N -1.37 3.29 0.46 4.85 0.01 -0.84 -1.57 113.70 118.53 3kgd s SER 173 Ca 0.00 -0.61 -0.24 0.00 1.31 0.00 0.00 55.95 56.41 3kgd s SER 173 Cb -0.09 -0.32 -0.07 0.00 0.21 0.00 0.00 66.02 65.75 3kgd s SER 173 CO 0.02 0.24 1.32 -2.84 0.41 0.00 0.00 173.24 172.38 3kgd s PRO 174 N -1.46 3.68 0.21 12.44 0.02 -1.26 -4.43 135.00 144.20 3kgd s PRO 174 Ca 0.13 2.16 -0.31 0.00 0.02 0.00 0.00 61.00 63.00 3kgd s PRO 174 Cb -0.10 -2.56 -0.10 0.00 0.02 0.00 0.00 34.50 31.76 3kgd s PRO 174 CO 0.03 -0.74 1.55 0.08 -0.33 0.00 0.00 177.00 177.60 3kgd s VAL 175 N -1.31 2.51 -0.20 3.83 1.01 -0.19 -4.91 120.40 121.14 3kgd s VAL 175 Ca 0.62 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.90 3kgd s VAL 175 Cb -0.38 -3.25 -0.20 0.00 0.00 0.00 0.00 36.38 32.55 3kgd s VAL 175 CO 0.48 0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.68 3kgd n ALA 176 N 3.27 1.05 -3.42 5.51 0.00 -1.26 -5.00 120.51 120.66 3kgd n ALA 176 Ca 0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 3kgd n ALA 176 Cb 0.39 -0.37 -0.10 0.00 0.00 0.00 0.00 19.45 19.36 3kgd n ALA 176 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kgd s SER 177 N -6.96 -0.45 0.20 0.00 0.15 -1.26 -5.16 113.70 100.21 3kgd s SER 177 Ca -0.30 0.85 -0.09 0.00 0.70 0.00 0.00 55.95 57.11 3kgd s SER 177 Cb 0.08 0.82 -0.07 0.00 -1.71 0.00 0.00 66.02 65.15 3kgd s SER 177 CO 0.64 -0.16 0.51 -0.36 1.20 0.00 0.00 173.24 175.07 3kgd s PHE 178 N 0.56 3.46 0.32 3.44 0.08 -1.26 -4.45 117.98 120.12 3kgd s PHE 178 Ca -0.03 0.84 0.10 0.00 0.12 0.00 0.00 56.93 57.96 3kgd s PHE 178 Cb -0.04 -2.22 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 3kgd s PHE 178 CO -0.03 0.33 -0.14 -0.80 -0.10 0.00 0.00 175.22 174.48 3kgd s ASN 179 N -2.27 3.66 -0.25 1.36 0.01 -0.03 -4.96 114.94 112.46 3kgd s ASN 179 Ca 0.45 -1.13 -0.14 0.00 -0.71 0.00 0.00 52.86 51.32 3kgd s ASN 179 Cb -0.12 -0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 3kgd s ASN 179 CO 0.21 -0.11 0.34 -0.89 -1.51 0.00 0.00 177.10 175.15 3kgd s THR 180 N -2.58 5.21 -0.21 1.60 2.01 -1.26 -4.63 115.64 115.79 3kgd s THR 180 Ca 0.31 0.53 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 3kgd s THR 180 Cb -0.00 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3kgd s THR 180 CO 0.16 0.20 0.14 -0.22 -0.69 0.00 0.00 174.62 174.21 3kgd s LEU 181 N 1.81 4.19 -0.15 4.42 2.96 -1.26 -4.97 118.68 125.68 3kgd s LEU 181 Ca 0.14 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3kgd s LEU 181 Cb -0.15 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.46 3kgd s LEU 181 CO 0.09 0.16 -0.18 -1.10 -1.32 0.00 0.00 176.35 174.00 3kgd s GLN 182 N 0.48 2.66 0.18 1.98 -0.21 -1.26 -1.38 119.66 122.10 3kgd s GLN 182 Ca 0.08 -0.71 0.09 0.00 0.02 0.00 0.00 55.36 54.85 3kgd s GLN 182 Cb -0.11 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 3kgd s GLN 182 CO -0.01 -0.14 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.31 3kgd s LEU 183 N 1.17 2.45 0.00 2.90 1.43 -0.37 -4.98 118.68 121.28 3kgd s LEU 183 Ca -0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 3kgd s LEU 183 Cb -0.14 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.15 3kgd s LEU 183 CO -0.08 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3kgd n GLY 184 N 0.23 2.40 3.74 -3.19 0.00 -1.26 -3.45 105.19 103.67 3kgd n GLY 184 Ca -0.12 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3kgd n GLY 184 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgd s GLU 185 N 2.65 2.74 0.21 1.61 -1.05 -1.26 -1.25 118.70 122.35 3kgd s GLU 185 Ca 0.00 1.89 0.03 0.00 -0.15 0.00 0.00 54.97 56.73 3kgd s GLU 185 Cb 0.00 -1.89 0.16 0.00 -0.44 0.00 0.00 34.13 31.96 3kgd s GLU 185 CO 0.00 -1.40 1.50 -0.09 0.95 0.00 0.00 175.26 176.22 3kgd h ARG 186 N 0.62 0.27 0.00 -4.83 2.43 -0.95 -3.39 114.38 108.54 3kgd h ARG 186 Ca -0.50 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3kgd h ARG 186 Cb 1.31 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3kgd h ARG 186 CO 0.54 0.85 0.00 0.41 -1.51 0.00 0.00 179.97 180.25 3kgd n GLY 187 N 0.43 -1.38 3.78 2.80 0.00 -1.26 -2.41 105.19 107.16 3kgd n GLY 187 Ca -0.03 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 3kgd n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kgd s ASN 188 N -4.00 5.73 0.16 1.61 0.01 -1.26 -4.65 114.94 112.54 3kgd s ASN 188 Ca 0.00 2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 53.86 3kgd s ASN 188 Cb 0.00 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.02 3kgd s ASN 188 CO 0.00 -1.21 1.24 -0.63 -1.51 0.00 0.00 177.10 174.99 3kgd s ILE 189 N -2.08 3.55 -0.27 0.60 -1.09 -1.26 -0.67 121.20 119.97 3kgd s ILE 189 Ca 0.68 1.24 -0.14 0.00 -2.23 0.00 0.00 60.65 60.20 3kgd s ILE 189 Cb -0.20 -3.79 -0.13 0.00 -1.58 0.00 0.00 42.46 36.76 3kgd s ILE 189 CO 0.31 0.17 -0.29 0.52 -1.23 0.00 0.00 174.94 174.42 3kgd n VAL 190 N 2.88 1.53 -3.46 2.92 0.31 0.86 -4.89 118.33 118.48 3kgd n VAL 190 Ca 0.06 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.92 3kgd n VAL 190 Cb 0.44 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 3kgd n VAL 190 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kgd s GLN 191 N -2.49 1.10 -0.05 5.55 -2.07 -0.69 -5.02 119.66 115.98 3kgd s GLN 191 Ca -0.38 -0.33 0.04 0.00 -1.82 0.00 0.00 55.36 52.88 3kgd s GLN 191 Cb 0.14 0.51 -0.02 0.00 -1.09 0.00 0.00 33.01 32.54 3kgd s GLN 191 CO 0.51 -0.47 -0.17 -1.64 -1.32 0.00 0.00 175.29 172.20 3kgd s MET 192 N -3.23 2.54 -0.12 9.60 -1.94 -1.26 -0.98 119.30 123.91 3kgd s MET 192 Ca 0.01 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.24 3kgd s MET 192 Cb -0.01 -2.32 0.02 0.00 2.01 0.00 0.00 34.83 34.53 3kgd s MET 192 CO -0.09 0.54 -0.15 0.50 -0.01 0.00 0.00 175.02 175.81 3kgd s ARG 193 N -0.53 2.25 -0.11 2.03 3.52 -0.01 -1.44 118.95 124.66 3kgd s ARG 193 Ca 0.07 -0.56 -0.06 0.00 -0.13 0.00 0.00 55.73 55.05 3kgd s ARG 193 Cb -0.11 -1.96 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 3kgd s ARG 193 CO 0.01 -0.12 0.11 0.20 -0.81 0.00 0.00 175.30 174.69 3kgd s GLY 194 N 1.15 2.08 0.00 8.12 0.00 0.06 -0.49 107.32 118.24 3kgd s GLY 194 Ca -0.03 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 44.04 3kgd s GLY 194 CO -0.04 -0.42 -0.08 -0.54 0.00 0.00 0.00 173.10 172.01 3kgd s GLU 195 N -0.98 0.66 -0.02 2.90 2.02 -0.08 -0.88 118.70 122.32 3kgd s GLU 195 Ca 0.14 -0.38 0.05 0.00 0.02 0.00 0.00 54.97 54.81 3kgd s GLU 195 Cb -0.12 -0.62 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 3kgd s GLU 195 CO 0.04 0.16 -0.18 0.08 0.02 0.00 0.00 175.26 175.38 3kgd s VAL 196 N -0.37 1.46 -0.16 2.63 1.01 -0.08 -0.93 120.40 123.97 3kgd s VAL 196 Ca 0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3kgd s VAL 196 Cb -0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3kgd s VAL 196 CO -0.00 0.41 -0.07 -0.22 0.00 0.00 0.00 175.10 175.22 3kgd s LEU 197 N -0.31 3.00 -0.02 3.92 2.96 -0.43 -0.84 118.68 126.95 3kgd s LEU 197 Ca 0.04 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3kgd s LEU 197 Cb -0.08 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3kgd s LEU 197 CO 0.00 0.14 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.25 3kgd s LEU 198 N 0.53 2.01 -0.12 -0.68 1.43 0.38 -1.75 118.68 120.47 3kgd s LEU 198 Ca -0.05 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3kgd s LEU 198 Cb -0.15 -0.84 0.06 0.00 0.03 0.00 0.00 46.19 45.29 3kgd s LEU 198 CO 0.03 0.19 0.17 0.00 0.23 0.00 0.00 176.35 176.97 3kgd s ALA 199 N -0.30 -0.13 -1.19 4.21 0.00 -0.16 -1.54 121.76 122.65 3kgd s ALA 199 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3kgd s ALA 199 Cb -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3kgd s ALA 199 CO -0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 3kgd n GLY 200 N 5.32 0.15 2.99 0.00 0.00 -1.26 -1.33 105.19 111.06 3kgd n GLY 200 Ca -0.05 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 3kgd n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgd s VAL 201 N -2.62 0.61 0.55 1.61 1.01 -1.26 -4.79 120.40 115.52 3kgd s VAL 201 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 3kgd s VAL 201 Cb 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3kgd s VAL 201 CO 0.00 0.18 1.35 -2.84 0.00 0.00 0.00 175.10 173.79 3kgd s PRO 202 N -0.07 3.10 0.53 2.72 0.02 -1.26 -4.89 135.00 135.15 3kgd s PRO 202 Ca 0.01 2.21 0.30 0.00 0.02 0.00 0.00 61.00 63.55 3kgd s PRO 202 Cb -0.04 -2.23 1.40 0.00 0.02 0.00 0.00 34.50 33.66 3kgd s PRO 202 CO -0.00 -1.21 2.02 0.00 -0.33 0.00 0.00 177.00 177.48 3kgd h ARG 203 N 1.39 0.00 0.00 5.54 3.08 -2.02 -1.95 114.38 120.43 3kgd h ARG 203 Ca -0.51 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 3kgd h ARG 203 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 3kgd h ARG 203 CO 0.57 0.10 -0.09 1.12 -1.07 0.00 0.00 179.97 180.60 3kgd h HIS 204 N 0.00 0.00 -0.17 3.04 2.07 -2.00 -2.09 115.15 116.00 3kgd h HIS 204 Ca -0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3kgd h HIS 204 Cb 0.45 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 3kgd h HIS 204 CO 0.00 0.09 0.10 0.28 -3.07 0.00 0.00 177.93 175.33 3kgd h VAL 205 N 0.00 1.08 -0.52 6.12 2.07 -1.71 -0.95 116.25 122.34 3kgd h VAL 205 Ca -0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kgd h VAL 205 Cb 0.36 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3kgd h VAL 205 CO 0.01 0.07 0.31 0.00 0.02 0.00 0.00 177.57 177.99 3kgd h ALA 206 N 1.02 0.66 -0.60 1.67 0.00 -1.54 -0.82 119.26 119.65 3kgd h ALA 206 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kgd h ALA 206 Cb 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3kgd h ALA 206 CO -0.01 0.15 0.37 0.93 0.00 0.00 0.00 179.25 180.68 3kgd h GLU 207 N 0.69 0.70 -0.27 0.00 5.08 -1.31 -0.67 114.58 118.81 3kgd h GLU 207 Ca 0.19 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 3kgd h GLU 207 Cb -0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3kgd h GLU 207 CO -0.03 0.46 -0.32 0.00 -1.00 0.00 0.00 179.01 178.12 3kgd h ARG 208 N 0.72 0.56 -0.45 2.33 3.08 -0.96 -2.02 114.38 117.64 3kgd h ARG 208 Ca 0.24 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3kgd h ARG 208 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kgd h ARG 208 CO -0.10 0.81 -0.12 0.93 -1.07 0.00 0.00 179.97 180.42 3kgd h GLU 209 N 0.48 0.88 -0.65 0.04 5.08 -0.74 -2.05 114.58 117.62 3kgd h GLU 209 Ca 0.06 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3kgd h GLU 209 Cb 0.79 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3kgd h GLU 209 CO 0.06 0.99 0.38 0.82 -1.00 0.00 0.00 179.01 180.27 3kgd h ILE 210 N 0.72 1.20 -0.43 3.13 1.08 -1.04 -2.19 117.51 119.97 3kgd h ILE 210 Ca 0.11 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 3kgd h ILE 210 Cb 0.67 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 3kgd h ILE 210 CO 0.05 0.21 0.11 0.00 -0.69 0.00 0.00 178.15 177.83 3kgd h ALA 211 N 1.19 1.39 -0.39 1.87 0.00 -1.27 -0.41 119.26 121.65 3kgd h ALA 211 Ca 0.23 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3kgd h ALA 211 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kgd h ALA 211 CO -0.04 0.44 -0.31 1.15 0.00 0.00 0.00 179.25 180.49 3kgd h THR 212 N 0.62 1.28 -0.13 0.00 2.02 -1.06 -0.65 112.91 114.98 3kgd h THR 212 Ca 0.14 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 3kgd h THR 212 Cb 0.22 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3kgd h THR 212 CO -0.00 0.49 0.07 -0.07 0.37 0.00 0.00 175.52 176.37 3kgd h LEU 213 N 0.71 0.17 -2.31 2.58 3.38 -0.93 -2.63 115.31 116.28 3kgd h LEU 213 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kgd h LEU 213 Cb 0.86 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kgd h LEU 213 CO 0.08 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3kgd h ALA 214 N 0.95 1.69 0.00 1.53 0.00 -0.89 0.33 119.26 122.87 3kgd h ALA 214 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kgd h ALA 214 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kgd h ALA 214 CO -0.01 -0.00 -0.02 0.78 0.00 0.00 0.00 179.25 180.00 3kgd h GLY 215 N 0.00 0.00 0.00 0.00 0.00 -0.73 -3.28 103.07 99.06 3kgd h GLY 215 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3kgd h GLY 215 CO -0.00 0.00 -1.30 1.44 0.00 0.00 0.00 176.54 176.68 3kgd n SER 216 N -3.16 3.82 -4.12 0.19 7.64 -0.25 -5.05 113.62 112.69 3kgd n SER 216 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.70 3kgd n SER 216 Cb 0.21 0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 64.09 3kgd n SER 216 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3kgd s PHE 217 N -2.19 1.01 -0.35 1.43 0.08 -0.06 -5.10 117.98 112.81 3kgd s PHE 217 Ca -0.02 -0.44 -0.28 0.00 0.12 0.00 0.00 56.93 56.31 3kgd s PHE 217 Cb 0.02 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 3kgd s PHE 217 CO 0.20 0.01 1.02 -1.12 -0.10 0.00 0.00 175.22 175.23 3kgd s SER 218 N -1.52 6.80 -0.28 1.36 0.01 -1.26 -4.13 113.70 114.68 3kgd s SER 218 Ca -0.04 0.81 -0.12 0.00 1.31 0.00 0.00 55.95 57.91 3kgd s SER 218 Cb -0.09 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 3kgd s SER 218 CO 0.01 -0.90 0.22 -0.76 0.41 0.00 0.00 173.24 172.22 3kgd s LEU 219 N 3.65 4.03 0.28 2.44 1.43 -1.26 -4.49 118.68 124.75 3kgd s LEU 219 Ca 0.43 0.03 0.15 0.00 -1.03 0.00 0.00 54.13 53.71 3kgd s LEU 219 Cb -0.12 -2.17 0.07 0.00 0.03 0.00 0.00 46.19 44.01 3kgd s LEU 219 CO 0.18 -0.07 1.45 0.45 0.23 0.00 0.00 176.35 178.59 3kgd h HIS 220 N 8.34 0.00 -3.83 0.29 3.86 -1.64 -3.46 115.15 118.72 3kgd h HIS 220 Ca -0.34 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.54 3kgd h HIS 220 Cb 1.19 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.36 3kgd h HIS 220 CO 0.76 0.51 -0.75 -2.00 0.86 0.00 0.00 177.93 177.31 3kgd s GLU 221 N -2.97 0.41 -0.04 2.45 2.12 -1.05 -5.04 118.70 114.58 3kgd s GLU 221 Ca 0.04 -0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.24 3kgd s GLU 221 Cb 0.08 -0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.08 3kgd s GLU 221 CO 0.75 0.07 -0.04 -0.65 -0.54 0.00 0.00 175.26 174.84 3kgd s GLN 222 N 0.06 0.80 -0.07 4.30 -0.21 -1.26 -0.76 119.66 122.52 3kgd s GLN 222 Ca -0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.28 3kgd s GLN 222 Cb -0.04 -0.81 0.02 0.00 1.00 0.00 0.00 33.01 33.18 3kgd s GLN 222 CO -0.00 -0.08 -0.06 -0.80 -2.12 0.00 0.00 175.29 172.23 3kgd s ASN 223 N 0.89 1.56 -0.16 5.90 0.01 -0.05 -4.98 114.94 118.11 3kgd s ASN 223 Ca -0.12 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 3kgd s ASN 223 Cb -0.14 -0.62 0.01 0.00 0.41 0.00 0.00 41.25 40.90 3kgd s ASN 223 CO 0.00 -0.08 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.69 3kgd s ILE 224 N 1.29 2.27 -0.25 0.60 1.01 -1.26 -0.91 121.20 123.95 3kgd s ILE 224 Ca -0.04 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3kgd s ILE 224 Cb -0.14 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.44 3kgd s ILE 224 CO -0.02 0.53 -0.09 -2.28 0.00 0.00 0.00 174.94 173.07 3kgd s HIS 225 N 1.00 3.13 -0.40 3.97 2.46 -0.02 -4.98 115.29 120.45 3kgd s HIS 225 Ca -0.02 -1.92 -0.11 0.00 0.47 0.00 0.00 55.06 53.48 3kgd s HIS 225 Cb -0.15 -1.99 0.05 0.00 -0.13 0.00 0.00 32.58 30.37 3kgd s HIS 225 CO -0.05 -0.81 0.24 -0.80 -2.47 0.00 0.00 174.74 170.85 3kgd s ASN 226 N 1.22 5.72 0.87 9.88 0.01 -1.26 -0.47 114.94 130.91 3kgd s ASN 226 Ca -0.03 -1.25 -0.11 0.00 -0.71 0.00 0.00 52.86 50.76 3kgd s ASN 226 Cb -0.18 -2.02 0.12 0.00 0.41 0.00 0.00 41.25 39.58 3kgd s ASN 226 CO -0.06 -0.47 1.10 -0.76 -1.51 0.00 0.00 177.10 175.40 3kgd s LEU 227 N 1.50 2.58 0.48 0.60 1.43 -0.59 -4.97 118.68 119.72 3kgd s LEU 227 Ca 0.02 1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 54.71 3kgd s LEU 227 Cb -0.21 -4.25 -0.15 0.00 0.03 0.00 0.00 46.19 41.60 3kgd s LEU 227 CO 0.05 -2.63 -0.08 -2.65 0.23 0.00 0.00 176.35 171.27 3kgd n PRO 228 N -3.90 0.00 -1.67 1.29 -0.02 -1.26 -4.74 135.00 124.70 3kgd n PRO 228 Ca 0.09 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.10 3kgd n PRO 228 Cb 0.54 -1.00 -0.04 0.00 -0.02 0.00 0.00 33.50 32.98 3kgd n PRO 228 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3kgd n ARG 229 N 1.47 2.21 -2.81 -0.52 0.00 -1.26 -2.20 116.66 113.55 3kgd n ARG 229 Ca 0.09 0.80 -0.20 0.00 -0.00 0.00 0.00 57.85 58.53 3kgd n ARG 229 Cb 0.46 -2.59 0.01 0.00 -0.00 0.00 0.00 32.46 30.33 3kgd n ARG 229 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3kgd n ASP 230 N 4.20 -5.20 0.12 2.89 2.03 -1.26 -4.85 116.55 114.49 3kgd n ASP 230 Ca 0.18 -0.14 0.12 0.00 0.52 0.00 0.00 54.79 55.47 3kgd n ASP 230 Cb 0.30 -4.28 0.47 0.00 -0.72 0.00 0.00 41.12 36.88 3kgd n ASP 230 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3kgd n GLN 231 N -3.47 0.20 0.00 -0.67 7.27 -0.94 -4.69 117.38 115.08 3kgd n GLN 231 Ca -0.14 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.30 3kgd n GLN 231 Cb 0.62 -1.84 0.00 0.00 2.41 0.00 0.00 30.24 31.43 3kgd n GLN 231 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kgd n GLY 232 N 0.31 0.60 3.78 1.69 0.00 -1.26 -4.85 105.19 105.46 3kgd n GLY 232 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3kgd n GLY 232 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgd s PRO 233 N 3.91 3.85 -0.10 1.61 0.02 -1.25 -4.96 135.00 138.07 3kgd s PRO 233 Ca 0.00 1.56 -0.32 0.00 0.02 0.00 0.00 61.00 62.26 3kgd s PRO 233 Cb 0.00 -2.32 0.12 0.00 0.02 0.00 0.00 34.50 32.33 3kgd s PRO 233 CO 0.00 -0.43 1.15 0.20 -0.33 0.00 0.00 177.00 177.60 3kgd s GLY 234 N -1.64 -0.34 -0.29 0.52 0.00 -0.44 -4.88 107.32 100.24 3kgd s GLY 234 Ca 0.64 1.23 -0.14 0.00 0.00 0.00 0.00 44.72 46.44 3kgd s GLY 234 CO 0.27 0.38 0.87 0.21 0.00 0.00 0.00 173.10 174.84 3kgd s ASN 235 N -2.44 -0.73 0.14 1.64 2.47 -1.26 -0.99 114.94 113.77 3kgd s ASN 235 Ca 0.10 1.08 0.06 0.00 0.42 0.00 0.00 52.86 54.51 3kgd s ASN 235 Cb 0.00 1.60 -0.04 0.00 -1.45 0.00 0.00 41.25 41.36 3kgd s ASN 235 CO -0.05 -0.16 -0.13 0.42 -3.72 0.00 0.00 177.10 173.46 3kgd s THR 236 N 2.05 1.34 -0.02 -5.21 -4.23 -0.72 -0.38 115.64 108.48 3kgd s THR 236 Ca -0.07 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 3kgd s THR 236 Cb -0.06 -1.65 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 3kgd s THR 236 CO -0.17 -0.50 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.60 3kgd s VAL 237 N -2.46 0.94 0.07 2.29 1.01 -0.45 -1.32 120.40 120.47 3kgd s VAL 237 Ca 0.12 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3kgd s VAL 237 Cb -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3kgd s VAL 237 CO 0.03 0.28 -0.07 -0.44 0.00 0.00 0.00 175.10 174.89 3kgd s SER 238 N -0.05 1.03 -0.05 3.32 0.01 -0.10 -1.04 113.70 116.82 3kgd s SER 238 Ca 0.00 -0.77 -0.00 0.00 1.31 0.00 0.00 55.95 56.49 3kgd s SER 238 Cb -0.07 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.24 3kgd s SER 238 CO 0.00 -0.32 -0.00 -0.22 0.41 0.00 0.00 173.24 173.11 3kgd s LEU 239 N -2.28 0.94 -0.17 2.44 1.98 -0.21 -0.90 118.68 120.49 3kgd s LEU 239 Ca 0.01 -0.06 -0.06 0.00 -2.89 0.00 0.00 54.13 51.13 3kgd s LEU 239 Cb -0.03 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.45 3kgd s LEU 239 CO -0.02 -0.13 0.04 -0.70 -1.89 0.00 0.00 176.35 173.65 3kgd s GLU 240 N 1.38 3.83 -0.34 1.98 2.12 0.36 -1.01 118.70 127.01 3kgd s GLU 240 Ca -0.04 -0.38 -0.02 0.00 0.36 0.00 0.00 54.97 54.88 3kgd s GLU 240 Cb -0.13 -3.11 0.07 0.00 0.26 0.00 0.00 34.13 31.22 3kgd s GLU 240 CO -0.02 0.31 0.08 0.08 -0.54 0.00 0.00 175.26 175.17 3kgd s VAL 241 N 0.25 3.15 -0.29 3.70 1.01 0.47 -0.83 120.40 127.86 3kgd s VAL 241 Ca 0.02 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 3kgd s VAL 241 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3kgd s VAL 241 CO 0.01 -0.33 0.48 -0.70 0.00 0.00 0.00 175.10 174.56 3kgd s GLU 242 N 1.22 3.91 0.49 2.72 2.12 -0.15 -1.25 118.70 127.76 3kgd s GLU 242 Ca 0.00 0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.47 3kgd s GLU 242 Cb -0.21 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.46 3kgd s GLU 242 CO -0.02 -0.43 0.10 -1.12 -0.54 0.00 0.00 175.26 173.25 3kgd s SER 243 N 1.64 4.22 0.34 -1.70 0.01 0.07 -0.09 113.70 118.18 3kgd s SER 243 Ca 0.19 -1.47 0.04 0.00 1.31 0.00 0.00 55.95 56.03 3kgd s SER 243 Cb -0.16 0.24 0.68 0.00 0.21 0.00 0.00 66.02 66.99 3kgd s SER 243 CO 0.11 -0.80 1.92 -0.33 0.41 0.00 0.00 173.24 174.55 3kgd h GLU 244 N 1.31 0.82 -0.01 12.44 5.08 -0.97 -3.20 114.58 130.07 3kgd h GLU 244 Ca -0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3kgd h GLU 244 Cb 1.29 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kgd h GLU 244 CO 0.72 0.54 -0.40 0.09 -1.00 0.00 0.00 179.01 178.96 3kgd n ASN 245 N -4.50 1.13 -3.53 1.42 3.02 -1.01 -5.03 115.26 106.76 3kgd n ASN 245 Ca 0.13 -1.07 -0.08 0.00 -0.03 0.00 0.00 54.58 53.54 3kgd n ASN 245 Cb 0.27 0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 40.08 3kgd n ASN 245 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3kgd s ILE 246 N -1.87 0.00 -0.13 2.41 2.07 -1.21 -5.04 121.20 117.43 3kgd s ILE 246 Ca 0.09 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.32 3kgd s ILE 246 Cb 0.10 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.68 3kgd s ILE 246 CO 0.41 0.00 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.45 3kgd s THR 247 N -2.88 3.30 0.27 4.00 2.01 -1.26 -0.75 115.64 120.32 3kgd s THR 247 Ca 0.06 -0.58 0.09 0.00 0.31 0.00 0.00 61.69 61.57 3kgd s THR 247 Cb -0.01 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 3kgd s THR 247 CO -0.08 0.52 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.63 3kgd s GLU 248 N 0.29 1.58 -0.02 4.92 0.41 -0.38 -4.69 118.70 120.81 3kgd s GLU 248 Ca -0.08 -1.75 -0.03 0.00 -0.41 0.00 0.00 54.97 52.70 3kgd s GLU 248 Cb -0.15 -1.45 0.00 0.00 -1.78 0.00 0.00 34.13 30.76 3kgd s GLU 248 CO 0.05 0.19 0.07 1.03 -0.49 0.00 0.00 175.26 176.12 3kgd s ARG 249 N -3.61 0.17 0.08 1.61 0.52 -1.26 -0.39 118.95 116.06 3kgd s ARG 249 Ca 0.28 -0.03 0.06 0.00 -0.52 0.00 0.00 55.73 55.51 3kgd s ARG 249 Cb -0.01 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.50 3kgd s ARG 249 CO 0.12 -0.03 -0.15 -0.06 0.02 0.00 0.00 175.30 175.20 3kgd s PHE 250 N -0.30 1.33 0.10 -0.53 0.08 -0.18 -4.99 117.98 113.49 3kgd s PHE 250 Ca -0.04 -0.47 -0.11 0.00 0.12 0.00 0.00 56.93 56.43 3kgd s PHE 250 Cb -0.03 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 3kgd s PHE 250 CO 0.00 0.09 0.27 -0.59 -0.10 0.00 0.00 175.22 174.89 3kgd s PHE 251 N -1.41 0.02 0.04 0.36 -0.12 -1.26 -1.04 117.98 114.56 3kgd s PHE 251 Ca 0.01 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.51 3kgd s PHE 251 Cb -0.09 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 3kgd s PHE 251 CO 0.03 -0.60 -0.08 0.54 -0.05 0.00 0.00 175.22 175.06 3kgd s VAL 252 N -3.84 0.54 -0.20 -2.49 0.11 -0.21 -4.97 120.40 109.35 3kgd s VAL 252 Ca 0.04 -1.08 -0.08 0.00 -2.93 0.00 0.00 61.98 57.94 3kgd s VAL 252 Cb 0.04 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 3kgd s VAL 252 CO -0.11 -0.38 0.07 -0.69 -3.33 0.00 0.00 175.10 170.66 3kgd s VAL 253 N -1.38 4.77 0.33 2.04 1.01 -1.26 -1.35 120.40 124.57 3kgd s VAL 253 Ca -0.10 -0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 3kgd s VAL 253 Cb -0.10 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 3kgd s VAL 253 CO 0.00 0.43 1.12 -0.83 0.00 0.00 0.00 175.10 175.82 3kgd s GLY 254 N 0.64 2.96 0.26 4.51 0.00 0.49 -5.00 107.32 111.19 3kgd s GLY 254 Ca 0.04 0.91 0.11 0.00 0.00 0.00 0.00 44.72 45.78 3kgd s GLY 254 CO 0.01 1.46 -0.16 -0.54 0.00 0.00 0.00 173.10 173.88 3kgd s GLU 255 N -1.85 1.81 0.31 2.90 0.41 -1.26 -4.65 118.70 116.37 3kgd s GLU 255 Ca 0.50 -1.63 -0.29 0.00 -0.41 0.00 0.00 54.97 53.13 3kgd s GLU 255 Cb -0.30 -1.89 -0.12 0.00 -1.78 0.00 0.00 34.13 30.04 3kgd s GLU 255 CO 0.39 0.35 1.48 0.36 -0.49 0.00 0.00 175.26 177.35 3kgd n LYS 256 N -0.52 2.45 -1.00 1.61 2.85 -1.26 -2.47 118.16 119.82 3kgd n LYS 256 Ca -0.07 0.87 0.00 0.00 -1.05 0.00 0.00 58.31 58.06 3kgd n LYS 256 Cb 0.59 -2.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 3kgd n LYS 256 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3kgd n ARG 257 N 1.46 -0.01 -3.96 -1.58 0.00 -1.26 -5.02 116.66 106.29 3kgd n ARG 257 Ca 0.07 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.57 3kgd n ARG 257 Cb 0.36 -2.87 -0.12 0.00 -0.00 0.00 0.00 32.46 29.83 3kgd n ARG 257 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3kgd s VAL 258 N -2.59 4.21 0.65 8.89 1.01 -1.03 -5.10 120.40 126.45 3kgd s VAL 258 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 3kgd s VAL 258 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3kgd s VAL 258 CO 0.00 0.40 1.22 -0.94 0.00 0.00 0.00 175.10 175.78 3kgd s SER 259 N 1.10 4.80 0.28 3.32 1.04 -1.26 -4.78 113.70 118.20 3kgd s SER 259 Ca 0.03 2.40 0.02 0.00 0.48 0.00 0.00 55.95 58.89 3kgd s SER 259 Cb -0.14 -2.60 0.61 0.00 0.10 0.00 0.00 66.02 63.99 3kgd s SER 259 CO 0.02 -1.86 1.79 0.00 0.98 0.00 0.00 173.24 174.18 3kgd h ALA 260 N 0.44 1.51 -0.35 5.32 0.00 -1.97 -1.22 119.26 122.99 3kgd h ALA 260 Ca -0.50 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3kgd h ALA 260 Cb 1.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3kgd h ALA 260 CO 0.53 0.04 -0.24 0.93 0.00 0.00 0.00 179.25 180.51 3kgd h GLU 261 N 0.81 0.69 -0.51 0.00 3.07 -1.91 -2.28 114.58 114.46 3kgd h GLU 261 Ca 0.52 -0.28 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 3kgd h GLU 261 Cb 0.69 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 3kgd h GLU 261 CO -0.33 0.87 0.13 0.28 -1.40 0.00 0.00 179.01 178.55 3kgd h VAL 262 N 0.60 1.24 -0.20 3.13 2.07 -1.61 -1.22 116.25 120.25 3kgd h VAL 262 Ca 0.08 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kgd h VAL 262 Cb 0.73 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3kgd h VAL 262 CO 0.06 0.30 0.13 0.58 0.02 0.00 0.00 177.57 178.66 3kgd h VAL 263 N 0.70 1.07 -0.39 2.57 2.07 -1.14 -2.34 116.25 118.78 3kgd h VAL 263 Ca 0.16 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3kgd h VAL 263 Cb 0.32 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kgd h VAL 263 CO 0.00 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 177.64 3kgd h ALA 264 N 1.06 1.25 -0.13 1.67 0.00 -1.37 -2.67 119.26 119.07 3kgd h ALA 264 Ca 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3kgd h ALA 264 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kgd h ALA 264 CO -0.02 0.50 -0.14 0.00 0.00 0.00 0.00 179.25 179.60 3kgd h ALA 265 N 1.40 1.54 -0.35 0.00 0.00 -0.69 -0.77 119.26 120.39 3kgd h ALA 265 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3kgd h ALA 265 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kgd h ALA 265 CO 0.02 0.33 -0.24 1.96 0.00 0.00 0.00 179.25 181.32 3kgd h GLN 266 N 0.19 0.69 -0.37 0.00 1.08 -1.11 -1.22 115.11 114.36 3kgd h GLN 266 Ca 0.04 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 3kgd h GLN 266 Cb 0.36 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3kgd h GLN 266 CO 0.02 0.86 0.01 1.25 -0.95 0.00 0.00 178.83 180.03 3kgd h LEU 267 N 0.60 0.63 -0.32 1.46 5.85 -1.27 -2.40 115.31 119.86 3kgd h LEU 267 Ca 0.08 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3kgd h LEU 267 Cb 0.72 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3kgd h LEU 267 CO 0.06 0.77 0.01 0.58 -0.34 0.00 0.00 178.44 179.51 3kgd h VAL 268 N 0.47 0.77 -0.72 1.05 2.07 -0.96 -0.11 116.25 118.83 3kgd h VAL 268 Ca 0.11 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3kgd h VAL 268 Cb 0.44 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 3kgd h VAL 268 CO 0.02 0.02 0.35 0.11 0.02 0.00 0.00 177.57 178.08 3kgd h LYS 269 N 0.10 0.56 -0.43 1.57 1.57 -1.11 0.41 116.57 119.24 3kgd h LYS 269 Ca 0.16 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3kgd h LYS 269 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3kgd h LYS 269 CO -0.26 0.37 0.05 1.49 -0.57 0.00 0.00 179.45 180.54 3kgd h GLU 270 N 0.58 0.72 -0.52 3.15 4.81 -0.84 -1.73 114.58 120.74 3kgd h GLU 270 Ca 0.36 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 3kgd h GLU 270 Cb 0.41 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3kgd h GLU 270 CO -0.29 0.76 -0.13 0.28 -0.73 0.00 0.00 179.01 178.91 3kgd h VAL 271 N 0.57 1.27 -0.73 0.32 2.07 -0.70 -2.55 116.25 116.50 3kgd h VAL 271 Ca 0.13 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3kgd h VAL 271 Cb 0.41 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3kgd h VAL 271 CO 0.01 0.45 0.40 0.11 0.02 0.00 0.00 177.57 178.57 3kgd h LYS 272 N 0.89 1.00 -0.82 1.57 1.57 -0.79 -1.36 116.57 118.63 3kgd h LYS 272 Ca 0.13 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3kgd h LYS 272 Cb 0.69 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 3kgd h LYS 272 CO 0.05 0.73 0.45 0.00 -0.57 0.00 0.00 179.45 180.11 3kgd h ARG 273 N 1.01 1.13 -0.40 3.15 3.08 -1.10 -0.54 114.38 120.71 3kgd h ARG 273 Ca 0.26 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3kgd h ARG 273 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3kgd h ARG 273 CO -0.04 0.83 0.17 -0.92 -1.07 0.00 0.00 179.97 178.93 3kgd h TYR 274 N 1.14 0.59 0.00 3.04 3.20 -0.99 -2.94 116.97 121.01 3kgd h TYR 274 Ca 0.29 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3kgd h TYR 274 Cb 0.02 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3kgd h TYR 274 CO 0.01 0.52 0.00 1.28 -1.64 0.00 0.00 178.16 178.32 3kgd n LEU 275 N -4.66 0.49 0.00 2.82 4.77 -0.57 -2.55 117.00 117.30 3kgd n LEU 275 Ca -0.00 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.68 3kgd n LEU 275 Cb 0.13 -0.43 0.66 0.00 -2.33 0.00 0.00 43.42 41.46 3kgd n LEU 275 CO 0.37 -0.20 0.98 0.00 -1.33 0.00 0.00 177.39 177.21 3kgd n ALA 276 N -1.68 2.37 -2.54 -1.18 0.00 -0.25 -4.76 120.51 112.48 3kgd n ALA 276 Ca 0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3kgd n ALA 276 Cb 0.35 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 3kgd n ALA 276 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kgd s SER 277 N -2.86 4.78 0.17 0.00 0.15 -1.05 -5.05 113.70 109.83 3kgd s SER 277 Ca 0.19 -0.71 0.26 0.00 0.70 0.00 0.00 55.95 56.38 3kgd s SER 277 Cb 0.19 -0.79 0.68 0.00 -1.71 0.00 0.00 66.02 64.39 3kgd s SER 277 CO 0.50 -0.28 1.63 0.35 1.20 0.00 0.00 173.24 176.65 3kgd n THR 278 N -1.16 0.48 -2.25 6.45 -2.24 -1.26 -4.95 114.28 109.35 3kgd n THR 278 Ca -0.03 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 3kgd n THR 278 Cb 0.61 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 3kgd n THR 278 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kgd s ALA 279 N -3.11 3.48 0.03 6.98 0.00 -1.26 -0.42 121.76 127.45 3kgd s ALA 279 Ca 0.09 1.11 -0.25 0.00 0.00 0.00 0.00 51.96 52.92 3kgd s ALA 279 Cb 0.13 -3.43 -0.18 0.00 0.00 0.00 0.00 23.12 19.64 3kgd s ALA 279 CO 0.64 -0.47 1.49 0.00 0.00 0.00 0.00 175.76 177.41 3kgd h ALA 280 N 4.05 -0.02 -2.37 0.00 0.00 -1.37 -3.40 119.26 116.16 3kgd h ALA 280 Ca -0.47 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.76 3kgd h ALA 280 Cb 1.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3kgd h ALA 280 CO 0.69 -0.38 0.43 0.08 0.00 0.00 0.00 179.25 180.06 3kgd s VAL 281 N -5.18 4.85 0.92 0.00 1.01 -1.25 -4.90 120.40 115.85 3kgd s VAL 281 Ca -0.15 1.97 -0.13 0.00 0.00 0.00 0.00 61.98 63.68 3kgd s VAL 281 Cb 0.04 -4.28 0.19 0.00 0.00 0.00 0.00 36.38 32.33 3kgd s VAL 281 CO 0.66 0.10 1.26 -0.83 0.00 0.00 0.00 175.10 176.29 3kgd s GLY 282 N 1.04 1.79 0.29 4.51 0.00 -1.26 -4.51 107.32 109.17 3kgd s GLY 282 Ca 0.48 -1.37 -0.00 0.00 0.00 0.00 0.00 44.72 43.83 3kgd s GLY 282 CO 0.22 -0.62 1.83 1.05 0.00 0.00 0.00 173.10 175.58 3kgd h GLU 283 N -1.45 0.76 0.11 2.90 4.11 -1.96 -2.28 114.58 116.79 3kgd h GLU 283 Ca -0.42 -0.16 -0.24 0.00 0.07 0.00 0.00 59.36 58.61 3kgd h GLU 283 Cb 1.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3kgd h GLU 283 CO 0.36 0.71 -1.18 1.88 0.07 0.00 0.00 179.01 180.85 3kgd h TYR 284 N 0.74 0.43 -0.88 2.06 0.05 -1.97 -3.29 116.97 114.10 3kgd h TYR 284 Ca 0.16 -0.31 0.19 0.00 0.05 0.00 0.00 58.73 58.82 3kgd h TYR 284 Cb 0.31 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 3kgd h TYR 284 CO 0.02 1.46 0.58 1.25 -1.05 0.00 0.00 178.16 180.42 3kgd h LEU 285 N -0.39 0.41 -0.45 3.88 5.85 -1.94 -2.32 115.31 120.35 3kgd h LEU 285 Ca -0.25 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3kgd h LEU 285 Cb 1.67 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 3kgd h LEU 285 CO 0.07 0.17 0.28 0.00 -0.34 0.00 0.00 178.44 178.62 3kgd h ALA 286 N 1.61 0.57 0.00 1.25 0.00 -1.47 -0.99 119.26 120.23 3kgd h ALA 286 Ca 0.45 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 3kgd h ALA 286 Cb 1.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kgd h ALA 286 CO -0.17 -0.02 -0.22 0.38 0.00 0.00 0.00 179.25 179.23 3kgd h ASP 287 N 0.57 0.00 0.80 0.00 -0.00 -1.56 -2.75 116.42 113.48 3kgd h ASP 287 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 3kgd h ASP 287 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.30 3kgd h ASP 287 CO -0.06 0.22 -0.11 0.00 -0.00 0.00 0.00 179.24 179.28 3kgd n GLN 288 N -3.66 0.10 0.03 4.15 6.02 -0.44 -3.22 117.38 120.36 3kgd n GLN 288 Ca -0.01 -0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.07 3kgd n GLN 288 Cb 0.34 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.19 3kgd n GLN 288 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kgd n LEU 289 N -1.43 0.63 0.13 1.08 4.77 -0.81 -4.47 117.00 116.89 3kgd n LEU 289 Ca 0.08 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3kgd n LEU 289 Cb 0.32 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3kgd n LEU 289 CO 0.28 0.03 0.71 0.58 -1.33 0.00 0.00 177.39 177.66 3kgd h VAL 290 N 0.00 0.84 -0.03 4.08 2.07 -1.59 -1.65 116.25 119.96 3kgd h VAL 290 Ca 0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3kgd h VAL 290 Cb 0.70 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3kgd h VAL 290 CO 0.00 0.07 0.01 -0.07 0.02 0.00 0.00 177.57 177.60 3kgd h LEU 291 N -0.45 0.04 -0.52 2.57 4.07 -1.79 -0.73 115.31 118.49 3kgd h LEU 291 Ca -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 3kgd h LEU 291 Cb 0.34 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 3kgd h LEU 291 CO 0.05 0.16 0.26 -0.65 -1.08 0.00 0.00 178.44 177.18 3kgd h PRO 292 N -0.08 0.75 -0.88 1.13 0.10 -1.78 0.07 132.00 131.31 3kgd h PRO 292 Ca 0.01 -0.10 -0.02 0.00 0.10 0.00 0.00 66.00 65.99 3kgd h PRO 292 Cb 0.13 -0.14 -0.04 0.00 0.10 0.00 0.00 31.00 31.05 3kgd h PRO 292 CO -0.00 0.61 0.47 0.52 0.10 0.00 0.00 178.00 179.70 3kgd h MET 293 N 0.70 1.24 -0.84 1.05 2.86 -1.25 -1.74 114.93 116.95 3kgd h MET 293 Ca 0.18 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3kgd h MET 293 Cb 0.10 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 3kgd h MET 293 CO -0.02 0.92 0.44 0.00 1.06 0.00 0.00 176.91 179.31 3kgd h ALA 294 N 1.26 1.07 -0.07 6.32 0.00 -0.64 -1.88 119.26 125.33 3kgd h ALA 294 Ca 0.31 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kgd h ALA 294 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3kgd h ALA 294 CO -0.05 0.60 -0.18 -0.07 0.00 0.00 0.00 179.25 179.56 3kgd h LEU 295 N 1.17 0.11 -0.47 0.00 3.38 -0.60 -2.00 115.31 116.90 3kgd h LEU 295 Ca 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kgd h LEU 295 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kgd h LEU 295 CO -0.04 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3kgd h ALA 296 N 1.72 1.00 0.00 1.53 0.00 -0.68 -3.47 119.26 119.36 3kgd h ALA 296 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kgd h ALA 296 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kgd h ALA 296 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3kgd n GLY 297 N 0.73 0.83 3.56 0.00 0.00 -0.75 -4.88 105.19 104.67 3kgd n GLY 297 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3kgd n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgd s ALA 298 N -3.24 -1.93 0.00 4.61 0.00 -1.13 -4.94 121.76 115.13 3kgd s ALA 298 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3kgd s ALA 298 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3kgd s ALA 298 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3kgd n GLY 299 N 0.19 3.40 3.47 0.00 0.00 -1.26 -4.40 105.19 106.58 3kgd n GLY 299 Ca -0.07 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 3kgd n GLY 299 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3kgd s GLU 300 N -2.33 1.13 0.21 1.61 -1.05 -0.48 -1.69 118.70 116.11 3kgd s GLU 300 Ca 0.00 -0.17 -0.12 0.00 -0.15 0.00 0.00 54.97 54.53 3kgd s GLU 300 Cb 0.00 0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3kgd s GLU 300 CO 0.00 -0.44 0.41 -0.59 0.95 0.00 0.00 175.26 175.59 3kgd s PHE 301 N -2.66 0.31 0.16 4.83 -0.12 -0.46 -1.24 117.98 118.80 3kgd s PHE 301 Ca -0.03 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.24 3kgd s PHE 301 Cb -0.01 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3kgd s PHE 301 CO -0.04 -0.87 0.12 0.95 -0.05 0.00 0.00 175.22 175.33 3kgd s THR 302 N -3.98 4.43 -0.03 -4.49 -4.23 -1.22 -0.12 115.64 105.99 3kgd s THR 302 Ca 0.19 -1.08 -0.13 0.00 -1.18 0.00 0.00 61.69 59.49 3kgd s THR 302 Cb 0.01 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.62 3kgd s THR 302 CO 0.04 -0.09 0.28 0.54 -0.54 0.00 0.00 174.62 174.85 3kgd s VAL 303 N -1.71 0.05 0.19 2.29 0.11 -0.22 -3.85 120.40 117.26 3kgd s VAL 303 Ca 0.30 -0.41 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 3kgd s VAL 303 Cb -0.10 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.25 3kgd s VAL 303 CO 0.23 -0.23 1.62 0.00 -3.33 0.00 0.00 175.10 173.39 3kgd h ALA 304 N 4.32 0.82 -2.00 1.54 0.00 -1.86 0.16 119.26 122.24 3kgd h ALA 304 Ca -0.29 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.07 3kgd h ALA 304 Cb 1.18 -0.18 -0.31 0.00 0.00 0.00 0.00 17.79 18.48 3kgd h ALA 304 CO 0.38 0.66 -0.52 -1.58 0.00 0.00 0.00 179.25 178.19 3kgd s HIS 305 N -4.80 -0.73 0.08 0.00 5.65 -1.26 -4.50 115.29 109.73 3kgd s HIS 305 Ca -0.11 0.59 -0.31 0.00 0.25 0.00 0.00 55.06 55.49 3kgd s HIS 305 Cb 0.13 -0.10 -0.09 0.00 -1.18 0.00 0.00 32.58 31.34 3kgd s HIS 305 CO 0.85 -0.75 1.78 -2.14 -0.65 0.00 0.00 174.74 173.84 3kgd s PRO 306 N 2.49 4.16 0.77 2.88 0.02 -1.26 -4.95 135.00 139.12 3kgd s PRO 306 Ca 0.11 2.48 -0.08 0.00 0.02 0.00 0.00 61.00 63.53 3kgd s PRO 306 Cb -0.15 -3.72 0.10 0.00 0.02 0.00 0.00 34.50 30.75 3kgd s PRO 306 CO -0.18 -0.82 1.09 -1.54 -0.33 0.00 0.00 177.00 175.21 3kgd s SER 307 N 2.94 4.38 0.21 2.53 1.04 -1.26 -4.90 113.70 118.64 3kgd s SER 307 Ca 0.79 0.34 -0.09 0.00 0.48 0.00 0.00 55.95 57.47 3kgd s SER 307 Cb -0.42 -0.81 0.17 0.00 0.10 0.00 0.00 66.02 65.05 3kgd s SER 307 CO 0.35 -1.89 1.85 0.00 0.98 0.00 0.00 173.24 174.53 3kgd h HIS 309 N 1.10 0.89 -0.30 0.00 3.86 -1.97 1.00 115.15 119.73 3kgd h HIS 309 Ca 0.28 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3kgd h HIS 309 Cb -0.01 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3kgd h HIS 309 CO -0.00 0.80 0.18 1.25 0.86 0.00 0.00 177.93 181.01 3kgd h LEU 310 N 0.79 0.37 -0.92 2.43 5.85 -1.74 -0.64 115.31 121.45 3kgd h LEU 310 Ca 0.16 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3kgd h LEU 310 Cb 0.42 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3kgd h LEU 310 CO 0.01 0.32 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.11 3kgd h LEU 311 N 0.39 0.50 -0.23 2.25 -0.00 -0.79 -1.24 115.31 116.20 3kgd h LEU 311 Ca 0.11 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 3kgd h LEU 311 Cb 0.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 3kgd h LEU 311 CO -0.02 0.75 0.05 0.74 -0.00 0.00 0.00 178.44 179.95 3kgd h THR 312 N 0.44 1.21 -0.75 0.22 2.02 -0.61 -1.40 112.91 114.05 3kgd h THR 312 Ca 0.06 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3kgd h THR 312 Cb 0.67 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3kgd h THR 312 CO 0.05 0.22 0.22 0.78 0.37 0.00 0.00 175.52 177.17 3kgd h ASN 313 N 0.18 1.09 -0.27 4.18 2.35 -0.86 -1.17 115.58 121.09 3kgd h ASN 313 Ca 0.07 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3kgd h ASN 313 Cb 0.29 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3kgd h ASN 313 CO 0.00 1.02 0.15 0.40 -1.65 0.00 0.00 177.43 177.35 3kgd h ILE 314 N 1.11 1.02 -0.67 2.81 2.04 -1.10 -0.34 117.51 122.38 3kgd h ILE 314 Ca 0.24 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 66.02 3kgd h ILE 314 Cb 0.32 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3kgd h ILE 314 CO -0.01 0.06 0.42 0.00 0.00 0.00 0.00 178.15 178.62 3kgd h ALA 315 N 1.13 0.88 -0.30 1.87 0.00 -0.84 -1.44 119.26 120.55 3kgd h ALA 315 Ca 0.11 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3kgd h ALA 315 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kgd h ALA 315 CO -0.06 0.20 -0.50 0.28 0.00 0.00 0.00 179.25 179.17 3kgd h VAL 316 N 0.83 1.28 -0.65 0.00 2.07 -1.02 -2.94 116.25 115.83 3kgd h VAL 316 Ca 0.27 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 66.13 3kgd h VAL 316 Cb 0.01 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3kgd h VAL 316 CO -0.10 0.55 0.40 0.58 0.02 0.00 0.00 177.57 179.02 3kgd h VAL 317 N 0.65 1.09 0.00 2.57 2.07 -0.70 -1.93 116.25 120.01 3kgd h VAL 317 Ca 0.03 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kgd h VAL 317 Cb 1.09 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kgd h VAL 317 CO 0.11 0.14 -0.00 -0.33 0.02 0.00 0.00 177.57 177.51 3kgd h GLU 318 N 0.79 0.00 0.00 1.57 5.08 -1.14 0.48 114.58 121.37 3kgd h GLU 318 Ca 0.26 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 3kgd h GLU 318 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3kgd h GLU 318 CO -0.10 0.00 -0.62 0.00 -1.00 0.00 0.00 179.01 177.29 3kgd h ARG 319 N 0.00 0.00 0.00 2.33 2.47 -1.18 -3.39 114.38 114.62 3kgd h ARG 319 Ca -0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 3kgd h ARG 319 Cb 0.39 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 3kgd h ARG 319 CO 0.00 0.62 -1.97 1.19 0.56 0.00 0.00 179.97 180.38 3kgd n PHE 320 N -3.45 0.00 -4.30 3.04 3.01 -0.50 -5.04 117.46 110.23 3kgd n PHE 320 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 3kgd n PHE 320 Cb 0.71 -0.63 -0.12 0.00 -0.01 0.00 0.00 39.48 39.43 3kgd n PHE 320 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3kgd s LEU 321 N -4.78 2.36 -0.66 4.37 1.43 0.04 -5.00 118.68 116.45 3kgd s LEU 321 Ca -0.07 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 3kgd s LEU 321 Cb 0.07 -0.82 -0.12 0.00 0.03 0.00 0.00 46.19 45.36 3kgd s LEU 321 CO 0.67 -0.00 3.16 -0.81 0.23 0.00 0.00 176.35 179.60 3kgd n PRO 322 N 0.73 2.81 -4.08 1.29 -0.04 -1.26 -4.62 135.00 129.84 3kgd n PRO 322 Ca -0.17 -1.84 -0.11 0.00 -0.04 0.00 0.00 63.50 61.34 3kgd n PRO 322 Cb 0.55 -2.31 -0.11 0.00 -0.04 0.00 0.00 33.50 31.60 3kgd n PRO 322 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kgd s VAL 323 N 0.45 0.47 0.01 0.52 -7.23 -1.26 -5.12 120.40 108.23 3kgd s VAL 323 Ca 0.65 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 3kgd s VAL 323 Cb 0.28 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 3kgd s VAL 323 CO -0.07 -0.60 -0.07 -0.13 -0.31 0.00 0.00 175.10 173.92 3kgd s ARG 324 N -2.41 0.54 0.01 4.82 1.81 -1.26 -4.59 118.95 117.86 3kgd s ARG 324 Ca -0.03 -0.39 -0.03 0.00 -1.72 0.00 0.00 55.73 53.56 3kgd s ARG 324 Cb -0.04 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.94 3kgd s ARG 324 CO -0.02 0.12 0.21 -0.06 -0.68 0.00 0.00 175.30 174.86 3kgd s PHE 325 N -0.48 3.55 -0.08 -0.53 0.40 -1.26 -0.71 117.98 118.86 3kgd s PHE 325 Ca -0.01 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 3kgd s PHE 325 Cb -0.05 -1.85 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 3kgd s PHE 325 CO 0.00 0.63 -0.08 0.45 0.70 0.00 0.00 175.22 176.92 3kgd s SER 326 N -2.00 4.51 -0.15 1.36 0.15 0.66 -4.88 113.70 113.35 3kgd s SER 326 Ca 0.29 -0.09 -0.00 0.00 0.70 0.00 0.00 55.95 56.85 3kgd s SER 326 Cb -0.13 -1.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.98 3kgd s SER 326 CO 0.20 0.32 -0.09 -0.76 1.20 0.00 0.00 173.24 174.11 3kgd s LEU 327 N -0.54 1.58 -0.08 3.45 1.02 -1.26 -0.92 118.68 121.93 3kgd s LEU 327 Ca 0.08 -0.54 -0.00 0.00 0.02 0.00 0.00 54.13 53.69 3kgd s LEU 327 Cb -0.12 -0.99 0.02 0.00 0.02 0.00 0.00 46.19 45.12 3kgd s LEU 327 CO 0.02 -0.13 -0.04 -0.63 0.02 0.00 0.00 176.35 175.59 3kgd s ILE 328 N 1.59 0.65 -0.03 -0.59 1.01 -0.71 -4.94 121.20 118.19 3kgd s ILE 328 Ca 0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 3kgd s ILE 328 Cb -0.14 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3kgd s ILE 328 CO -0.09 0.29 0.63 -0.70 0.00 0.00 0.00 174.94 175.07 3kgd s GLU 329 N 1.58 4.37 -0.12 2.79 2.12 -1.26 -0.16 118.70 128.01 3kgd s GLU 329 Ca 0.00 0.78 -0.01 0.00 0.36 0.00 0.00 54.97 56.09 3kgd s GLU 329 Cb -0.13 -3.38 0.04 0.00 0.26 0.00 0.00 34.13 30.92 3kgd s GLU 329 CO -0.04 0.27 -0.01 0.99 -0.54 0.00 0.00 175.26 175.92 3kgd s THR 330 N 0.14 0.61 -1.37 -1.70 2.01 -0.02 -4.87 115.64 110.44 3kgd s THR 330 Ca 0.33 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 3kgd s THR 330 Cb -0.18 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.51 3kgd s THR 330 CO 0.17 0.13 1.14 0.47 -0.69 0.00 0.00 174.62 175.85 3kgd n ASP 331 N 5.06 -5.78 0.00 3.53 8.00 -1.26 -2.31 116.55 123.79 3kgd n ASP 331 Ca -0.09 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3kgd n ASP 331 Cb 0.49 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 3kgd n ASP 331 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kgd n GLY 332 N -1.90 0.42 3.49 0.44 0.00 -1.26 -5.00 105.19 101.38 3kgd n GLY 332 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3kgd n GLY 332 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kgd s VAL 333 N -1.95 2.95 -0.19 1.61 1.01 -0.98 -4.76 120.40 118.09 3kgd s VAL 333 Ca 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.78 3kgd s VAL 333 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3kgd s VAL 333 CO 0.00 0.32 0.00 -0.89 0.00 0.00 0.00 175.10 174.53 3kgd s THR 334 N -0.97 4.08 -0.31 3.92 2.01 0.55 -0.84 115.64 124.08 3kgd s THR 334 Ca 0.16 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 61.65 3kgd s THR 334 Cb -0.11 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 3kgd s THR 334 CO 0.06 0.44 0.74 -0.60 -0.69 0.00 0.00 174.62 174.58 3kgd s ARG 335 N 0.77 3.93 -0.32 4.92 3.52 0.77 -1.06 118.95 131.49 3kgd s ARG 335 Ca 0.00 0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 55.96 3kgd s ARG 335 Cb -0.14 -3.73 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 3kgd s ARG 335 CO 0.02 -0.66 0.22 0.08 -0.81 0.00 0.00 175.30 174.15 3kgd s VAL 336 N 2.86 5.26 0.04 7.11 1.01 0.82 -1.74 120.40 135.75 3kgd s VAL 336 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3kgd s VAL 336 Cb -0.14 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3kgd s VAL 336 CO 0.13 0.07 -0.05 -0.94 0.00 0.00 0.00 175.10 174.31 3kgd s SER 337 N 1.73 0.57 -0.07 3.32 1.04 -0.10 -1.35 113.70 118.83 3kgd s SER 337 Ca 0.06 -0.60 -0.27 0.00 0.48 0.00 0.00 55.95 55.62 3kgd s SER 337 Cb -0.17 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 3kgd s SER 337 CO 0.10 -0.30 0.89 -0.63 0.98 0.00 0.00 173.24 174.28 3kgd s ILE 338 N -1.79 4.90 -1.54 -1.02 1.01 -0.68 -0.25 121.20 121.84 3kgd s ILE 338 Ca -0.10 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.37 3kgd s ILE 338 Cb -0.07 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3kgd s ILE 338 CO -0.01 0.13 0.38 -0.62 0.00 0.00 0.00 174.94 174.82