#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgd s HIS 1 N 0.00 0.45 0.48 -1.55 0.00 -1.26 -5.14 115.29 108.27 3kgd s HIS 1 Ca 0.00 -0.08 -0.21 0.00 -3.00 0.00 0.00 55.06 51.77 3kgd s HIS 1 Cb 0.00 -0.36 -0.08 0.00 -4.00 0.00 0.00 32.58 28.14 3kgd s HIS 1 CO 0.00 -0.06 1.05 -1.64 -1.00 0.00 0.00 174.74 173.10 3kgd s MET 2 N 0.24 3.79 0.42 -0.38 1.00 -1.26 -5.03 119.30 118.08 3kgd s MET 2 Ca -0.02 1.41 -0.09 0.00 0.00 0.00 0.00 55.69 56.99 3kgd s MET 2 Cb -0.06 -2.14 -0.06 0.00 0.00 0.00 0.00 34.83 32.58 3kgd s MET 2 CO -0.00 -0.45 0.77 0.15 0.00 0.00 0.00 175.02 175.49 3kgd s LYS 3 N -3.15 3.71 0.15 2.03 -0.14 -1.26 -4.98 119.74 116.10 3kgd s LYS 3 Ca 0.67 0.39 0.09 0.00 -1.36 0.00 0.00 55.97 55.76 3kgd s LYS 3 Cb -0.18 -2.39 -0.15 0.00 -1.68 0.00 0.00 37.83 33.43 3kgd s LYS 3 CO 0.22 -0.08 1.30 0.00 -0.76 0.00 0.00 175.35 176.03 3kgd h ARG 4 N 1.00 0.00 -1.62 1.68 3.08 -1.96 -3.42 114.38 113.15 3kgd h ARG 4 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3kgd h ARG 4 Cb 1.19 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.00 3kgd h ARG 4 CO 0.63 0.87 -0.31 1.41 -1.07 0.00 0.00 179.97 181.51 3kgd s MET 5 N -2.77 0.48 -0.22 0.04 0.00 -1.26 -4.26 119.30 111.32 3kgd s MET 5 Ca 0.02 0.98 -0.21 0.00 0.00 0.00 0.00 55.69 56.48 3kgd s MET 5 Cb 0.09 0.33 -0.02 0.00 0.00 0.00 0.00 34.83 35.23 3kgd s MET 5 CO 0.80 -0.50 0.63 0.42 0.00 0.00 0.00 175.02 176.38 3kgd s ILE 6 N 2.76 5.01 -0.30 10.11 1.01 -0.88 -4.94 121.20 133.96 3kgd s ILE 6 Ca 0.11 1.17 -0.13 0.00 0.00 0.00 0.00 60.65 61.80 3kgd s ILE 6 Cb -0.14 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3kgd s ILE 6 CO -0.18 0.08 0.30 0.00 0.00 0.00 0.00 174.94 175.14 3kgd s ALA 7 N 2.11 3.53 0.06 9.38 0.00 -1.26 -0.72 121.76 134.86 3kgd s ALA 7 Ca 0.28 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.23 3kgd s ALA 7 Cb -0.16 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 3kgd s ALA 7 CO 0.10 -0.76 -0.08 -0.51 0.00 0.00 0.00 175.76 174.51 3kgd s LEU 8 N 1.92 3.12 -0.20 0.00 1.43 0.24 -4.97 118.68 120.23 3kgd s LEU 8 Ca 0.11 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 3kgd s LEU 8 Cb -0.16 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3kgd s LEU 8 CO 0.11 0.22 0.01 -0.62 0.23 0.00 0.00 176.35 176.30 3kgd s ASP 9 N -1.90 5.00 0.00 2.29 2.15 -1.26 -1.97 116.67 120.97 3kgd s ASP 9 Ca 0.20 -0.14 0.19 0.00 0.43 0.00 0.00 52.55 53.23 3kgd s ASP 9 Cb -0.11 -1.85 0.72 0.00 -0.30 0.00 0.00 42.92 41.37 3kgd s ASP 9 CO 0.12 0.09 1.52 0.61 -0.17 0.00 0.00 175.17 177.34 3kgd n GLY 10 N 4.08 0.24 0.26 2.66 0.00 0.00 -4.58 105.19 107.85 3kgd n GLY 10 Ca -0.17 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 3.97 1.10 -0.17 4.61 0.00 -1.76 -2.32 119.26 124.70 3kgd h ALA 11 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kgd h ALA 11 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kgd h ALA 11 CO 0.00 0.13 0.00 1.04 0.00 0.00 0.00 179.25 180.42 3kgd n GLN 12 N -3.36 1.77 0.00 0.00 3.00 -1.26 -4.99 117.38 112.54 3kgd n GLN 12 Ca -0.01 -1.15 0.00 0.00 -0.01 0.00 0.00 57.00 55.83 3kgd n GLN 12 Cb 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 29.13 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 1.15 2.91 2.26 1.08 0.00 -0.87 -5.03 105.19 106.69 3kgd n GLY 13 Ca 0.16 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.40 -1.50 0.26 1.61 -0.58 -1.26 -4.86 120.64 113.91 3kgd n GLU 14 Ca 0.00 0.89 0.15 0.00 -0.42 0.00 0.00 57.16 57.78 3kgd n GLU 14 Cb 0.00 -5.26 0.54 0.00 -0.57 0.00 0.00 31.44 26.15 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 -0.23 0.62 0.00 -1.91 -1.30 103.07 100.25 3kgd h GLY 15 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3kgd h GLY 15 CO 0.46 0.00 -0.66 0.61 0.00 0.00 0.00 176.54 176.96 3kgd n GLY 16 N 0.31 -0.40 0.00 4.60 0.00 -1.26 -3.98 105.19 104.46 3kgd n GLY 16 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 1.33 0.59 0.27 -0.02 0.00 -0.88 -4.69 105.19 101.80 3kgd n GLY 17 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.55 -0.19 1.61 5.75 -1.91 0.42 115.11 121.34 3kgd h GLN 18 Ca 0.00 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 3kgd h GLN 18 Cb 0.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3kgd h GLN 18 CO 0.00 0.57 -0.08 0.82 -2.65 0.00 0.00 178.83 177.49 3kgd h ILE 19 N 0.53 1.30 -0.49 2.39 2.04 -1.56 -2.39 117.51 119.33 3kgd h ILE 19 Ca 0.11 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 3kgd h ILE 19 Cb 0.34 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3kgd h ILE 19 CO 0.01 0.34 0.10 0.25 0.00 0.00 0.00 178.15 178.86 3kgd h LEU 20 N 0.09 0.75 -0.76 1.44 5.85 -1.53 0.20 115.31 121.36 3kgd h LEU 20 Ca 0.04 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3kgd h LEU 20 Cb 0.56 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3kgd h LEU 20 CO 0.03 0.80 0.41 0.03 -0.34 0.00 0.00 178.44 179.37 3kgd h ARG 21 N 0.67 1.06 0.01 1.25 3.08 -0.92 0.06 114.38 119.59 3kgd h ARG 21 Ca 0.15 -0.13 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 3kgd h ARG 21 Cb 0.35 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kgd h ARG 21 CO 0.00 0.79 -0.95 0.77 -1.07 0.00 0.00 179.97 179.52 3kgd h SER 22 N 1.05 0.44 -0.40 7.04 0.02 -1.22 -2.68 113.55 117.81 3kgd h SER 22 Ca 0.27 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3kgd h SER 22 Cb 0.04 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3kgd h SER 22 CO -0.04 1.17 0.01 0.00 -1.14 0.00 0.00 176.83 176.83 3kgd h ALA 23 N 0.79 0.54 -0.26 3.77 0.00 -0.73 -1.09 119.26 122.29 3kgd h ALA 23 Ca -0.07 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3kgd h ALA 23 Cb 1.59 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 3kgd h ALA 23 CO 0.16 0.31 0.03 -0.07 0.00 0.00 0.00 179.25 179.68 3kgd h LEU 24 N 0.53 -0.04 -0.02 0.00 3.38 -0.90 0.31 115.31 118.58 3kgd h LEU 24 Ca 0.11 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3kgd h LEU 24 Cb 0.46 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3kgd h LEU 24 CO 0.02 0.01 -0.13 0.28 0.09 0.00 0.00 178.44 178.71 3kgd h SER 25 N 0.12 -0.38 0.09 -0.43 0.02 -1.37 -1.78 113.55 109.82 3kgd h SER 25 Ca 0.12 0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 3kgd h SER 25 Cb 0.14 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kgd h SER 25 CO -0.18 -0.18 -0.40 -0.07 -1.14 0.00 0.00 176.83 174.86 3kgd h LEU 26 N -0.21 0.42 -0.13 5.07 3.38 -0.96 -1.10 115.31 121.78 3kgd h LEU 26 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3kgd h LEU 26 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kgd h LEU 26 CO -0.14 0.77 0.08 -1.28 0.09 0.00 0.00 178.44 177.96 3kgd h SER 27 N 0.33 0.15 -0.80 -0.43 0.87 -0.26 -1.12 113.55 112.28 3kgd h SER 27 Ca 0.03 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3kgd h SER 27 Cb 0.85 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 3kgd h SER 27 CO 0.07 0.11 0.42 0.24 -0.53 0.00 0.00 176.83 177.14 3kgd h MET 28 N 0.17 1.14 -0.39 2.24 2.86 -1.02 0.37 114.93 120.29 3kgd h MET 28 Ca 0.05 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 3kgd h MET 28 Cb -0.02 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3kgd h MET 28 CO -0.01 0.85 -0.16 0.82 1.06 0.00 0.00 176.91 179.48 3kgd h ILE 29 N 1.13 1.28 0.00 -1.22 2.04 -1.04 -3.29 117.51 116.40 3kgd h ILE 29 Ca 0.28 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3kgd h ILE 29 Cb 0.07 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3kgd h ILE 29 CO -0.04 0.43 -1.13 0.35 0.00 0.00 0.00 178.15 177.76 3kgd n THR 30 N -4.28 0.37 -0.97 -0.27 -2.24 -0.44 -4.97 114.28 101.47 3kgd n THR 30 Ca -0.01 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3kgd n THR 30 Cb 0.40 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.26 0.87 3.68 3.38 0.00 0.13 -5.03 105.19 109.48 3kgd n GLY 31 Ca 0.00 0.00 -0.40 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 -0.03 4.30 0.75 1.61 -0.21 -1.14 -4.73 119.66 120.22 3kgd s GLN 32 Ca 0.00 0.79 -0.12 0.00 0.02 0.00 0.00 55.36 56.05 3kgd s GLN 32 Cb 0.00 -3.54 0.05 0.00 1.00 0.00 0.00 33.01 30.52 3kgd s GLN 32 CO 0.00 -0.17 1.10 -2.14 -2.12 0.00 0.00 175.29 171.97 3kgd s PRO 33 N 1.62 2.33 0.14 2.91 0.02 -1.26 -4.52 135.00 136.23 3kgd s PRO 33 Ca 0.33 1.28 -0.05 0.00 0.02 0.00 0.00 61.00 62.58 3kgd s PRO 33 Cb -0.16 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 3kgd s PRO 33 CO 0.13 -1.60 0.17 -0.59 -0.33 0.00 0.00 177.00 174.77 3kgd s PHE 34 N -2.69 0.56 -0.04 6.54 -0.71 -0.79 -2.08 117.98 118.77 3kgd s PHE 34 Ca 0.64 -0.95 0.01 0.00 -1.04 0.00 0.00 56.93 55.59 3kgd s PHE 34 Cb -0.19 -0.24 0.02 0.00 -1.21 0.00 0.00 43.02 41.40 3kgd s PHE 34 CO 0.52 -0.60 -0.05 0.99 -1.34 0.00 0.00 175.22 174.73 3kgd s THR 35 N -3.98 0.57 -0.13 -4.49 2.01 0.10 -1.14 115.64 108.57 3kgd s THR 35 Ca 0.18 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 3kgd s THR 35 Cb 0.05 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 3kgd s THR 35 CO -0.01 0.22 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.44 3kgd s ILE 36 N 0.74 3.63 0.34 1.82 1.01 0.23 -0.59 121.20 128.37 3kgd s ILE 36 Ca -0.10 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.18 3kgd s ILE 36 Cb -0.13 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 3kgd s ILE 36 CO 0.00 0.52 -0.07 0.42 0.00 0.00 0.00 174.94 175.81 3kgd s THR 37 N 0.17 2.41 -1.27 2.92 -4.23 -0.83 -0.97 115.64 113.84 3kgd s THR 37 Ca -0.04 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.28 3kgd s THR 37 Cb -0.14 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.03 3kgd s THR 37 CO 0.03 -0.22 0.71 -1.20 -0.54 0.00 0.00 174.62 173.40 3kgd n SER 38 N -0.83 -5.59 -4.63 3.99 7.64 -0.53 -0.82 113.62 112.85 3kgd n SER 38 Ca -0.05 -0.33 -0.43 0.00 1.01 0.00 0.00 58.87 59.08 3kgd n SER 38 Cb 0.63 -4.34 -0.03 0.00 -1.01 0.00 0.00 64.21 59.46 3kgd n SER 38 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kgd s ILE 39 N -3.16 3.54 -1.53 0.44 1.01 -0.66 -3.29 121.20 117.56 3kgd s ILE 39 Ca 0.35 0.61 -0.14 0.00 0.00 0.00 0.00 60.65 61.47 3kgd s ILE 39 Cb -0.15 -3.55 0.08 0.00 0.01 0.00 0.00 42.46 38.85 3kgd s ILE 39 CO 0.43 -0.23 0.97 0.54 0.00 0.00 0.00 174.94 176.65 3kgd n ARG 40 N 7.78 -5.48 0.24 2.79 1.74 -1.26 -1.61 116.66 120.86 3kgd n ARG 40 Ca 0.20 0.60 0.09 0.00 -0.77 0.00 0.00 57.85 57.97 3kgd n ARG 40 Cb 0.45 -5.50 0.61 0.00 -1.02 0.00 0.00 32.46 27.00 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 0.97 1.55 -0.66 7.54 0.00 -1.87 -2.75 119.26 124.04 3kgd h ALA 41 Ca -0.57 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3kgd h ALA 41 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kgd h ALA 41 CO 0.67 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3kgd n GLY 42 N -0.94 2.51 3.89 0.00 0.00 -1.26 -4.91 105.19 104.48 3kgd n GLY 42 Ca -0.02 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.57 3.55 0.29 1.61 1.81 -1.05 -5.01 118.95 118.58 3kgd s ARG 43 Ca 0.49 -0.16 0.03 0.00 -1.72 0.00 0.00 55.73 54.37 3kgd s ARG 43 Cb 0.29 -3.04 0.64 0.00 -0.45 0.00 0.00 34.95 32.39 3kgd s ARG 43 CO 0.27 0.62 1.81 0.00 -0.68 0.00 0.00 175.30 177.31 3kgd h ALA 44 N 3.64 1.59 -3.17 2.13 0.00 -1.92 -2.84 119.26 118.69 3kgd h ALA 44 Ca -0.48 0.05 -0.69 0.00 0.00 0.00 0.00 54.91 53.78 3kgd h ALA 44 Cb 1.18 -0.16 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 3kgd h ALA 44 CO 0.69 0.11 -0.51 0.15 0.00 0.00 0.00 179.25 179.69 3kgd s LYS 45 N -5.91 2.13 0.76 0.00 1.02 -1.26 -5.10 119.74 111.37 3kgd s LYS 45 Ca -0.12 -2.03 -0.08 0.00 0.02 0.00 0.00 55.97 53.77 3kgd s LYS 45 Cb 0.23 -3.60 0.10 0.00 -0.52 0.00 0.00 37.83 34.04 3kgd s LYS 45 CO 0.81 -1.10 1.07 -1.25 -0.92 0.00 0.00 175.35 173.96 3kgd s PRO 46 N 0.78 1.81 1.05 -1.68 0.04 -1.08 -4.98 135.00 130.95 3kgd s PRO 46 Ca 0.11 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.74 3kgd s PRO 46 Cb -0.22 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3kgd s PRO 46 CO -0.04 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.91 3kgd n GLY 47 N -3.08 -1.89 3.75 0.56 0.00 -0.63 -4.36 105.19 99.54 3kgd n GLY 47 Ca 0.10 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 4.44 0.54 0.99 1.43 0.25 -4.71 118.68 121.63 3kgd s LEU 48 Ca 0.00 2.43 -0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3kgd s LEU 48 Cb 0.00 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.62 3kgd s LEU 48 CO 0.00 -0.45 0.77 -0.76 0.23 0.00 0.00 176.35 176.14 3kgd s LEU 49 N -0.71 3.34 0.25 1.79 1.43 -1.26 -0.65 118.68 122.87 3kgd s LEU 49 Ca 0.53 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 3kgd s LEU 49 Cb -0.36 -3.01 0.43 0.00 0.03 0.00 0.00 46.19 43.29 3kgd s LEU 49 CO 0.42 -1.05 1.79 0.03 0.23 0.00 0.00 176.35 177.77 3kgd h ARG 50 N 0.09 0.70 0.00 1.70 3.08 -1.98 -1.34 114.38 116.64 3kgd h ARG 50 Ca -0.44 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 3kgd h ARG 50 Cb 1.28 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3kgd h ARG 50 CO 0.55 0.47 -0.31 -0.56 -1.07 0.00 0.00 179.97 179.05 3kgd h GLN 51 N 0.73 0.00 -0.25 0.04 -0.00 -1.95 -2.32 115.11 111.36 3kgd h GLN 51 Ca 0.41 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.89 3kgd h GLN 51 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.93 3kgd h GLN 51 CO -0.28 0.31 -0.54 0.45 -0.00 0.00 0.00 178.83 178.76 3kgd h HIS 52 N 0.00 0.94 -0.64 0.06 3.86 -1.56 -2.89 115.15 114.92 3kgd h HIS 52 Ca -0.00 -0.33 -0.04 0.00 -1.16 0.00 0.00 60.37 58.84 3kgd h HIS 52 Cb 0.72 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 3kgd h HIS 52 CO 0.00 1.12 0.25 -0.07 0.86 0.00 0.00 177.93 180.09 3kgd h LEU 53 N 0.58 0.87 -0.91 2.43 3.38 -0.90 -2.38 115.31 118.38 3kgd h LEU 53 Ca 0.01 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3kgd h LEU 53 Cb 1.12 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3kgd h LEU 53 CO 0.11 0.79 0.60 0.74 0.09 0.00 0.00 178.44 180.77 3kgd h THR 54 N 0.93 1.20 -0.55 0.22 2.02 -1.22 0.22 112.91 115.73 3kgd h THR 54 Ca 0.22 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 3kgd h THR 54 Cb 0.20 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3kgd h THR 54 CO -0.02 0.22 0.12 0.00 0.37 0.00 0.00 175.52 176.21 3kgd h ALA 55 N 1.35 0.73 -0.74 6.16 0.00 -1.42 -0.47 119.26 124.87 3kgd h ALA 55 Ca 0.34 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kgd h ALA 55 Cb -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3kgd h ALA 55 CO -0.09 0.45 0.22 0.28 0.00 0.00 0.00 179.25 180.11 3kgd h VAL 56 N 0.79 1.26 -0.26 0.00 2.07 -0.95 -1.26 116.25 117.90 3kgd h VAL 56 Ca 0.17 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 3kgd h VAL 56 Cb 0.37 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3kgd h VAL 56 CO 0.01 0.36 -0.32 0.11 0.02 0.00 0.00 177.57 177.74 3kgd h LYS 57 N 1.10 0.55 -0.25 1.57 1.79 -0.35 -0.80 116.57 120.19 3kgd h LYS 57 Ca 0.24 -0.25 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 3kgd h LYS 57 Cb 0.32 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3kgd h LYS 57 CO -0.01 0.81 -0.21 0.00 -1.08 0.00 0.00 179.45 178.96 3kgd h ALA 58 N 1.18 0.37 -0.52 3.86 0.00 -0.88 -1.99 119.26 121.28 3kgd h ALA 58 Ca 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3kgd h ALA 58 Cb 0.79 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3kgd h ALA 58 CO 0.06 0.32 0.33 0.00 0.00 0.00 0.00 179.25 179.96 3kgd h ALA 59 N 0.69 0.67 -0.91 0.00 0.00 -1.13 -2.37 119.26 116.21 3kgd h ALA 59 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kgd h ALA 59 Cb 0.76 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3kgd h ALA 59 CO 0.06 0.06 0.59 1.15 0.00 0.00 0.00 179.25 181.10 3kgd h THR 60 N 0.66 1.07 -0.41 0.00 2.02 -1.01 -2.60 112.91 112.65 3kgd h THR 60 Ca 0.20 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.88 3kgd h THR 60 Cb -0.02 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 3kgd h THR 60 CO -0.07 0.19 -0.31 -0.08 0.37 0.00 0.00 175.52 175.62 3kgd h GLU 61 N 1.05 0.93 0.00 6.66 4.81 -0.86 -0.62 114.58 126.55 3kgd h GLU 61 Ca 0.39 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3kgd h GLU 61 Cb 0.18 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kgd h GLU 61 CO -0.15 1.12 0.00 -0.84 -0.73 0.00 0.00 179.01 178.41 3kgd h ILE 62 N 0.76 0.00 0.00 2.32 3.07 -1.08 -3.29 117.51 119.30 3kgd h ILE 62 Ca 0.08 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 66.04 3kgd h ILE 62 Cb 0.90 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 3kgd h ILE 62 CO 0.08 0.00 -0.09 0.00 -1.05 0.00 0.00 178.15 177.10 3kgd n GLY 64 N -0.46 -0.37 3.77 0.00 0.00 -0.27 -1.33 105.19 106.53 3kgd n GLY 64 Ca 0.03 0.16 -0.33 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 -3.54 2.49 -0.22 4.61 0.00 -1.02 -4.11 121.76 119.98 3kgd s ALA 65 Ca 0.34 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 3kgd s ALA 65 Cb -0.18 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 3kgd s ALA 65 CO 0.85 -1.23 0.12 0.99 0.00 0.00 0.00 175.76 176.49 3kgd s THR 66 N -2.29 5.17 0.00 0.00 2.01 -0.02 -4.95 115.64 115.57 3kgd s THR 66 Ca 0.67 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.81 3kgd s THR 66 Cb -0.21 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 3kgd s THR 66 CO 0.40 0.39 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.94 3kgd s VAL 67 N 0.78 0.76 -0.02 3.82 1.01 -1.26 -0.37 120.40 125.12 3kgd s VAL 67 Ca 0.06 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3kgd s VAL 67 Cb -0.13 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3kgd s VAL 67 CO 0.02 0.13 -0.22 -1.61 0.00 0.00 0.00 175.10 173.42 3kgd s GLU 68 N -0.46 1.78 0.00 2.72 2.02 -0.26 -4.83 118.70 119.66 3kgd s GLU 68 Ca 0.02 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.23 3kgd s GLU 68 Cb -0.05 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.46 3kgd s GLU 68 CO -0.00 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.16 3kgd n GLY 69 N 2.55 0.68 2.78 -1.39 0.00 -1.26 -0.45 105.19 108.10 3kgd n GLY 69 Ca -0.15 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.10 5.54 -2.71 4.61 0.00 -1.26 -4.61 120.51 121.98 3kgd n ALA 70 Ca 0.00 -4.12 -0.12 0.00 0.00 0.00 0.00 53.44 49.20 3kgd n ALA 70 Cb 0.00 -3.20 -0.11 0.00 0.00 0.00 0.00 19.45 16.14 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 1.48 0.56 0.15 0.00 2.02 -1.26 -5.07 118.70 116.58 3kgd s GLU 71 Ca 0.44 -0.87 -0.33 0.00 0.02 0.00 0.00 54.97 54.23 3kgd s GLU 71 Cb 0.12 -0.19 -0.12 0.00 0.10 0.00 0.00 34.13 34.03 3kgd s GLU 71 CO -0.04 0.02 1.70 -0.11 0.02 0.00 0.00 175.26 176.85 3kgd n LEU 72 N 1.13 3.61 0.00 1.80 7.94 -1.26 -1.32 117.00 128.90 3kgd n LEU 72 Ca -0.21 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 3kgd n LEU 72 Cb 0.56 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.02 3kgd n LEU 72 CO 0.23 -0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 3kgd n GLY 73 N 3.83 1.64 3.76 -3.96 0.00 0.18 -4.89 105.19 105.74 3kgd n GLY 73 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.27 6.62 0.00 1.61 0.15 -0.43 -4.20 113.70 114.18 3kgd s SER 74 Ca 0.00 2.74 0.20 0.00 0.70 0.00 0.00 55.95 59.59 3kgd s SER 74 Cb 0.00 -2.64 0.33 0.00 -1.71 0.00 0.00 66.02 62.00 3kgd s SER 74 CO 0.00 -0.70 1.28 0.00 1.20 0.00 0.00 173.24 175.02 3kgd n GLN 75 N 1.73 2.22 -4.01 5.44 6.02 -1.26 -0.58 117.38 126.94 3kgd n GLN 75 Ca 0.05 -2.05 -0.18 0.00 -0.01 0.00 0.00 57.00 54.81 3kgd n GLN 75 Cb 0.40 -1.43 -0.16 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.40 0.47 -0.08 -1.09 3.52 -1.26 -1.46 118.95 117.65 3kgd s ARG 76 Ca 0.32 0.00 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 3kgd s ARG 76 Cb 0.19 -0.58 0.01 0.00 -1.56 0.00 0.00 34.95 33.02 3kgd s ARG 76 CO 0.27 -0.10 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.36 3kgd s LEU 77 N 0.91 1.64 -0.14 -0.88 2.96 -0.14 -4.26 118.68 118.77 3kgd s LEU 77 Ca -0.10 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3kgd s LEU 77 Cb -0.13 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 3kgd s LEU 77 CO -0.01 0.03 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.69 3kgd s LEU 78 N 0.78 2.68 -0.11 -0.68 0.20 0.40 -0.60 118.68 121.34 3kgd s LEU 78 Ca -0.12 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 3kgd s LEU 78 Cb -0.16 -1.60 0.03 0.00 -0.43 0.00 0.00 46.19 44.03 3kgd s LEU 78 CO 0.02 0.15 -0.05 0.12 -0.29 0.00 0.00 176.35 176.30 3kgd s PHE 79 N 0.45 1.30 -0.32 5.38 5.36 -0.29 -1.11 117.98 128.76 3kgd s PHE 79 Ca -0.10 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.25 3kgd s PHE 79 Cb -0.16 -1.13 0.08 0.00 -0.34 0.00 0.00 43.02 41.47 3kgd s PHE 79 CO 0.05 -0.48 0.01 0.50 -1.46 0.00 0.00 175.22 173.83 3kgd s ARG 80 N 1.77 1.86 0.45 10.12 3.52 0.50 -1.88 118.95 135.29 3kgd s ARG 80 Ca 0.04 -1.64 -0.21 0.00 -0.13 0.00 0.00 55.73 53.79 3kgd s ARG 80 Cb -0.13 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 30.03 3kgd s ARG 80 CO -0.07 -0.80 0.98 -1.25 -0.81 0.00 0.00 175.30 173.35 3kgd s PRO 81 N 1.02 4.08 0.00 5.12 0.04 -1.26 -0.84 135.00 143.16 3kgd s PRO 81 Ca 0.03 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3kgd s PRO 81 Cb -0.20 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3kgd s PRO 81 CO -0.06 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.22 3kgd n GLY 82 N -0.51 2.96 3.73 0.56 0.00 -0.44 -4.89 105.19 106.61 3kgd n GLY 82 Ca 0.08 -2.05 -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 1.73 3.18 -0.11 2.61 2.01 -1.21 -4.83 115.64 119.02 3kgd s THR 83 Ca 0.00 0.93 -0.30 0.00 0.31 0.00 0.00 61.69 62.63 3kgd s THR 83 Cb 0.00 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3kgd s THR 83 CO 0.00 0.12 1.27 -0.69 -0.69 0.00 0.00 174.62 174.63 3kgd s VAL 84 N 0.42 4.20 -0.18 3.82 1.01 -1.26 -4.33 120.40 124.07 3kgd s VAL 84 Ca 0.60 1.49 -0.09 0.00 0.00 0.00 0.00 61.98 63.97 3kgd s VAL 84 Cb -0.37 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3kgd s VAL 84 CO 0.36 -0.08 0.13 -0.13 0.00 0.00 0.00 175.10 175.38 3kgd s ARG 85 N 2.99 4.00 0.82 2.72 3.00 -0.03 -2.48 118.95 129.98 3kgd s ARG 85 Ca 0.57 -0.21 -0.11 0.00 0.00 0.00 0.00 55.73 55.98 3kgd s ARG 85 Cb -0.24 -3.35 0.09 0.00 0.00 0.00 0.00 34.95 31.45 3kgd s ARG 85 CO 0.19 0.41 1.12 0.20 0.00 0.00 0.00 175.30 177.21 3kgd s GLY 86 N 0.04 1.71 0.00 -3.53 0.00 -1.26 -4.76 107.32 99.53 3kgd s GLY 86 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3kgd s GLY 86 CO -0.01 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.50 3kgd n GLY 87 N -0.59 -0.81 3.65 0.20 0.00 -1.05 -4.87 105.19 101.71 3kgd n GLY 87 Ca 0.10 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 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 5.90 0.03 1.61 1.01 -1.26 -1.35 116.67 118.60 3kgd s ASP 88 Ca 0.00 0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.42 3kgd s ASP 88 Cb 0.00 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 3kgd s ASP 88 CO 0.00 0.12 -0.19 -0.31 0.21 0.00 0.00 175.17 175.00 3kgd s TYR 89 N 0.74 1.64 -0.06 4.23 2.02 -0.00 -4.97 117.35 120.95 3kgd s TYR 89 Ca 0.06 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3kgd s TYR 89 Cb -0.13 -0.99 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3kgd s TYR 89 CO 0.02 0.05 -0.04 1.03 -1.57 0.00 0.00 175.55 175.04 3kgd s ARG 90 N -1.00 0.88 0.06 -0.62 0.52 -1.26 -1.31 118.95 116.22 3kgd s ARG 90 Ca 0.06 -0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 3kgd s ARG 90 Cb -0.08 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.41 3kgd s ARG 90 CO 0.01 -0.13 -0.20 -0.06 0.02 0.00 0.00 175.30 174.94 3kgd s PHE 91 N 1.17 1.74 -0.10 -0.53 0.08 -0.22 -4.99 117.98 115.13 3kgd s PHE 91 Ca -0.07 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.60 3kgd s PHE 91 Cb -0.14 -1.00 0.02 0.00 -0.57 0.00 0.00 43.02 41.33 3kgd s PHE 91 CO -0.01 0.13 -0.09 0.00 -0.10 0.00 0.00 175.22 175.14 3kgd s ALA 92 N -0.94 1.33 -0.13 5.36 0.00 -1.26 -1.05 121.76 125.07 3kgd s ALA 92 Ca 0.06 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 3kgd s ALA 92 Cb -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3kgd s ALA 92 CO 0.03 -0.26 0.07 -1.50 0.00 0.00 0.00 175.76 174.10 3kgd s ILE 93 N 1.40 4.91 0.79 0.00 2.07 -0.38 -4.95 121.20 125.04 3kgd s ILE 93 Ca -0.01 -0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.13 3kgd s ILE 93 Cb -0.13 -3.15 0.10 0.00 0.13 0.00 0.00 42.46 39.41 3kgd s ILE 93 CO -0.05 0.56 1.13 -0.83 -1.91 0.00 0.00 174.94 173.84 3kgd s GLY 94 N -0.51 1.69 -1.39 1.50 0.00 -1.26 -4.39 107.32 102.95 3kgd s GLY 94 Ca 0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 3kgd s GLY 94 CO 0.02 -0.46 0.27 1.44 0.00 0.00 0.00 173.10 174.38 3kgd n SER 95 N -3.21 -4.89 -1.78 1.64 7.64 -1.26 -1.76 113.62 110.00 3kgd n SER 95 Ca 0.10 -0.11 -0.18 0.00 1.01 0.00 0.00 58.87 59.69 3kgd n SER 95 Cb 0.60 -4.05 -0.04 0.00 -1.01 0.00 0.00 64.21 59.71 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 -2.82 -0.42 -1.33 -0.43 0.00 -1.26 -4.95 120.51 109.29 3kgd n ALA 96 Ca -0.13 0.22 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 3kgd n ALA 96 Cb 0.62 -1.94 0.08 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.46 1.87 -0.14 0.00 0.00 -0.72 -3.24 107.32 102.62 3kgd s GLY 97 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.82 3kgd s GLY 97 CO 0.00 0.75 1.60 -0.56 0.00 0.00 0.00 173.10 174.89 3kgd s SER 98 N -3.04 6.56 0.28 1.64 0.01 -1.26 -0.36 113.70 117.52 3kgd s SER 98 Ca 0.64 1.92 0.01 0.00 1.31 0.00 0.00 55.95 59.82 3kgd s SER 98 Cb -0.19 -2.53 0.54 0.00 0.21 0.00 0.00 66.02 64.05 3kgd s SER 98 CO 0.51 -1.06 1.84 0.00 0.41 0.00 0.00 173.24 174.93 3kgd h THR 100 N 0.99 0.00 -0.19 0.00 1.35 -1.84 -2.42 112.91 110.80 3kgd h THR 100 Ca 0.49 -0.75 -0.13 0.00 -0.55 0.00 0.00 66.41 65.47 3kgd h THR 100 Cb 0.47 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3kgd h THR 100 CO -0.26 0.00 -0.44 -0.07 -0.25 0.00 0.00 175.52 174.50 3kgd h LEU 101 N 0.00 0.48 -0.34 3.87 3.38 -1.86 0.12 115.31 120.96 3kgd h LEU 101 Ca 0.00 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3kgd h LEU 101 Cb 0.76 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kgd h LEU 101 CO 0.00 0.85 -0.13 0.58 0.09 0.00 0.00 178.44 179.83 3kgd h VAL 102 N 0.37 1.28 -0.71 1.22 2.07 -1.55 -2.50 116.25 116.43 3kgd h VAL 102 Ca 0.03 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.37 3kgd h VAL 102 Cb 0.92 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 3kgd h VAL 102 CO 0.08 0.40 0.42 -0.07 0.02 0.00 0.00 177.57 178.42 3kgd h LEU 103 N 0.47 0.66 -1.84 2.57 3.38 -1.24 -1.45 115.31 117.86 3kgd h LEU 103 Ca 0.08 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kgd h LEU 103 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3kgd h LEU 103 CO 0.04 0.44 0.17 -0.61 0.09 0.00 0.00 178.44 178.57 3kgd h GLN 104 N 0.80 0.20 -0.02 1.13 4.15 -0.57 -0.31 115.11 120.49 3kgd h GLN 104 Ca 0.30 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 3kgd h GLN 104 Cb 0.12 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3kgd h GLN 104 CO -0.15 0.13 -0.05 1.15 -1.93 0.00 0.00 178.83 177.98 3kgd h THR 105 N 0.20 1.47 0.00 2.39 2.02 -0.85 -3.39 112.91 114.76 3kgd h THR 105 Ca 0.10 -1.47 -0.24 0.00 0.77 0.00 0.00 66.41 65.57 3kgd h THR 105 Cb 0.16 2.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 3kgd h THR 105 CO -0.02 0.39 -1.65 1.33 0.37 0.00 0.00 175.52 175.94 3kgd n VAL 106 N -4.74 1.40 -0.19 3.16 0.24 -0.71 -4.14 118.33 113.37 3kgd n VAL 106 Ca -0.09 -0.75 -0.07 0.00 -2.04 0.00 0.00 64.34 61.39 3kgd n VAL 106 Cb 0.33 -0.86 0.08 0.00 -1.47 0.00 0.00 33.84 31.92 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 0.96 -1.42 1.34 3.38 -1.25 -1.90 115.31 116.41 3kgd h LEU 107 Ca -0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 3kgd h LEU 107 Cb 1.84 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 3kgd h LEU 107 CO 0.06 1.00 -0.05 -0.65 0.09 0.00 0.00 178.44 178.88 3kgd h PRO 108 N 0.92 0.31 -0.42 1.13 0.11 -1.78 -0.77 132.00 131.51 3kgd h PRO 108 Ca 0.18 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 3kgd h PRO 108 Cb 0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3kgd h PRO 108 CO 0.02 0.39 -0.20 0.00 -0.21 0.00 0.00 178.00 177.99 3kgd h ALA 109 N 1.65 0.85 0.00 -0.75 0.00 -1.65 -2.80 119.26 116.56 3kgd h ALA 109 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kgd h ALA 109 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kgd h ALA 109 CO 0.01 0.64 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 3kgd h LEU 110 N 0.73 0.00 -2.24 0.00 3.38 -0.40 0.40 115.31 117.17 3kgd h LEU 110 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kgd h LEU 110 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3kgd h LEU 110 CO 0.06 0.00 0.06 -0.50 0.09 0.00 0.00 178.44 178.15 3kgd h TRP 111 N 0.00 0.00 -0.02 1.13 6.55 -1.07 -2.05 115.95 120.49 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 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 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 -2.73 0.05 -1.35 0.49 3.01 0.11 -0.50 117.46 116.54 3kgd n PHE 112 Ca -0.02 -0.76 -0.30 0.00 1.01 0.00 0.00 57.45 57.38 3kgd n PHE 112 Cb 0.11 -0.11 0.11 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.98 1.99 -0.56 4.37 0.00 -0.77 -4.79 121.76 120.03 3kgd s ALA 113 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.14 3kgd s ALA 113 Cb 0.15 -3.18 0.29 0.00 0.00 0.00 0.00 23.12 20.38 3kgd s ALA 113 CO 0.02 -1.95 1.07 -0.40 0.00 0.00 0.00 175.76 174.50 3kgd n ASP 114 N -3.61 2.91 0.00 0.00 5.68 -1.03 -4.73 116.55 115.76 3kgd n ASP 114 Ca 0.07 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 51.95 3kgd n ASP 114 Cb 0.55 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3kgd n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kgd n GLY 115 N 0.13 0.20 3.81 6.12 0.00 -1.26 -4.70 105.19 109.49 3kgd n GLY 115 Ca 0.14 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 2.91 0.05 1.61 0.05 -1.26 -4.17 135.00 132.19 3kgd s PRO 116 Ca 0.00 1.06 -0.02 0.00 0.05 0.00 0.00 61.00 62.10 3kgd s PRO 116 Cb 0.00 -1.98 -0.03 0.00 0.05 0.00 0.00 34.50 32.53 3kgd s PRO 116 CO 0.00 -1.13 -0.01 -1.12 0.05 0.00 0.00 177.00 174.79 3kgd s SER 117 N -3.46 0.44 -0.03 6.66 0.01 -0.35 -2.55 113.70 114.43 3kgd s SER 117 Ca 0.60 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.96 3kgd s SER 117 Cb -0.15 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.29 3kgd s SER 117 CO 0.51 -0.58 -0.06 -0.60 0.41 0.00 0.00 173.24 172.92 3kgd s ARG 118 N -3.67 0.72 -0.09 12.44 3.52 -0.46 -1.29 118.95 130.12 3kgd s ARG 118 Ca 0.05 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 3kgd s ARG 118 Cb 0.06 -0.71 0.01 0.00 -1.56 0.00 0.00 34.95 32.74 3kgd s ARG 118 CO -0.09 0.03 -0.19 0.08 -0.81 0.00 0.00 175.30 174.31 3kgd s VAL 119 N 0.43 1.69 -0.08 7.11 1.01 0.19 -0.82 120.40 129.93 3kgd s VAL 119 Ca -0.06 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3kgd s VAL 119 Cb -0.09 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 3kgd s VAL 119 CO 0.00 0.48 -0.24 -0.70 0.00 0.00 0.00 175.10 174.64 3kgd s GLU 120 N 0.56 2.75 -0.04 2.72 2.12 -0.43 -0.02 118.70 126.36 3kgd s GLU 120 Ca -0.15 -0.86 0.04 0.00 0.36 0.00 0.00 54.97 54.36 3kgd s GLU 120 Cb -0.17 -2.18 -0.00 0.00 0.26 0.00 0.00 34.13 32.04 3kgd s GLU 120 CO 0.05 0.26 -0.15 0.08 -0.54 0.00 0.00 175.26 174.95 3kgd s VAL 121 N 0.14 1.30 0.12 3.70 1.01 0.16 -1.05 120.40 125.78 3kgd s VAL 121 Ca -0.12 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3kgd s VAL 121 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3kgd s VAL 121 CO 0.06 0.38 -0.02 -0.94 0.00 0.00 0.00 175.10 174.59 3kgd s SER 122 N 0.10 4.83 0.00 3.32 1.04 -0.21 -1.45 113.70 121.33 3kgd s SER 122 Ca -0.04 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3kgd s SER 122 Cb -0.11 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.93 3kgd s SER 122 CO 0.02 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.00 3kgd n GLY 123 N 0.38 -0.01 3.82 7.32 0.00 -0.53 -1.25 105.19 114.92 3kgd n GLY 123 Ca -0.11 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 2.59 0.00 -0.02 0.00 0.51 -0.24 107.32 110.16 3kgd s GLY 124 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 3kgd s GLY 124 CO 0.00 0.53 0.00 -1.30 0.00 0.00 0.00 173.10 172.33 3kgd n THR 125 N 0.51 0.00 -2.47 0.90 -2.24 0.00 -0.87 114.28 110.12 3kgd n THR 125 Ca -0.01 -0.33 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 3kgd n THR 125 Cb 0.51 0.86 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.01 3.48 -4.85 3.42 9.92 -1.21 -4.49 116.55 121.80 3kgd n ASP 126 Ca 0.00 -3.22 -0.28 0.00 -0.53 0.00 0.00 54.79 50.76 3kgd n ASP 126 Cb 0.00 -0.45 -0.05 0.00 -0.64 0.00 0.00 41.12 39.98 3kgd n ASP 126 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3kgd s ASN 127 N -3.49 5.87 0.84 -2.24 0.01 -1.26 -4.78 114.94 109.88 3kgd s ASN 127 Ca 0.40 0.04 -0.11 0.00 -0.71 0.00 0.00 52.86 52.48 3kgd s ASN 127 Cb 0.40 -1.66 0.10 0.00 0.41 0.00 0.00 41.25 40.51 3kgd s ASN 127 CO -0.06 0.11 1.14 -2.84 -1.51 0.00 0.00 177.10 173.94 3kgd s PRO 128 N -2.87 1.55 -0.83 -0.60 0.02 -1.26 -3.80 135.00 127.21 3kgd s PRO 128 Ca 0.32 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3kgd s PRO 128 Cb -0.11 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3kgd s PRO 128 CO 0.25 -2.22 0.00 0.43 -0.33 0.00 0.00 177.00 175.13 3kgd n SER 129 N -3.76 -3.54 -3.76 2.53 7.64 -1.26 -5.00 113.62 106.47 3kgd n SER 129 Ca 0.11 0.10 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 3kgd n SER 129 Cb 0.52 -2.33 -0.07 0.00 -1.01 0.00 0.00 64.21 61.31 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 -2.38 -0.65 0.02 -0.43 0.00 -1.25 -5.06 121.76 112.00 3kgd s ALA 130 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3kgd s ALA 130 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3kgd s ALA 130 CO 0.00 -0.42 1.22 -2.14 0.00 0.00 0.00 175.76 174.42 3kgd s PRO 131 N -2.64 4.39 0.58 0.00 0.02 -1.26 -4.91 135.00 131.18 3kgd s PRO 131 Ca -0.04 1.76 -0.19 0.00 0.02 0.00 0.00 61.00 62.54 3kgd s PRO 131 Cb -0.01 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3kgd s PRO 131 CO -0.04 -0.36 1.23 -2.14 -0.33 0.00 0.00 177.00 175.36 3kgd s PRO 132 N 1.59 3.03 0.39 5.54 0.02 -1.26 -4.72 135.00 139.59 3kgd s PRO 132 Ca 0.58 1.88 0.12 0.00 0.02 0.00 0.00 61.00 63.61 3kgd s PRO 132 Cb -0.28 -2.00 0.94 0.00 0.02 0.00 0.00 34.50 33.18 3kgd s PRO 132 CO 0.26 -1.17 1.88 0.00 -0.33 0.00 0.00 177.00 177.64 3kgd h ALA 133 N 1.02 1.98 0.00 -1.55 0.00 -1.94 -0.49 119.26 118.28 3kgd h ALA 133 Ca -0.50 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3kgd h ALA 133 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kgd h ALA 133 CO 0.56 -0.22 -0.32 -0.44 0.00 0.00 0.00 179.25 178.82 3kgd h ASP 134 N 0.56 0.00 -0.11 0.00 3.45 -1.95 -0.04 116.42 118.33 3kgd h ASP 134 Ca 0.43 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.81 3kgd h ASP 134 Cb 0.85 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 3kgd h ASP 134 CO -0.18 0.32 -0.27 0.15 -1.57 0.00 0.00 179.24 177.69 3kgd h PHE 135 N 0.00 0.48 -0.21 4.55 3.04 -1.47 -0.20 116.94 123.13 3kgd h PHE 135 Ca -0.00 -0.18 0.04 0.00 3.98 0.00 0.00 57.97 61.80 3kgd h PHE 135 Cb 0.75 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.14 3kgd h PHE 135 CO 0.00 0.88 -0.04 0.82 -2.02 0.00 0.00 178.31 177.95 3kgd h ILE 136 N -0.06 0.80 -0.27 1.41 1.08 -0.85 0.17 117.51 119.79 3kgd h ILE 136 Ca -0.00 -0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3kgd h ILE 136 Cb 0.87 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 3kgd h ILE 136 CO 0.06 0.00 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.39 3kgd h ARG 137 N 0.01 0.51 0.00 2.37 2.43 -1.03 0.12 114.38 118.79 3kgd h ARG 137 Ca 0.10 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3kgd h ARG 137 Cb 0.15 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3kgd h ARG 137 CO -0.21 0.70 -1.51 0.54 -1.51 0.00 0.00 179.97 177.98 3kgd n ARG 138 N -4.55 0.50 -0.03 0.20 1.74 -0.09 -4.16 116.66 110.27 3kgd n ARG 138 Ca -0.03 -0.11 -0.07 0.00 -0.77 0.00 0.00 57.85 56.87 3kgd n ARG 138 Cb 0.29 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.90 0.93 -0.02 1.55 0.31 -0.04 -4.77 118.33 114.39 3kgd n VAL 139 Ca -0.00 0.08 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 3kgd n VAL 139 Cb 0.44 -1.75 -0.11 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.36 0.31 -1.12 7.52 5.85 -1.23 -3.35 115.31 122.93 3kgd h LEU 140 Ca -0.13 -0.76 -0.04 0.00 0.84 0.00 0.00 57.88 57.79 3kgd h LEU 140 Cb 0.81 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3kgd h LEU 140 CO -0.08 1.03 0.16 -0.33 -0.34 0.00 0.00 178.44 178.88 3kgd h GLU 141 N -0.38 0.78 -0.44 1.25 5.08 -0.92 -0.30 114.58 119.65 3kgd h GLU 141 Ca -0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3kgd h GLU 141 Cb 1.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3kgd h GLU 141 CO 0.07 0.68 0.14 -1.35 -1.00 0.00 0.00 179.01 177.55 3kgd h PRO 142 N 0.76 0.63 -0.13 2.33 0.11 -1.75 -0.40 132.00 133.55 3kgd h PRO 142 Ca 0.17 -0.10 -0.23 0.00 0.11 0.00 0.00 66.00 65.96 3kgd h PRO 142 Cb 0.23 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.24 3kgd h PRO 142 CO -0.01 0.55 -0.82 -0.07 -0.21 0.00 0.00 178.00 177.45 3kgd h LEU 143 N 0.62 0.95 -0.72 2.35 3.38 -1.49 -2.82 115.31 117.59 3kgd h LEU 143 Ca 0.15 -0.65 0.07 0.00 0.09 0.00 0.00 57.88 57.54 3kgd h LEU 143 Cb 0.18 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 3kgd h LEU 143 CO -0.01 1.44 0.40 -0.07 0.09 0.00 0.00 178.44 180.30 3kgd h LEU 144 N 0.52 0.59 -1.12 1.67 3.38 -0.82 -2.12 115.31 117.41 3kgd h LEU 144 Ca -0.07 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3kgd h LEU 144 Cb 1.45 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 3kgd h LEU 144 CO 0.17 0.37 0.60 0.00 0.09 0.00 0.00 178.44 179.67 3kgd h ALA 145 N 1.38 1.52 -0.18 1.53 0.00 -0.83 -0.16 119.26 122.52 3kgd h ALA 145 Ca 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3kgd h ALA 145 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kgd h ALA 145 CO -0.20 0.32 -0.04 0.87 0.00 0.00 0.00 179.25 180.20 3kgd h LYS 146 N 1.02 0.26 0.00 0.00 1.57 -1.14 -2.35 116.57 115.93 3kgd h LYS 146 Ca 0.41 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3kgd h LYS 146 Cb 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kgd h LYS 146 CO -0.17 0.33 -0.11 -0.89 -0.57 0.00 0.00 179.45 178.04 3kgd n ILE 147 N -4.34 0.55 0.00 1.86 5.41 -0.51 -4.54 119.36 117.79 3kgd n ILE 147 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.46 3kgd n ILE 147 Cb 0.21 -0.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 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 1.31 1.11 3.65 7.39 0.00 -0.65 -0.31 105.19 117.70 3kgd n GLY 148 Ca 0.05 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 4.97 -0.26 -0.61 1.01 -0.19 -4.56 121.20 119.56 3kgd s ILE 149 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3kgd s ILE 149 Cb 0.00 -3.26 0.05 0.00 0.01 0.00 0.00 42.46 39.25 3kgd s ILE 149 CO 0.00 0.43 -0.08 -1.00 0.00 0.00 0.00 174.94 174.30 3kgd s HIS 150 N 0.53 3.17 -0.08 3.97 3.76 -1.26 -2.64 115.29 122.74 3kgd s HIS 150 Ca 0.05 -1.95 -0.09 0.00 -0.15 0.00 0.00 55.06 52.91 3kgd s HIS 150 Cb -0.12 -2.01 0.02 0.00 1.11 0.00 0.00 32.58 31.58 3kgd s HIS 150 CO 0.00 -0.82 0.25 1.14 -0.85 0.00 0.00 174.74 174.47 3kgd s GLN 151 N 1.21 0.36 -0.08 1.40 -2.07 -1.26 -2.36 119.66 116.87 3kgd s GLN 151 Ca -0.04 0.21 -0.01 0.00 -1.82 0.00 0.00 55.36 53.69 3kgd s GLN 151 Cb -0.18 0.17 0.03 0.00 -1.09 0.00 0.00 33.01 31.93 3kgd s GLN 151 CO -0.05 -0.06 -0.01 -0.65 -1.32 0.00 0.00 175.29 173.20 3kgd s GLN 152 N -0.21 0.75 -0.10 9.60 1.11 -0.07 -4.93 119.66 125.81 3kgd s GLN 152 Ca -0.03 0.05 -0.02 0.00 0.01 0.00 0.00 55.36 55.36 3kgd s GLN 152 Cb -0.03 -1.08 -0.03 0.00 -1.01 0.00 0.00 33.01 30.86 3kgd s GLN 152 CO 0.01 -0.30 -0.02 0.99 0.01 0.00 0.00 175.29 175.98 3kgd s THR 153 N 1.93 4.10 -0.03 -0.19 2.01 -1.26 -1.18 115.64 121.03 3kgd s THR 153 Ca 0.05 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.75 3kgd s THR 153 Cb -0.12 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.66 3kgd s THR 153 CO -0.06 0.57 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.50 3kgd s THR 154 N -0.55 0.58 -0.20 -0.82 2.01 0.12 -4.72 115.64 112.07 3kgd s THR 154 Ca 0.09 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 3kgd s THR 154 Cb -0.12 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 3kgd s THR 154 CO 0.02 0.21 0.73 -0.22 -0.69 0.00 0.00 174.62 174.67 3kgd s LEU 155 N 0.51 4.14 -0.13 4.42 0.20 -1.26 -0.79 118.68 125.77 3kgd s LEU 155 Ca -0.07 0.98 0.01 0.00 0.69 0.00 0.00 54.13 55.74 3kgd s LEU 155 Cb -0.11 -3.05 -0.24 0.00 -0.43 0.00 0.00 46.19 42.36 3kgd s LEU 155 CO 0.00 -0.35 0.33 0.18 -0.29 0.00 0.00 176.35 176.22 3kgd n LEU 156 N 5.26 2.06 -3.72 -0.68 4.32 0.64 -4.96 117.00 119.93 3kgd n LEU 156 Ca 0.02 0.19 -0.13 0.00 -0.02 0.00 0.00 56.01 56.07 3kgd n LEU 156 Cb 0.49 -0.65 -0.10 0.00 -1.62 0.00 0.00 43.42 41.54 3kgd n LEU 156 CO 0.46 0.73 0.14 -0.60 -1.22 0.00 0.00 177.39 176.89 3kgd s ARG 157 N -2.56 0.53 0.40 3.23 3.52 -0.95 -4.90 118.95 118.23 3kgd s ARG 157 Ca -0.19 0.65 -0.23 0.00 -0.13 0.00 0.00 55.73 55.82 3kgd s ARG 157 Cb 0.07 0.25 -0.10 0.00 -1.56 0.00 0.00 34.95 33.62 3kgd s ARG 157 CO 0.76 -0.07 1.00 -1.01 -0.81 0.00 0.00 175.30 175.18 3kgd s HIS 158 N 0.28 3.33 -0.13 5.12 3.76 -1.26 -0.51 115.29 125.87 3kgd s HIS 158 Ca -0.00 1.66 -0.03 0.00 -0.15 0.00 0.00 55.06 56.53 3kgd s HIS 158 Cb -0.03 -3.02 0.05 0.00 1.11 0.00 0.00 32.58 30.69 3kgd s HIS 158 CO 0.00 -0.37 0.05 0.20 -0.85 0.00 0.00 174.74 173.77 3kgd s GLY 159 N -1.76 0.45 0.38 -2.22 0.00 -1.26 -3.87 107.32 99.03 3kgd s GLY 159 Ca 0.58 -0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 3kgd s GLY 159 CO 0.23 1.45 0.64 -1.36 0.00 0.00 0.00 173.10 174.06 3kgd s PHE 160 N 2.03 3.51 0.24 1.90 0.08 -1.26 -0.82 117.98 123.66 3kgd s PHE 160 Ca 0.02 0.62 -0.30 0.00 0.12 0.00 0.00 56.93 57.40 3kgd s PHE 160 Cb -0.15 -2.12 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 3kgd s PHE 160 CO -0.07 -0.00 1.29 -0.47 -0.10 0.00 0.00 175.22 175.87 3kgd s TYR 161 N -2.38 3.24 -2.19 0.36 5.04 -1.26 -0.77 117.35 119.38 3kgd s TYR 161 Ca 0.44 1.31 0.19 0.00 -2.44 0.00 0.00 57.07 56.58 3kgd s TYR 161 Cb -0.10 -3.59 0.26 0.00 0.35 0.00 0.00 41.96 38.88 3kgd s TYR 161 CO 0.37 -1.75 1.21 -0.35 -1.34 0.00 0.00 175.55 173.69 3kgd n PRO 162 N 2.04 2.01 0.14 4.97 -0.04 -1.26 -4.90 135.00 137.96 3kgd n PRO 162 Ca 0.04 -1.89 0.01 0.00 -0.04 0.00 0.00 63.50 61.61 3kgd n PRO 162 Cb 0.43 -1.40 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 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 3.73 0.85 -0.99 0.55 0.00 -1.70 -3.42 119.26 118.27 3kgd h ALA 163 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kgd h ALA 163 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3kgd h ALA 163 CO 0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3kgd n GLY 164 N 0.53 1.75 1.68 0.00 0.00 0.05 -4.86 105.19 104.34 3kgd n GLY 164 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.64 3.84 -0.02 0.00 -1.21 -4.21 105.19 104.23 3kgd n GLY 165 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.97 1.65 -0.08 -0.02 0.00 0.66 -4.68 107.32 102.88 3kgd s GLY 166 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.58 3kgd s GLY 166 CO 0.00 0.24 0.17 0.14 0.00 0.00 0.00 173.10 173.65 3kgd s VAL 167 N -3.16 -0.14 0.01 1.40 1.01 0.33 -1.45 120.40 118.41 3kgd s VAL 167 Ca 0.58 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.86 3kgd s VAL 167 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 3kgd s VAL 167 CO 0.54 0.10 -0.17 -0.69 0.00 0.00 0.00 175.10 174.88 3kgd s VAL 168 N 1.62 1.37 0.03 2.92 1.01 -0.53 -0.26 120.40 126.56 3kgd s VAL 168 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3kgd s VAL 168 Cb -0.12 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 3kgd s VAL 168 CO -0.06 0.25 -0.10 0.00 0.00 0.00 0.00 175.10 175.19 3kgd s ALA 169 N -0.59 0.78 -0.03 5.51 0.00 0.03 -0.67 121.76 126.79 3kgd s ALA 169 Ca 0.06 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3kgd s ALA 169 Cb -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.96 3kgd s ALA 169 CO 0.00 0.11 -0.09 0.99 0.00 0.00 0.00 175.76 176.78 3kgd s THR 170 N -0.81 0.82 -0.14 0.00 2.01 0.98 -0.70 115.64 117.79 3kgd s THR 170 Ca -0.02 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 3kgd s THR 170 Cb -0.07 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 3kgd s THR 170 CO 0.01 0.26 0.10 -1.61 -0.69 0.00 0.00 174.62 172.69 3kgd s GLU 171 N 0.33 3.61 0.04 4.92 0.41 -0.32 -0.64 118.70 127.05 3kgd s GLU 171 Ca -0.06 -0.23 0.02 0.00 -0.41 0.00 0.00 54.97 54.29 3kgd s GLU 171 Cb -0.10 -3.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 3kgd s GLU 171 CO 0.01 0.58 -0.08 0.08 -0.49 0.00 0.00 175.26 175.36 3kgd s VAL 172 N -0.47 0.55 0.05 2.63 1.01 -0.41 -0.89 120.40 122.86 3kgd s VAL 172 Ca 0.11 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3kgd s VAL 172 Cb -0.12 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 3kgd s VAL 172 CO 0.02 -0.31 -0.21 -0.44 0.00 0.00 0.00 175.10 174.16 3kgd s SER 173 N -1.39 2.49 0.55 3.32 0.01 -0.99 -1.21 113.70 116.48 3kgd s SER 173 Ca -0.08 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 56.42 3kgd s SER 173 Cb -0.09 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 3kgd s SER 173 CO 0.00 0.15 1.30 -2.84 0.41 0.00 0.00 173.24 172.26 3kgd s PRO 174 N -1.28 3.17 0.30 12.44 0.02 -1.26 -4.53 135.00 143.86 3kgd s PRO 174 Ca 0.07 2.09 -0.29 0.00 0.02 0.00 0.00 61.00 62.89 3kgd s PRO 174 Cb -0.09 -2.20 -0.10 0.00 0.02 0.00 0.00 34.50 32.13 3kgd s PRO 174 CO 0.02 -1.12 1.19 0.08 -0.33 0.00 0.00 177.00 176.84 3kgd s VAL 175 N -1.39 3.16 -0.24 3.83 1.01 0.35 -4.94 120.40 122.18 3kgd s VAL 175 Ca 0.72 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 63.70 3kgd s VAL 175 Cb -0.37 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 3kgd s VAL 175 CO 0.43 0.27 -0.28 0.00 0.00 0.00 0.00 175.10 175.52 3kgd n ALA 176 N 1.09 1.04 -2.87 5.51 0.00 -1.26 -4.97 120.51 119.04 3kgd n ALA 176 Ca -0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 3kgd n ALA 176 Cb 0.43 0.02 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 3kgd n ALA 176 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kgd s SER 177 N -6.96 0.15 0.20 0.00 1.04 -1.26 -5.16 113.70 101.71 3kgd s SER 177 Ca -0.34 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 3kgd s SER 177 Cb 0.11 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 3kgd s SER 177 CO 0.47 -0.04 0.44 -0.36 0.98 0.00 0.00 173.24 174.73 3kgd s PHE 178 N -0.28 3.47 0.35 5.02 0.08 -1.26 -4.50 117.98 120.87 3kgd s PHE 178 Ca -0.02 0.53 0.09 0.00 0.12 0.00 0.00 56.93 57.64 3kgd s PHE 178 Cb -0.02 -2.00 -0.07 0.00 -0.57 0.00 0.00 43.02 40.36 3kgd s PHE 178 CO -0.00 0.34 -0.07 -0.80 -0.10 0.00 0.00 175.22 174.58 3kgd s ASN 179 N -2.85 3.66 -0.38 1.36 0.01 0.58 -4.96 114.94 112.36 3kgd s ASN 179 Ca 0.41 -1.23 -0.15 0.00 -0.71 0.00 0.00 52.86 51.19 3kgd s ASN 179 Cb -0.11 -0.34 0.00 0.00 0.41 0.00 0.00 41.25 41.21 3kgd s ASN 179 CO 0.27 -0.26 0.31 -0.89 -1.51 0.00 0.00 177.10 175.02 3kgd s THR 180 N -2.67 5.23 -0.13 1.60 2.01 -1.26 -4.71 115.64 115.71 3kgd s THR 180 Ca 0.33 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 3kgd s THR 180 Cb 0.04 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 3kgd s THR 180 CO 0.16 -0.21 0.43 -0.22 -0.69 0.00 0.00 174.62 174.09 3kgd s LEU 181 N 1.80 4.26 -0.16 4.42 2.96 -1.26 -4.95 118.68 125.75 3kgd s LEU 181 Ca 0.07 0.72 0.00 0.00 -0.22 0.00 0.00 54.13 54.70 3kgd s LEU 181 Cb -0.18 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 43.94 3kgd s LEU 181 CO 0.11 0.02 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.94 3kgd s GLN 182 N 0.62 2.12 0.12 1.98 -0.21 -1.26 -1.81 119.66 121.21 3kgd s GLN 182 Ca 0.23 -0.58 0.10 0.00 0.02 0.00 0.00 55.36 55.12 3kgd s GLN 182 Cb -0.14 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 3kgd s GLN 182 CO 0.08 -0.29 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.21 3kgd s LEU 183 N 1.50 2.32 0.00 2.90 1.43 -0.38 -4.98 118.68 121.47 3kgd s LEU 183 Ca 0.03 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.41 3kgd s LEU 183 Cb -0.14 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.03 3kgd s LEU 183 CO -0.10 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3kgd n GLY 184 N 0.96 3.37 3.74 -3.19 0.00 -1.26 -3.20 105.19 105.60 3kgd n GLY 184 Ca -0.18 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 2.89 2.69 0.19 1.61 -1.05 -1.26 -1.23 118.70 122.54 3kgd s GLU 185 Ca 0.00 2.09 0.06 0.00 -0.15 0.00 0.00 54.97 56.97 3kgd s GLU 185 Cb 0.00 -1.93 0.07 0.00 -0.44 0.00 0.00 34.13 31.83 3kgd s GLU 185 CO 0.00 -1.50 1.44 -0.09 0.95 0.00 0.00 175.26 176.06 3kgd h ARG 186 N 0.75 0.10 0.00 -4.83 2.43 -1.06 -3.39 114.38 108.38 3kgd h ARG 186 Ca -0.51 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3kgd h ARG 186 Cb 1.33 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3kgd h ARG 186 CO 0.54 0.85 0.00 0.41 -1.51 0.00 0.00 179.97 180.26 3kgd n GLY 187 N 0.76 -1.82 3.93 2.80 0.00 -1.26 -2.04 105.19 107.55 3kgd n GLY 187 Ca -0.02 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 3kgd n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgd s ASN 188 N -4.00 5.32 0.11 1.61 2.20 -1.26 -4.62 114.94 114.29 3kgd s ASN 188 Ca 0.00 0.58 -0.30 0.00 -0.94 0.00 0.00 52.86 52.20 3kgd s ASN 188 Cb 0.00 -1.46 -0.06 0.00 -2.00 0.00 0.00 41.25 37.74 3kgd s ASN 188 CO 0.00 -1.24 0.99 -0.63 -2.94 0.00 0.00 177.10 173.28 3kgd s ILE 189 N -3.06 4.44 -0.27 0.54 1.01 -1.26 -0.63 121.20 121.97 3kgd s ILE 189 Ca 0.56 1.99 -0.13 0.00 0.00 0.00 0.00 60.65 63.07 3kgd s ILE 189 Cb -0.11 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 37.96 3kgd s ILE 189 CO 0.44 0.29 -0.27 0.52 0.00 0.00 0.00 174.94 175.93 3kgd n VAL 190 N 2.88 1.53 -3.47 2.92 0.31 0.81 -4.89 118.33 118.42 3kgd n VAL 190 Ca 0.03 -0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 3kgd n VAL 190 Cb 0.49 -1.86 -0.04 0.00 -0.91 0.00 0.00 33.84 31.53 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 1.18 -0.05 5.55 -2.07 -0.78 -5.02 119.66 115.96 3kgd s GLN 191 Ca -0.37 -0.18 0.06 0.00 -1.82 0.00 0.00 55.36 53.04 3kgd s GLN 191 Cb 0.13 0.55 -0.02 0.00 -1.09 0.00 0.00 33.01 32.58 3kgd s GLN 191 CO 0.52 -0.46 -0.22 -1.64 -1.32 0.00 0.00 175.29 172.17 3kgd s MET 192 N -2.69 2.52 -0.13 9.60 -1.94 -1.26 -0.69 119.30 124.71 3kgd s MET 192 Ca -0.04 -0.85 -0.00 0.00 -1.71 0.00 0.00 55.69 53.09 3kgd s MET 192 Cb -0.01 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.64 3kgd s MET 192 CO -0.04 0.45 -0.10 0.50 -0.01 0.00 0.00 175.02 175.82 3kgd s ARG 193 N -0.32 1.85 -0.08 2.03 3.52 -0.11 -0.83 118.95 125.02 3kgd s ARG 193 Ca 0.01 -0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.18 3kgd s ARG 193 Cb -0.13 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 3kgd s ARG 193 CO 0.02 -0.25 0.15 0.20 -0.81 0.00 0.00 175.30 174.62 3kgd s GLY 194 N 1.60 2.16 0.00 8.12 0.00 0.04 -0.65 107.32 118.58 3kgd s GLY 194 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.09 3kgd s GLY 194 CO -0.09 -0.49 -0.06 -0.54 0.00 0.00 0.00 173.10 171.92 3kgd s GLU 195 N -1.37 0.50 -0.04 2.90 2.02 -0.56 -0.64 118.70 121.50 3kgd s GLU 195 Ca 0.20 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.92 3kgd s GLU 195 Cb -0.12 -0.45 -0.01 0.00 0.10 0.00 0.00 34.13 33.65 3kgd s GLU 195 CO 0.09 0.12 -0.20 0.08 0.02 0.00 0.00 175.26 175.37 3kgd s VAL 196 N -0.37 1.62 -0.16 2.63 1.01 -0.17 -0.59 120.40 124.38 3kgd s VAL 196 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3kgd s VAL 196 Cb -0.04 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3kgd s VAL 196 CO -0.00 0.46 -0.06 -0.22 0.00 0.00 0.00 175.10 175.28 3kgd s LEU 197 N -0.16 3.04 -0.02 3.92 2.96 -0.31 -0.98 118.68 127.14 3kgd s LEU 197 Ca -0.00 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3kgd s LEU 197 Cb -0.11 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3kgd s LEU 197 CO 0.02 0.14 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.28 3kgd s LEU 198 N 0.54 1.96 -0.12 -0.68 1.02 -0.25 -1.48 118.68 119.68 3kgd s LEU 198 Ca -0.05 -0.27 -0.03 0.00 0.02 0.00 0.00 54.13 53.80 3kgd s LEU 198 Cb -0.15 -0.78 0.04 0.00 0.02 0.00 0.00 46.19 45.33 3kgd s LEU 198 CO 0.03 0.16 0.05 0.00 0.02 0.00 0.00 176.35 176.60 3kgd s ALA 199 N -0.17 0.58 -1.90 4.21 0.00 -0.27 -1.85 121.76 122.36 3kgd s ALA 199 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3kgd s ALA 199 Cb -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3kgd s ALA 199 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3kgd n GLY 200 N 5.20 0.29 3.35 0.00 0.00 -1.26 -1.01 105.19 111.76 3kgd n GLY 200 Ca -0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 3kgd n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kgd s VAL 201 N -2.94 1.87 0.77 1.61 0.11 -1.26 -4.76 120.40 115.79 3kgd s VAL 201 Ca 0.00 -2.08 -0.13 0.00 -2.93 0.00 0.00 61.98 56.84 3kgd s VAL 201 Cb 0.00 -1.97 0.06 0.00 -1.53 0.00 0.00 36.38 32.94 3kgd s VAL 201 CO 0.00 -0.42 1.15 -2.84 -3.33 0.00 0.00 175.10 169.66 3kgd s PRO 202 N -3.17 2.05 0.28 1.54 0.02 -1.26 -4.91 135.00 129.55 3kgd s PRO 202 Ca 0.20 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.73 3kgd s PRO 202 Cb -0.04 -1.85 0.42 0.00 0.02 0.00 0.00 34.50 33.05 3kgd s PRO 202 CO 0.08 -1.85 1.78 0.00 -0.33 0.00 0.00 177.00 176.67 3kgd h ARG 203 N -0.77 0.66 -0.24 5.54 3.08 -2.01 -3.29 114.38 117.36 3kgd h ARG 203 Ca -0.45 -0.18 0.07 0.00 0.07 0.00 0.00 59.98 59.48 3kgd h ARG 203 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3kgd h ARG 203 CO 0.49 0.72 0.45 1.12 -1.07 0.00 0.00 179.97 181.67 3kgd h HIS 204 N 0.62 0.00 -0.08 3.04 2.07 -2.02 0.18 115.15 118.96 3kgd h HIS 204 Ca 0.12 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.50 3kgd h HIS 204 Cb 0.46 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.43 3kgd h HIS 204 CO 0.02 0.00 -0.59 -0.39 -3.07 0.00 0.00 177.93 173.90 3kgd h VAL 205 N 0.00 1.38 -0.05 6.12 -1.51 -1.96 -3.19 116.25 117.04 3kgd h VAL 205 Ca 0.11 -1.94 -0.01 0.00 -1.23 0.00 0.00 66.70 63.64 3kgd h VAL 205 Cb 1.00 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 32.13 3kgd h VAL 205 CO -0.00 0.57 0.01 0.00 -1.23 0.00 0.00 177.57 176.93 3kgd h ALA 206 N 1.20 0.07 -0.68 5.19 0.00 -0.87 0.10 119.26 124.26 3kgd h ALA 206 Ca -0.00 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3kgd h ALA 206 Cb 1.08 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3kgd h ALA 206 CO 0.09 -0.31 0.36 1.49 0.00 0.00 0.00 179.25 180.88 3kgd h GLU 207 N -0.13 0.62 -0.73 0.00 4.22 -1.65 0.34 114.58 117.25 3kgd h GLU 207 Ca 0.02 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.36 3kgd h GLU 207 Cb 0.23 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3kgd h GLU 207 CO 0.00 0.41 0.24 -0.09 -2.18 0.00 0.00 179.01 177.39 3kgd h ARG 208 N 0.63 1.13 -0.19 1.92 9.65 -1.49 0.23 114.38 126.26 3kgd h ARG 208 Ca 0.32 -0.24 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 3kgd h ARG 208 Cb 0.28 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3kgd h ARG 208 CO -0.23 0.96 0.02 0.93 2.80 0.00 0.00 179.97 184.45 3kgd h GLU 209 N 1.08 0.32 -0.56 0.20 5.08 -0.09 -0.06 114.58 120.55 3kgd h GLU 209 Ca 0.24 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3kgd h GLU 209 Cb 0.29 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3kgd h GLU 209 CO -0.01 0.49 0.12 0.82 -1.00 0.00 0.00 179.01 179.44 3kgd h ILE 210 N 0.10 1.23 -0.83 3.13 1.08 -0.83 -1.79 117.51 119.60 3kgd h ILE 210 Ca 0.06 -0.87 0.04 0.00 -0.39 0.00 0.00 64.86 63.70 3kgd h ILE 210 Cb 0.34 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 3kgd h ILE 210 CO 0.01 0.32 0.53 0.00 -0.69 0.00 0.00 178.15 178.32 3kgd h ALA 211 N 1.29 1.12 -0.22 1.87 0.00 -0.06 -0.46 119.26 122.80 3kgd h ALA 211 Ca 0.18 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3kgd h ALA 211 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kgd h ALA 211 CO 0.00 0.32 -0.43 1.15 0.00 0.00 0.00 179.25 180.30 3kgd h THR 212 N 1.00 1.32 -0.54 0.00 2.02 -0.40 -1.18 112.91 115.14 3kgd h THR 212 Ca 0.34 -1.64 0.09 0.00 0.77 0.00 0.00 66.41 65.97 3kgd h THR 212 Cb 0.07 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 3kgd h THR 212 CO -0.14 0.52 0.14 -0.07 0.37 0.00 0.00 175.52 176.34 3kgd h LEU 213 N 0.37 0.07 -1.80 2.58 3.38 -1.20 -2.34 115.31 116.38 3kgd h LEU 213 Ca 0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kgd h LEU 213 Cb 1.03 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kgd h LEU 213 CO 0.09 0.06 -0.04 0.00 0.09 0.00 0.00 178.44 178.65 3kgd h ALA 214 N 1.40 1.04 0.00 1.53 0.00 -0.71 -0.58 119.26 121.94 3kgd h ALA 214 Ca 0.27 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3kgd h ALA 214 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kgd h ALA 214 CO -0.33 0.05 -0.30 0.78 0.00 0.00 0.00 179.25 179.45 3kgd h GLY 215 N 1.49 0.00 0.00 0.00 0.00 -0.65 -3.29 103.07 100.61 3kgd h GLY 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kgd h GLY 215 CO 0.00 0.00 -1.28 1.44 0.00 0.00 0.00 176.54 176.71 3kgd n SER 216 N -3.47 1.57 -3.85 0.19 7.64 -0.70 -5.02 113.62 109.98 3kgd n SER 216 Ca -0.00 -0.25 -0.12 0.00 1.01 0.00 0.00 58.87 59.51 3kgd n SER 216 Cb 0.47 1.40 -0.11 0.00 -1.01 0.00 0.00 64.21 64.96 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 -2.68 -0.05 -0.40 1.43 0.08 -0.31 -5.10 117.98 110.96 3kgd s PHE 217 Ca -0.02 0.10 -0.29 0.00 0.12 0.00 0.00 56.93 56.85 3kgd s PHE 217 Cb 0.09 -0.00 0.01 0.00 -0.57 0.00 0.00 43.02 42.54 3kgd s PHE 217 CO 0.53 -0.20 1.41 -1.54 -0.10 0.00 0.00 175.22 175.33 3kgd s SER 218 N -0.75 6.37 -0.29 1.36 1.04 -1.26 -4.13 113.70 116.03 3kgd s SER 218 Ca -0.08 0.89 -0.17 0.00 0.48 0.00 0.00 55.95 57.06 3kgd s SER 218 Cb -0.05 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 3kgd s SER 218 CO 0.01 -1.40 0.49 -0.76 0.98 0.00 0.00 173.24 172.56 3kgd s LEU 219 N 5.33 4.13 0.21 2.42 1.43 -1.26 -4.56 118.68 126.39 3kgd s LEU 219 Ca 0.61 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 3kgd s LEU 219 Cb -0.14 -2.60 0.17 0.00 0.03 0.00 0.00 46.19 43.65 3kgd s LEU 219 CO 0.32 -0.33 1.51 0.45 0.23 0.00 0.00 176.35 178.53 3kgd h HIS 220 N 8.18 0.42 -3.96 0.29 3.86 -1.37 -3.45 115.15 119.12 3kgd h HIS 220 Ca -0.29 -0.17 -0.34 0.00 -1.16 0.00 0.00 60.37 58.41 3kgd h HIS 220 Cb 1.14 -0.07 -0.27 0.00 1.06 0.00 0.00 27.41 29.27 3kgd h HIS 220 CO 0.75 0.87 -0.76 -2.00 0.86 0.00 0.00 177.93 177.65 3kgd s GLU 221 N -3.74 0.57 -0.01 2.45 2.12 -1.03 -5.03 118.70 114.02 3kgd s GLU 221 Ca -0.05 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.90 3kgd s GLU 221 Cb 0.11 -0.51 0.01 0.00 0.26 0.00 0.00 34.13 34.00 3kgd s GLU 221 CO 0.82 0.13 -0.01 1.14 -0.54 0.00 0.00 175.26 176.79 3kgd s GLN 222 N -0.52 0.25 -0.09 4.30 -2.07 -1.26 -0.78 119.66 119.49 3kgd s GLN 222 Ca 0.00 -0.01 0.01 0.00 -1.82 0.00 0.00 55.36 53.54 3kgd s GLN 222 Cb -0.04 -0.33 0.02 0.00 -1.09 0.00 0.00 33.01 31.56 3kgd s GLN 222 CO 0.00 -0.03 -0.11 1.21 -1.32 0.00 0.00 175.29 175.03 3kgd s ASN 223 N 0.45 2.00 -0.14 12.60 2.47 0.19 -4.98 114.94 127.52 3kgd s ASN 223 Ca -0.04 -0.32 0.01 0.00 0.42 0.00 0.00 52.86 52.93 3kgd s ASN 223 Cb -0.07 -0.88 0.00 0.00 -1.45 0.00 0.00 41.25 38.86 3kgd s ASN 223 CO -0.01 -0.01 -0.18 -0.63 -3.72 0.00 0.00 177.10 172.54 3kgd s ILE 224 N 1.02 2.39 -0.26 -5.21 1.01 -1.26 -0.99 121.20 117.90 3kgd s ILE 224 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.72 3kgd s ILE 224 Cb -0.15 -1.98 0.05 0.00 0.01 0.00 0.00 42.46 40.39 3kgd s ILE 224 CO -0.01 0.53 -0.10 -2.28 0.00 0.00 0.00 174.94 173.09 3kgd s HIS 225 N 0.76 3.23 -0.60 3.97 2.46 -0.15 -4.99 115.29 119.97 3kgd s HIS 225 Ca -0.07 -2.17 -0.16 0.00 0.47 0.00 0.00 55.06 53.13 3kgd s HIS 225 Cb -0.16 -1.96 0.15 0.00 -0.13 0.00 0.00 32.58 30.48 3kgd s HIS 225 CO 0.00 -0.86 0.56 -0.80 -2.47 0.00 0.00 174.74 171.17 3kgd s ASN 226 N 1.15 6.31 0.80 9.88 0.01 -1.26 -1.09 114.94 130.74 3kgd s ASN 226 Ca -0.07 -1.98 -0.11 0.00 -0.71 0.00 0.00 52.86 49.99 3kgd s ASN 226 Cb -0.19 -2.21 0.08 0.00 0.41 0.00 0.00 41.25 39.34 3kgd s ASN 226 CO -0.05 -0.80 1.15 -1.48 -1.51 0.00 0.00 177.10 174.42 3kgd s LEU 227 N 1.30 2.58 -0.04 0.60 0.05 -0.77 -4.94 118.68 117.46 3kgd s LEU 227 Ca 0.06 0.68 -0.38 0.00 0.05 0.00 0.00 54.13 54.54 3kgd s LEU 227 Cb -0.26 -3.18 -0.16 0.00 -2.05 0.00 0.00 46.19 40.55 3kgd s LEU 227 CO 0.01 -1.89 1.51 -2.65 -0.55 0.00 0.00 176.35 172.77 3kgd n PRO 228 N -3.26 1.24 -0.24 1.48 -0.02 -1.26 -4.58 135.00 128.35 3kgd n PRO 228 Ca 0.08 0.45 0.32 0.00 -2.02 0.00 0.00 63.50 62.34 3kgd n PRO 228 Cb 0.61 -2.12 0.69 0.00 -0.02 0.00 0.00 33.50 32.66 3kgd n PRO 228 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3kgd h ARG 229 N 5.67 0.00 0.00 -0.52 -0.00 -1.94 0.75 114.38 118.35 3kgd h ARG 229 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.51 3kgd h ARG 229 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.29 3kgd h ARG 229 CO 0.85 0.00 0.00 0.38 -0.00 0.00 0.00 179.97 181.20 3kgd h ASP 230 N 0.00 0.00 -0.43 0.08 -0.00 -1.96 -0.19 116.42 113.92 3kgd h ASP 230 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.53 3kgd h ASP 230 Cb 2.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.65 3kgd h ASP 230 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.23 3kgd n GLN 231 N -2.62 2.56 -1.92 4.15 6.02 0.26 -4.93 117.38 120.90 3kgd n GLN 231 Ca 0.00 -1.78 -0.03 0.00 -0.01 0.00 0.00 57.00 55.18 3kgd n GLN 231 Cb 0.20 -1.58 -0.00 0.00 1.02 0.00 0.00 30.24 29.88 3kgd n GLN 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgd n GLY 232 N 0.95 3.40 3.81 1.08 0.00 -0.08 -4.17 105.19 110.17 3kgd n GLY 232 Ca 0.16 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.22 3.94 0.00 1.61 0.02 -1.25 -4.84 135.00 132.26 3kgd s PRO 233 Ca 0.02 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.28 3kgd s PRO 233 Cb -0.00 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3kgd s PRO 233 CO 0.01 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3kgd n GLY 234 N -0.51 0.77 3.60 0.52 0.00 -0.18 -4.62 105.19 104.77 3kgd n GLY 234 Ca 0.08 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3kgd n GLY 234 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kgd s ASN 235 N 0.00 -0.83 0.02 1.61 2.47 -1.26 -1.11 114.94 115.84 3kgd s ASN 235 Ca 0.00 1.43 -0.05 0.00 0.42 0.00 0.00 52.86 54.66 3kgd s ASN 235 Cb 0.00 1.36 -0.01 0.00 -1.45 0.00 0.00 41.25 41.15 3kgd s ASN 235 CO 0.00 -0.24 0.07 0.42 -3.72 0.00 0.00 177.10 173.64 3kgd s THR 236 N 1.11 0.11 -0.04 -5.21 -4.23 -0.55 -1.64 115.64 105.20 3kgd s THR 236 Ca -0.06 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 3kgd s THR 236 Cb -0.05 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.19 3kgd s THR 236 CO -0.11 -0.52 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.63 3kgd s VAL 237 N -1.95 1.17 0.21 2.29 1.01 -0.36 -1.16 120.40 121.61 3kgd s VAL 237 Ca -0.11 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3kgd s VAL 237 Cb -0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 3kgd s VAL 237 CO -0.02 0.35 -0.02 -0.94 0.00 0.00 0.00 175.10 174.47 3kgd s SER 238 N 0.15 1.69 -0.03 3.32 1.04 0.24 -0.71 113.70 119.40 3kgd s SER 238 Ca -0.04 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.20 3kgd s SER 238 Cb -0.11 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.07 3kgd s SER 238 CO 0.02 -0.50 0.04 -0.22 0.98 0.00 0.00 173.24 173.56 3kgd s LEU 239 N -3.26 0.59 -0.21 2.42 2.96 -0.22 -1.50 118.68 119.45 3kgd s LEU 239 Ca 0.26 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.15 3kgd s LEU 239 Cb 0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 3kgd s LEU 239 CO 0.07 -0.19 0.08 -0.70 -1.32 0.00 0.00 176.35 174.29 3kgd s GLU 240 N 1.66 3.88 -0.34 1.98 2.12 0.18 -1.19 118.70 126.98 3kgd s GLU 240 Ca -0.02 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 54.88 3kgd s GLU 240 Cb -0.12 -3.31 0.05 0.00 0.26 0.00 0.00 34.13 31.00 3kgd s GLU 240 CO -0.03 0.08 0.09 0.08 -0.54 0.00 0.00 175.26 174.95 3kgd s VAL 241 N 0.91 3.62 -0.31 3.70 1.01 0.09 -0.93 120.40 128.48 3kgd s VAL 241 Ca 0.04 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 3kgd s VAL 241 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3kgd s VAL 241 CO 0.03 -0.20 0.26 -0.70 0.00 0.00 0.00 175.10 174.49 3kgd s GLU 242 N 1.36 3.71 0.50 2.72 2.12 0.14 -1.42 118.70 127.82 3kgd s GLU 242 Ca -0.02 -0.42 0.04 0.00 0.36 0.00 0.00 54.97 54.93 3kgd s GLU 242 Cb -0.20 -3.74 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 3kgd s GLU 242 CO 0.02 -0.36 0.15 -1.12 -0.54 0.00 0.00 175.26 173.41 3kgd s SER 243 N 1.73 4.31 0.31 -1.70 0.01 0.15 -0.14 113.70 118.38 3kgd s SER 243 Ca 0.08 -1.43 0.02 0.00 1.31 0.00 0.00 55.95 55.94 3kgd s SER 243 Cb -0.17 0.30 0.59 0.00 0.21 0.00 0.00 66.02 66.95 3kgd s SER 243 CO 0.11 -0.87 1.88 -0.33 0.41 0.00 0.00 173.24 174.45 3kgd h GLU 244 N 1.19 0.93 -0.01 12.44 5.08 -0.93 -3.15 114.58 130.13 3kgd h GLU 244 Ca -0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3kgd h GLU 244 Cb 1.30 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3kgd h GLU 244 CO 0.69 0.61 -0.35 0.09 -1.00 0.00 0.00 179.01 179.05 3kgd n ASN 245 N -4.54 1.46 -3.56 1.42 3.02 -0.86 -5.03 115.26 107.16 3kgd n ASN 245 Ca 0.16 -1.23 -0.09 0.00 -0.03 0.00 0.00 54.58 53.39 3kgd n ASN 245 Cb 0.29 0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 39.94 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 -1.85 0.00 -0.14 2.41 2.07 -1.19 -5.05 121.20 117.45 3kgd s ILE 246 Ca 0.12 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 3kgd s ILE 246 Cb 0.12 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 3kgd s ILE 246 CO 0.40 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.46 3kgd s THR 247 N -1.76 3.58 0.24 4.00 2.01 -1.26 -0.67 115.64 121.78 3kgd s THR 247 Ca 0.02 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.64 3kgd s THR 247 Cb -0.01 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3kgd s THR 247 CO -0.02 0.51 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.65 3kgd s GLU 248 N 0.34 1.50 -0.04 4.92 0.41 -0.51 -4.70 118.70 120.61 3kgd s GLU 248 Ca -0.07 -1.69 -0.04 0.00 -0.41 0.00 0.00 54.97 52.76 3kgd s GLU 248 Cb -0.15 -1.38 0.01 0.00 -1.78 0.00 0.00 34.13 30.83 3kgd s GLU 248 CO 0.04 0.22 0.12 1.03 -0.49 0.00 0.00 175.26 176.18 3kgd s ARG 249 N -3.60 0.14 0.08 1.61 0.52 -1.26 -0.73 118.95 115.71 3kgd s ARG 249 Ca 0.26 0.16 0.07 0.00 -0.52 0.00 0.00 55.73 55.70 3kgd s ARG 249 Cb -0.02 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.49 3kgd s ARG 249 CO 0.11 -0.02 -0.20 -0.06 0.02 0.00 0.00 175.30 175.15 3kgd s PHE 250 N 0.04 1.69 0.06 -0.53 0.08 -0.34 -5.00 117.98 113.98 3kgd s PHE 250 Ca -0.00 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3kgd s PHE 250 Cb -0.01 -0.95 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 3kgd s PHE 250 CO 0.00 0.15 0.22 -0.59 -0.10 0.00 0.00 175.22 174.90 3kgd s PHE 251 N -1.07 0.04 0.03 0.36 -0.12 -1.26 -1.05 117.98 114.91 3kgd s PHE 251 Ca 0.05 -0.31 0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3kgd s PHE 251 Cb -0.10 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 3kgd s PHE 251 CO 0.03 -0.49 -0.06 0.14 -0.05 0.00 0.00 175.22 174.79 3kgd s VAL 252 N -2.97 0.41 -0.20 -2.49 -7.23 0.11 -4.96 120.40 103.07 3kgd s VAL 252 Ca -0.02 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.17 3kgd s VAL 252 Cb 0.01 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 3kgd s VAL 252 CO -0.06 -0.34 0.03 -0.69 -0.31 0.00 0.00 175.10 173.73 3kgd s VAL 253 N -1.22 4.30 0.34 1.32 1.01 -1.26 -1.22 120.40 123.67 3kgd s VAL 253 Ca -0.10 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 3kgd s VAL 253 Cb -0.09 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 3kgd s VAL 253 CO 0.00 0.42 1.07 -0.83 0.00 0.00 0.00 175.10 175.76 3kgd s GLY 254 N 0.91 2.90 0.22 4.51 0.00 -0.65 -5.00 107.32 110.21 3kgd s GLY 254 Ca 0.02 0.79 0.10 0.00 0.00 0.00 0.00 44.72 45.64 3kgd s GLY 254 CO 0.02 1.31 -0.18 -0.54 0.00 0.00 0.00 173.10 173.71 3kgd s GLU 255 N -1.97 1.44 0.04 2.90 2.02 -1.26 -4.60 118.70 117.27 3kgd s GLU 255 Ca 0.51 -1.59 -0.07 0.00 0.02 0.00 0.00 54.97 53.84 3kgd s GLU 255 Cb -0.27 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 3kgd s GLU 255 CO 0.34 0.28 0.91 1.63 0.02 0.00 0.00 175.26 178.44 3kgd n LYS 256 N -0.19 -0.10 -1.03 1.61 5.02 -1.26 -0.83 118.16 121.38 3kgd n LYS 256 Ca -0.09 0.90 -0.23 0.00 -2.02 0.00 0.00 58.31 56.88 3kgd n LYS 256 Cb 0.59 -1.35 0.08 0.00 -0.02 0.00 0.00 35.03 34.33 3kgd n LYS 256 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kgd n ARG 257 N -3.43 2.11 -4.72 1.97 1.74 -1.26 -4.81 116.66 108.25 3kgd n ARG 257 Ca 0.00 -2.27 -0.27 0.00 -0.77 0.00 0.00 57.85 54.55 3kgd n ARG 257 Cb 0.06 -1.89 -0.17 0.00 -1.02 0.00 0.00 32.46 29.44 3kgd n ARG 257 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3kgd s VAL 258 N -3.11 1.41 0.70 1.55 -7.23 -0.01 -5.14 120.40 108.57 3kgd s VAL 258 Ca 0.44 -0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 3kgd s VAL 258 Cb 0.35 -1.27 0.02 0.00 0.56 0.00 0.00 36.38 36.05 3kgd s VAL 258 CO 0.02 0.42 1.20 -0.55 -0.31 0.00 0.00 175.10 175.87 3kgd s SER 259 N 0.64 4.48 0.20 4.85 0.15 -1.26 -4.51 113.70 118.24 3kgd s SER 259 Ca -0.14 2.34 -0.08 0.00 0.70 0.00 0.00 55.95 58.76 3kgd s SER 259 Cb -0.16 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.67 3kgd s SER 259 CO 0.04 -2.07 1.71 0.00 1.20 0.00 0.00 173.24 174.13 3kgd h ALA 260 N -0.02 0.93 -0.11 5.45 0.00 -1.95 -1.78 119.26 121.78 3kgd h ALA 260 Ca -0.48 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 3kgd h ALA 260 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3kgd h ALA 260 CO 0.51 0.67 -0.33 0.93 0.00 0.00 0.00 179.25 181.03 3kgd h GLU 261 N 1.07 0.22 0.03 0.00 3.07 -1.92 -2.60 114.58 114.46 3kgd h GLU 261 Ca 0.22 -0.09 -0.25 0.00 -0.50 0.00 0.00 59.36 58.74 3kgd h GLU 261 Cb 0.39 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3kgd h GLU 261 CO 0.00 0.53 -1.28 -0.39 -1.40 0.00 0.00 179.01 176.48 3kgd h VAL 262 N 0.19 1.40 -0.41 3.13 -1.51 -1.92 -2.63 116.25 114.51 3kgd h VAL 262 Ca 0.03 -3.12 0.05 0.00 -1.23 0.00 0.00 66.70 62.42 3kgd h VAL 262 Cb 0.68 2.74 -0.04 0.00 -2.13 0.00 0.00 31.29 32.54 3kgd h VAL 262 CO 0.05 0.83 0.15 0.58 -1.23 0.00 0.00 177.57 177.95 3kgd h VAL 263 N 0.02 0.89 -0.24 7.19 2.07 -1.14 -1.70 116.25 123.33 3kgd h VAL 263 Ca -0.12 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 3kgd h VAL 263 Cb 1.89 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3kgd h VAL 263 CO 0.13 0.06 -0.32 0.00 0.02 0.00 0.00 177.57 177.46 3kgd h ALA 264 N 1.26 0.99 -0.70 1.67 0.00 -1.50 -2.57 119.26 118.40 3kgd h ALA 264 Ca 0.19 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3kgd h ALA 264 Cb 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kgd h ALA 264 CO -0.18 0.60 0.29 0.00 0.00 0.00 0.00 179.25 179.96 3kgd h ALA 265 N 1.21 1.19 -0.73 0.00 0.00 -1.05 -2.03 119.26 117.84 3kgd h ALA 265 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kgd h ALA 265 Cb 0.78 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kgd h ALA 265 CO 0.06 0.59 0.25 1.96 0.00 0.00 0.00 179.25 182.11 3kgd h GLN 266 N 1.01 1.13 -0.60 0.00 4.20 -0.92 -2.26 115.11 117.68 3kgd h GLN 266 Ca 0.24 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3kgd h GLN 266 Cb 0.18 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3kgd h GLN 266 CO -0.02 0.95 0.24 1.25 -0.67 0.00 0.00 178.83 180.58 3kgd h LEU 267 N 1.08 0.82 -0.58 1.46 5.85 -1.31 -2.60 115.31 120.02 3kgd h LEU 267 Ca 0.24 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.88 3kgd h LEU 267 Cb 0.28 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3kgd h LEU 267 CO -0.01 0.76 0.21 0.58 -0.34 0.00 0.00 178.44 179.65 3kgd h VAL 268 N 0.82 0.78 -0.67 1.05 2.07 -1.09 -0.01 116.25 119.21 3kgd h VAL 268 Ca 0.20 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3kgd h VAL 268 Cb 0.20 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3kgd h VAL 268 CO -0.02 0.07 0.35 0.50 0.02 0.00 0.00 177.57 178.49 3kgd h LYS 269 N 0.40 0.94 -0.27 1.57 3.64 -1.30 0.83 116.57 122.37 3kgd h LYS 269 Ca 0.29 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3kgd h LYS 269 Cb 0.35 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3kgd h LYS 269 CO -0.29 0.73 0.13 1.49 -2.27 0.00 0.00 179.45 179.24 3kgd h GLU 270 N 0.92 0.39 -0.47 1.90 4.81 -0.93 -1.80 114.58 119.39 3kgd h GLU 270 Ca 0.23 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3kgd h GLU 270 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3kgd h GLU 270 CO -0.03 0.38 -0.11 0.28 -0.73 0.00 0.00 179.01 178.80 3kgd h VAL 271 N 0.31 1.27 -0.83 0.32 2.07 -0.77 -2.28 116.25 116.35 3kgd h VAL 271 Ca 0.09 -1.23 0.08 0.00 0.82 0.00 0.00 66.70 66.46 3kgd h VAL 271 Cb 0.12 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3kgd h VAL 271 CO -0.01 0.43 0.54 0.11 0.02 0.00 0.00 177.57 178.65 3kgd h LYS 272 N 0.76 0.80 -0.39 1.57 1.57 -0.68 -1.68 116.57 118.52 3kgd h LYS 272 Ca 0.12 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3kgd h LYS 272 Cb 0.66 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3kgd h LYS 272 CO 0.05 0.53 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.24 3kgd h ARG 273 N 0.83 0.77 -0.51 3.15 2.43 -0.99 0.42 114.38 120.48 3kgd h ARG 273 Ca 0.37 -0.31 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3kgd h ARG 273 Cb 0.36 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3kgd h ARG 273 CO -0.14 0.92 0.23 -0.92 -1.51 0.00 0.00 179.97 178.55 3kgd h TYR 274 N 0.57 0.42 0.00 2.20 3.20 -0.99 -2.73 116.97 119.64 3kgd h TYR 274 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3kgd h TYR 274 Cb 0.65 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kgd h TYR 274 CO 0.05 0.18 0.00 -0.07 -1.64 0.00 0.00 178.16 176.69 3kgd h LEU 275 N 0.45 0.00 -0.94 2.82 3.38 -1.04 -2.80 115.31 117.17 3kgd h LEU 275 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3kgd h LEU 275 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kgd h LEU 275 CO -0.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.34 3kgd h ALA 276 N 2.32 1.00 -1.79 1.53 0.00 -0.59 -3.44 119.26 118.30 3kgd h ALA 276 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3kgd h ALA 276 Cb 0.75 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3kgd h ALA 276 CO 0.00 0.00 -0.53 0.45 0.00 0.00 0.00 179.25 179.17 3kgd s SER 277 N -4.47 4.53 0.09 0.00 0.15 -1.06 -5.06 113.70 107.88 3kgd s SER 277 Ca 0.03 -0.90 0.25 0.00 0.70 0.00 0.00 55.95 56.03 3kgd s SER 277 Cb 0.09 -0.61 0.53 0.00 -1.71 0.00 0.00 66.02 64.32 3kgd s SER 277 CO 0.40 -0.37 1.46 0.35 1.20 0.00 0.00 173.24 176.28 3kgd n THR 278 N -1.16 0.27 -2.22 6.45 -2.24 -1.26 -4.96 114.28 109.16 3kgd n THR 278 Ca -0.02 -0.19 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 3kgd n THR 278 Cb 0.62 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.10 3.39 0.03 6.98 0.00 -1.26 -0.57 121.76 127.22 3kgd s ALA 279 Ca 0.09 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 3kgd s ALA 279 Cb 0.15 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.67 3kgd s ALA 279 CO 0.68 -0.53 1.39 0.00 0.00 0.00 0.00 175.76 177.30 3kgd h ALA 280 N 3.26 -0.38 -2.39 0.00 0.00 -1.37 -3.40 119.26 114.98 3kgd h ALA 280 Ca -0.48 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 3kgd h ALA 280 Cb 1.23 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3kgd h ALA 280 CO 0.65 -0.59 0.58 0.08 0.00 0.00 0.00 179.25 179.97 3kgd s VAL 281 N -5.11 4.33 0.81 0.00 1.01 -1.25 -4.90 120.40 115.29 3kgd s VAL 281 Ca -0.15 1.66 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 3kgd s VAL 281 Cb 0.03 -4.07 0.14 0.00 0.00 0.00 0.00 36.38 32.48 3kgd s VAL 281 CO 0.59 0.07 1.13 -0.83 0.00 0.00 0.00 175.10 176.06 3kgd s GLY 282 N 1.21 1.75 0.23 4.51 0.00 -1.26 -4.46 107.32 109.30 3kgd s GLY 282 Ca 0.56 -1.36 -0.07 0.00 0.00 0.00 0.00 44.72 43.85 3kgd s GLY 282 CO 0.25 -0.75 1.81 -2.09 0.00 0.00 0.00 173.10 172.32 3kgd h GLU 283 N -0.97 0.71 0.14 2.90 4.81 -1.96 -1.99 114.58 118.22 3kgd h GLU 283 Ca -0.41 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.49 3kgd h GLU 283 Cb 1.26 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3kgd h GLU 283 CO 0.44 0.47 -1.43 1.88 -0.73 0.00 0.00 179.01 179.63 3kgd h TYR 284 N 0.73 0.54 -0.94 0.92 0.05 -1.96 -3.29 116.97 113.02 3kgd h TYR 284 Ca 0.35 -0.39 0.16 0.00 0.05 0.00 0.00 58.73 58.90 3kgd h TYR 284 Cb 0.29 -0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 3kgd h TYR 284 CO -0.07 1.56 0.60 1.25 -1.05 0.00 0.00 178.16 180.44 3kgd h LEU 285 N -0.20 0.68 -0.65 3.88 5.85 -1.94 -1.91 115.31 121.02 3kgd h LEU 285 Ca -0.30 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3kgd h LEU 285 Cb 1.84 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.73 3kgd h LEU 285 CO 0.10 0.31 0.30 0.00 -0.34 0.00 0.00 178.44 178.81 3kgd h ALA 286 N 1.60 0.87 0.00 1.25 0.00 -1.42 -0.49 119.26 121.07 3kgd h ALA 286 Ca 0.49 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 3kgd h ALA 286 Cb 0.82 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kgd h ALA 286 CO -0.25 -0.10 -0.17 0.38 0.00 0.00 0.00 179.25 179.12 3kgd h ASP 287 N 0.53 0.00 0.67 0.00 -0.00 -1.46 -2.92 116.42 113.25 3kgd h ASP 287 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 3kgd h ASP 287 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 3kgd h ASP 287 CO -0.26 0.17 -0.32 0.00 -0.00 0.00 0.00 179.24 178.82 3kgd n GLN 288 N -3.32 0.01 0.07 4.15 6.02 -0.28 -3.33 117.38 120.71 3kgd n GLN 288 Ca 0.00 -0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3kgd n GLN 288 Cb 0.40 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.28 3kgd n GLN 288 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3kgd h LEU 289 N 0.01 0.00 -0.14 1.08 3.38 -1.12 -3.41 115.31 115.11 3kgd h LEU 289 Ca 0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kgd h LEU 289 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kgd h LEU 289 CO 0.00 0.09 0.08 0.58 0.09 0.00 0.00 178.44 179.28 3kgd h VAL 290 N 0.00 1.10 -0.12 1.22 2.07 -1.59 -1.74 116.25 117.20 3kgd h VAL 290 Ca 0.00 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3kgd h VAL 290 Cb 0.81 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3kgd h VAL 290 CO 0.00 0.10 -0.07 -0.07 0.02 0.00 0.00 177.57 177.54 3kgd h LEU 291 N 0.13 0.26 -0.78 2.57 4.07 -1.80 -1.17 115.31 118.60 3kgd h LEU 291 Ca 0.05 -0.43 -0.05 0.00 0.08 0.00 0.00 57.88 57.53 3kgd h LEU 291 Cb 0.08 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 3kgd h LEU 291 CO -0.01 0.64 0.30 -0.65 -1.08 0.00 0.00 178.44 177.64 3kgd h PRO 292 N -0.11 1.17 -0.47 1.13 0.11 -1.79 -0.11 132.00 131.94 3kgd h PRO 292 Ca 0.02 -0.22 -0.11 0.00 0.11 0.00 0.00 66.00 65.80 3kgd h PRO 292 Cb 0.55 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3kgd h PRO 292 CO 0.02 0.96 -0.16 0.52 -0.21 0.00 0.00 178.00 179.13 3kgd h MET 293 N 1.14 0.90 -0.80 1.05 2.86 -1.31 -0.89 114.93 117.88 3kgd h MET 293 Ca 0.26 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3kgd h MET 293 Cb 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3kgd h MET 293 CO -0.02 1.00 0.52 0.00 1.06 0.00 0.00 176.91 179.47 3kgd h ALA 294 N 1.01 1.04 -0.09 6.32 0.00 -0.74 -1.39 119.26 125.41 3kgd h ALA 294 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3kgd h ALA 294 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kgd h ALA 294 CO 0.05 0.38 -0.45 -0.07 0.00 0.00 0.00 179.25 179.16 3kgd h LEU 295 N 1.05 0.24 -1.59 0.00 3.38 -0.76 -1.23 115.31 116.39 3kgd h LEU 295 Ca 0.31 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3kgd h LEU 295 Cb -0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kgd h LEU 295 CO -0.09 0.66 -0.16 0.00 0.09 0.00 0.00 178.44 178.94 3kgd h ALA 296 N 1.35 1.16 0.00 1.53 0.00 -0.78 -3.47 119.26 119.04 3kgd h ALA 296 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kgd h ALA 296 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kgd h ALA 296 CO 0.07 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.93 3kgd n GLY 297 N -0.33 0.77 3.50 0.00 0.00 -0.46 -4.89 105.19 103.78 3kgd n GLY 297 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.96 -1.79 0.00 4.61 0.00 -1.10 -4.93 121.76 115.59 3kgd s ALA 298 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3kgd s ALA 298 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.59 3kgd s ALA 298 CO 0.00 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3kgd n GLY 299 N -0.27 4.19 3.36 0.00 0.00 -1.26 -4.50 105.19 106.70 3kgd n GLY 299 Ca -0.10 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.82 1.03 0.18 1.61 -1.05 -0.75 -1.53 118.70 115.37 3kgd s GLU 300 Ca 0.00 -0.40 -0.13 0.00 -0.15 0.00 0.00 54.97 54.29 3kgd s GLU 300 Cb 0.00 0.46 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 3kgd s GLU 300 CO 0.00 -0.38 0.40 -0.59 0.95 0.00 0.00 175.26 175.64 3kgd s PHE 301 N -2.88 0.14 0.07 4.83 -0.12 -0.26 -1.24 117.98 118.52 3kgd s PHE 301 Ca -0.03 -0.50 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3kgd s PHE 301 Cb -0.00 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 3kgd s PHE 301 CO -0.05 -0.82 0.07 0.95 -0.05 0.00 0.00 175.22 175.32 3kgd s THR 302 N -3.92 4.50 -0.04 -4.49 -4.23 -1.20 -0.20 115.64 106.06 3kgd s THR 302 Ca 0.13 -0.75 -0.08 0.00 -1.18 0.00 0.00 61.69 59.81 3kgd s THR 302 Cb 0.01 -3.15 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3kgd s THR 302 CO -0.01 0.15 0.20 0.54 -0.54 0.00 0.00 174.62 174.95 3kgd s VAL 303 N -1.35 0.03 0.12 2.29 0.11 0.60 -3.81 120.40 118.39 3kgd s VAL 303 Ca 0.28 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 3kgd s VAL 303 Cb -0.12 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3kgd s VAL 303 CO 0.21 -0.16 1.65 0.00 -3.33 0.00 0.00 175.10 173.47 3kgd h ALA 304 N 5.09 0.45 -2.91 1.54 0.00 -1.85 0.94 119.26 122.52 3kgd h ALA 304 Ca -0.28 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.01 3kgd h ALA 304 Cb 1.19 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 3kgd h ALA 304 CO 0.39 0.07 -0.76 -1.58 0.00 0.00 0.00 179.25 177.37 3kgd s HIS 305 N -5.48 0.21 -0.06 0.00 5.65 -1.26 -4.46 115.29 109.89 3kgd s HIS 305 Ca -0.13 -0.52 -0.30 0.00 0.25 0.00 0.00 55.06 54.37 3kgd s HIS 305 Cb 0.09 -0.76 -0.06 0.00 -1.18 0.00 0.00 32.58 30.68 3kgd s HIS 305 CO 0.74 -0.65 1.77 -2.14 -0.65 0.00 0.00 174.74 173.82 3kgd s PRO 306 N 2.14 4.05 0.73 2.88 0.02 -1.26 -4.87 135.00 138.69 3kgd s PRO 306 Ca 0.05 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.22 3kgd s PRO 306 Cb -0.16 -4.07 0.07 0.00 0.02 0.00 0.00 34.50 30.36 3kgd s PRO 306 CO -0.21 -1.02 1.06 -1.54 -0.33 0.00 0.00 177.00 174.96 3kgd s SER 307 N 4.08 4.71 0.19 2.53 1.04 -1.26 -4.90 113.70 120.09 3kgd s SER 307 Ca 0.79 0.52 -0.11 0.00 0.48 0.00 0.00 55.95 57.63 3kgd s SER 307 Cb -0.35 -1.12 0.18 0.00 0.10 0.00 0.00 66.02 64.84 3kgd s SER 307 CO 0.33 -1.69 1.79 0.00 0.98 0.00 0.00 173.24 174.64 3kgd h HIS 309 N 0.54 0.95 -0.25 0.00 3.86 -1.96 0.07 115.15 118.35 3kgd h HIS 309 Ca 0.26 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3kgd h HIS 309 Cb 0.18 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 3kgd h HIS 309 CO -0.10 0.74 0.17 1.25 0.86 0.00 0.00 177.93 180.84 3kgd h LEU 310 N 0.91 0.29 -0.84 2.43 5.85 -1.76 -0.84 115.31 121.35 3kgd h LEU 310 Ca 0.21 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 3kgd h LEU 310 Cb 0.22 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3kgd h LEU 310 CO -0.01 0.21 0.11 -0.07 -0.34 0.00 0.00 178.44 178.33 3kgd h LEU 311 N 0.34 0.92 -0.27 2.25 4.07 -0.92 -1.32 115.31 120.39 3kgd h LEU 311 Ca 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3kgd h LEU 311 Cb -0.04 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 3kgd h LEU 311 CO -0.02 0.92 0.11 0.74 -1.08 0.00 0.00 178.44 179.11 3kgd h THR 312 N 0.92 1.16 -0.72 0.22 2.02 -0.79 -1.79 112.91 113.93 3kgd h THR 312 Ca 0.19 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3kgd h THR 312 Cb 0.39 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3kgd h THR 312 CO 0.01 0.17 0.27 0.78 0.37 0.00 0.00 175.52 177.11 3kgd h ASN 313 N 0.29 1.00 -0.74 4.18 2.35 -0.83 -0.93 115.58 120.89 3kgd h ASN 313 Ca 0.09 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3kgd h ASN 313 Cb 0.16 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 3kgd h ASN 313 CO -0.01 0.92 0.49 0.40 -1.65 0.00 0.00 177.43 177.58 3kgd h ILE 314 N 1.03 1.18 -0.66 2.81 2.04 -1.14 -0.27 117.51 122.51 3kgd h ILE 314 Ca 0.24 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3kgd h ILE 314 Cb 0.24 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 3kgd h ILE 314 CO -0.02 0.18 0.19 0.00 0.00 0.00 0.00 178.15 178.51 3kgd h ALA 315 N 1.28 0.87 -0.21 1.87 0.00 -0.83 -0.92 119.26 121.32 3kgd h ALA 315 Ca 0.28 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3kgd h ALA 315 Cb -0.11 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.43 3kgd h ALA 315 CO -0.06 0.56 -0.68 0.28 0.00 0.00 0.00 179.25 179.34 3kgd h VAL 316 N 0.97 1.27 -0.72 0.00 2.07 -0.87 -2.83 116.25 116.15 3kgd h VAL 316 Ca 0.21 -1.87 0.06 0.00 0.82 0.00 0.00 66.70 65.92 3kgd h VAL 316 Cb 0.32 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3kgd h VAL 316 CO -0.00 0.60 0.41 0.58 0.02 0.00 0.00 177.57 179.18 3kgd h VAL 317 N 0.60 0.98 0.00 2.57 2.07 -0.80 -1.53 116.25 120.13 3kgd h VAL 317 Ca -0.02 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3kgd h VAL 317 Cb 1.31 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3kgd h VAL 317 CO 0.15 0.14 0.00 -0.33 0.02 0.00 0.00 177.57 177.54 3kgd h GLU 318 N 0.75 0.00 0.00 1.57 5.08 -0.99 0.10 114.58 121.09 3kgd h GLU 318 Ca 0.32 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.47 3kgd h GLU 318 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3kgd h GLU 318 CO -0.19 0.00 -1.05 0.00 -1.00 0.00 0.00 179.01 176.78 3kgd h ARG 319 N 0.00 0.00 0.00 2.33 2.47 -1.05 -3.38 114.38 114.76 3kgd h ARG 319 Ca 0.00 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.55 3kgd h ARG 319 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 3kgd h ARG 319 CO 0.00 0.97 -2.06 1.19 0.56 0.00 0.00 179.97 180.63 3kgd n PHE 320 N -3.33 0.00 -4.30 3.04 3.01 -0.66 -4.96 117.46 110.25 3kgd n PHE 320 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.24 3kgd n PHE 320 Cb 0.95 -0.67 -0.11 0.00 -0.01 0.00 0.00 39.48 39.64 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 -4.83 2.41 0.00 4.37 1.43 0.26 -5.01 118.68 117.30 3kgd s LEU 321 Ca -0.08 -0.82 0.26 0.00 -1.03 0.00 0.00 54.13 52.46 3kgd s LEU 321 Cb 0.09 -0.77 1.30 0.00 0.03 0.00 0.00 46.19 46.84 3kgd s LEU 321 CO 0.77 -0.05 1.88 -0.81 0.23 0.00 0.00 176.35 178.38 3kgd n PRO 322 N 0.48 0.35 -1.61 1.29 -0.04 -1.26 -4.49 135.00 129.72 3kgd n PRO 322 Ca -0.15 0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 62.92 3kgd n PRO 322 Cb 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 3kgd n PRO 322 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kgd n VAL 323 N -1.30 2.03 -4.45 0.52 0.31 -1.26 -5.02 118.33 109.16 3kgd n VAL 323 Ca 0.12 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 63.74 3kgd n VAL 323 Cb 0.21 -1.10 -0.14 0.00 -0.91 0.00 0.00 33.84 31.91 3kgd n VAL 323 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kgd s ARG 324 N -1.65 1.03 -0.02 5.55 1.81 -1.26 -4.59 118.95 119.82 3kgd s ARG 324 Ca 0.58 -0.73 0.01 0.00 -1.72 0.00 0.00 55.73 53.87 3kgd s ARG 324 Cb -0.66 -1.05 -0.04 0.00 -0.45 0.00 0.00 34.95 32.75 3kgd s ARG 324 CO 0.60 0.27 0.00 -0.06 -0.68 0.00 0.00 175.30 175.43 3kgd s PHE 325 N -0.74 3.09 -0.11 -0.53 0.40 -1.26 -0.67 117.98 118.16 3kgd s PHE 325 Ca 0.03 0.10 -0.01 0.00 -0.60 0.00 0.00 56.93 56.45 3kgd s PHE 325 Cb -0.07 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 3kgd s PHE 325 CO 0.01 0.46 -0.05 0.45 0.70 0.00 0.00 175.22 176.79 3kgd s SER 326 N -1.41 4.77 -0.22 1.36 0.15 0.22 -4.90 113.70 113.67 3kgd s SER 326 Ca 0.18 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.80 3kgd s SER 326 Cb -0.11 -1.48 0.05 0.00 -1.71 0.00 0.00 66.02 62.76 3kgd s SER 326 CO 0.09 0.28 -0.12 -0.76 1.20 0.00 0.00 173.24 173.93 3kgd s LEU 327 N -0.30 2.64 -0.14 3.45 1.02 -1.26 -1.25 118.68 122.85 3kgd s LEU 327 Ca 0.05 -1.04 -0.00 0.00 0.02 0.00 0.00 54.13 53.16 3kgd s LEU 327 Cb -0.13 -1.36 0.03 0.00 0.02 0.00 0.00 46.19 44.75 3kgd s LEU 327 CO 0.02 -0.14 -0.08 -0.63 0.02 0.00 0.00 176.35 175.54 3kgd s ILE 328 N 1.29 1.16 -0.09 -0.59 -1.09 -0.70 -4.95 121.20 116.23 3kgd s ILE 328 Ca -0.03 -0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 57.71 3kgd s ILE 328 Cb -0.17 -1.22 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 3kgd s ILE 328 CO -0.08 0.30 0.54 -0.70 -1.23 0.00 0.00 174.94 173.77 3kgd s GLU 329 N 1.64 4.34 -0.11 2.79 2.12 -1.26 -0.52 118.70 127.69 3kgd s GLU 329 Ca 0.03 0.58 -0.00 0.00 0.36 0.00 0.00 54.97 55.94 3kgd s GLU 329 Cb -0.14 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.86 3kgd s GLU 329 CO -0.08 0.19 -0.08 0.99 -0.54 0.00 0.00 175.26 175.73 3kgd s THR 330 N 0.47 1.07 -1.27 -1.70 2.01 0.54 -4.88 115.64 111.88 3kgd s THR 330 Ca 0.29 -0.32 -0.16 0.00 0.31 0.00 0.00 61.69 61.81 3kgd s THR 330 Cb -0.16 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.29 3kgd s THR 330 CO 0.13 0.37 0.58 0.47 -0.69 0.00 0.00 174.62 175.49 3kgd n ASP 331 N 4.86 -2.98 0.00 3.53 10.43 -1.26 -2.02 116.55 129.10 3kgd n ASP 331 Ca -0.13 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.12 3kgd n ASP 331 Cb 0.50 -2.69 0.00 0.00 1.84 0.00 0.00 41.12 40.77 3kgd n ASP 331 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kgd n GLY 332 N -1.96 0.76 3.20 0.44 0.00 -1.26 -4.98 105.19 101.38 3kgd n GLY 332 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.16 1.68 -0.24 1.61 1.01 -0.86 -4.74 120.40 115.71 3kgd s VAL 333 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3kgd s VAL 333 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 3kgd s VAL 333 CO 0.00 0.48 0.15 -0.89 0.00 0.00 0.00 175.10 174.84 3kgd s THR 334 N -0.15 5.29 -0.36 3.92 2.01 0.32 -0.34 115.64 126.34 3kgd s THR 334 Ca -0.01 0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.93 3kgd s THR 334 Cb -0.11 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.94 3kgd s THR 334 CO 0.02 0.35 0.69 -0.60 -0.69 0.00 0.00 174.62 174.39 3kgd s ARG 335 N 1.05 3.72 -0.32 4.92 3.52 0.32 -0.29 118.95 131.87 3kgd s ARG 335 Ca 0.07 0.17 -0.15 0.00 -0.13 0.00 0.00 55.73 55.69 3kgd s ARG 335 Cb -0.14 -3.81 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 3kgd s ARG 335 CO 0.04 -0.77 0.37 0.08 -0.81 0.00 0.00 175.30 174.21 3kgd s VAL 336 N 2.86 5.17 0.04 7.11 1.01 0.72 -1.71 120.40 135.59 3kgd s VAL 336 Ca 0.27 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3kgd s VAL 336 Cb -0.14 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3kgd s VAL 336 CO 0.15 -0.00 -0.04 -0.94 0.00 0.00 0.00 175.10 174.27 3kgd s SER 337 N 1.71 0.45 0.02 3.32 1.04 -0.38 -1.10 113.70 118.76 3kgd s SER 337 Ca 0.13 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 3kgd s SER 337 Cb -0.16 0.12 -0.06 0.00 0.10 0.00 0.00 66.02 66.02 3kgd s SER 337 CO 0.11 -0.39 0.66 -0.63 0.98 0.00 0.00 173.24 173.98 3kgd s ILE 338 N -2.31 4.81 -2.00 -1.02 1.01 -0.58 -0.61 121.20 120.50 3kgd s ILE 338 Ca -0.07 1.39 0.24 0.00 0.00 0.00 0.00 60.65 62.22 3kgd s ILE 338 Cb -0.04 -4.00 0.68 0.00 0.01 0.00 0.00 42.46 39.11 3kgd s ILE 338 CO -0.04 0.41 1.79 -0.62 0.00 0.00 0.00 174.94 176.49