#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgd s MET 5 N 0.00 0.03 -0.08 2.89 -2.45 -1.26 -4.35 119.30 114.08 3kgd s MET 5 Ca 0.00 0.04 -0.27 0.00 -1.25 0.00 0.00 55.69 54.21 3kgd s MET 5 Cb 0.00 -1.49 -0.02 0.00 1.25 0.00 0.00 34.83 34.56 3kgd s MET 5 CO 0.00 -0.59 0.88 0.42 1.05 0.00 0.00 175.02 176.78 3kgd s ILE 6 N 2.15 4.90 -0.21 10.11 1.01 -1.08 -4.93 121.20 133.16 3kgd s ILE 6 Ca 0.03 1.79 -0.06 0.00 0.00 0.00 0.00 60.65 62.41 3kgd s ILE 6 Cb -0.15 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3kgd s ILE 6 CO -0.08 0.12 0.02 0.00 0.00 0.00 0.00 174.94 175.00 3kgd s ALA 7 N 1.42 3.06 0.08 9.38 0.00 -1.26 -1.28 121.76 133.15 3kgd s ALA 7 Ca 0.44 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.42 3kgd s ALA 7 Cb -0.19 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 3kgd s ALA 7 CO 0.20 -0.25 -0.03 -0.51 0.00 0.00 0.00 175.76 175.17 3kgd s LEU 8 N 1.17 3.34 -0.11 0.00 1.43 0.29 -4.97 118.68 119.82 3kgd s LEU 8 Ca 0.03 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 3kgd s LEU 8 Cb -0.14 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3kgd s LEU 8 CO 0.02 0.20 0.37 -0.62 0.23 0.00 0.00 176.35 176.54 3kgd s ASP 9 N -2.12 6.59 0.00 2.29 -1.08 -1.26 -2.48 116.67 118.60 3kgd s ASP 9 Ca 0.23 0.69 0.12 0.00 -0.52 0.00 0.00 52.55 53.08 3kgd s ASP 9 Cb -0.11 -2.22 0.30 0.00 -1.46 0.00 0.00 42.92 39.43 3kgd s ASP 9 CO 0.15 0.13 1.22 0.61 0.52 0.00 0.00 175.17 177.80 3kgd n GLY 10 N 2.96 2.22 0.00 2.66 0.00 0.20 -4.57 105.19 108.66 3kgd n GLY 10 Ca -0.11 -0.41 0.07 0.00 0.00 0.00 0.00 46.02 45.56 3kgd n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgd n ALA 11 N 0.66 3.36 1.62 4.61 0.00 -1.00 -1.74 120.51 128.02 3kgd n ALA 11 Ca 0.12 -0.37 0.15 0.00 0.00 0.00 0.00 53.44 53.34 3kgd n ALA 11 Cb 0.43 -0.49 0.76 0.00 0.00 0.00 0.00 19.45 20.14 3kgd n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kgd n GLN 12 N -1.55 0.78 0.00 0.00 6.02 -1.26 -4.86 117.38 116.51 3kgd n GLN 12 Ca 0.01 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 3kgd n GLN 12 Cb 0.27 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3kgd n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kgd n GLY 13 N 1.18 3.57 2.57 1.08 0.00 -1.26 -5.02 105.19 107.31 3kgd n GLY 13 Ca 0.18 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.26 -1.35 0.22 1.61 -0.58 -1.26 -4.87 120.64 113.15 3kgd n GLU 14 Ca 0.00 1.14 0.10 0.00 -0.42 0.00 0.00 57.16 57.97 3kgd n GLU 14 Cb 0.00 -5.45 0.49 0.00 -0.57 0.00 0.00 31.44 25.91 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 -1.98 0.62 0.00 -1.88 -1.24 103.07 98.59 3kgd h GLY 15 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3kgd h GLY 15 CO 0.55 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.70 3kgd n GLY 16 N -0.01 1.12 0.00 4.60 0.00 -1.26 -4.04 105.19 105.59 3kgd n GLY 16 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.36 1.50 0.27 -0.02 0.00 -0.58 -4.73 105.19 103.00 3kgd n GLY 17 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.48 -0.28 1.61 5.75 -1.91 -0.54 115.11 120.23 3kgd h GLN 18 Ca 0.00 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.28 3kgd h GLN 18 Cb 0.00 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 3kgd h GLN 18 CO 0.00 0.54 -0.25 0.82 -2.65 0.00 0.00 178.83 177.28 3kgd h ILE 19 N 0.46 1.31 -0.25 2.39 2.04 -1.59 -2.13 117.51 119.74 3kgd h ILE 19 Ca 0.10 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 3kgd h ILE 19 Cb 0.35 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3kgd h ILE 19 CO 0.01 0.45 0.13 0.25 0.00 0.00 0.00 178.15 178.99 3kgd h LEU 20 N 0.39 0.31 -0.27 1.44 5.85 -1.44 0.62 115.31 122.21 3kgd h LEU 20 Ca 0.05 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3kgd h LEU 20 Cb 0.81 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3kgd h LEU 20 CO 0.06 0.32 0.14 0.03 -0.34 0.00 0.00 178.44 178.65 3kgd h ARG 21 N 0.29 0.38 -0.35 1.25 3.08 -1.11 -0.31 114.38 117.61 3kgd h ARG 21 Ca 0.09 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3kgd h ARG 21 Cb 0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kgd h ARG 21 CO -0.01 0.36 -0.32 0.77 -1.07 0.00 0.00 179.97 179.70 3kgd h SER 22 N 0.30 0.79 -0.42 7.04 0.02 -1.27 -2.53 113.55 117.49 3kgd h SER 22 Ca 0.09 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3kgd h SER 22 Cb 0.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3kgd h SER 22 CO -0.01 1.04 0.18 0.00 -1.14 0.00 0.00 176.83 176.90 3kgd h ALA 23 N 1.00 0.54 -0.14 3.77 0.00 -0.74 -1.00 119.26 122.69 3kgd h ALA 23 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kgd h ALA 23 Cb 0.85 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3kgd h ALA 23 CO 0.07 0.13 -0.05 -0.07 0.00 0.00 0.00 179.25 179.33 3kgd h LEU 24 N 0.53 -0.18 -0.10 0.00 3.38 -0.99 0.15 115.31 118.11 3kgd h LEU 24 Ca 0.14 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3kgd h LEU 24 Cb 0.16 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kgd h LEU 24 CO -0.01 -0.07 0.02 0.28 0.09 0.00 0.00 178.44 178.74 3kgd h SER 25 N -0.03 -0.00 0.11 -0.43 0.02 -1.27 -1.63 113.55 110.31 3kgd h SER 25 Ca 0.07 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3kgd h SER 25 Cb 0.14 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kgd h SER 25 CO -0.16 0.02 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.21 3kgd h LEU 26 N 0.06 0.26 -0.08 5.07 3.38 -0.98 -1.59 115.31 121.43 3kgd h LEU 26 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3kgd h LEU 26 Cb 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kgd h LEU 26 CO -0.06 0.53 0.00 -1.28 0.09 0.00 0.00 178.44 177.71 3kgd h SER 27 N 0.23 0.13 -0.75 -0.43 0.87 -0.56 -1.30 113.55 111.75 3kgd h SER 27 Ca 0.04 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3kgd h SER 27 Cb 0.60 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 3kgd h SER 27 CO 0.04 0.41 0.47 0.24 -0.53 0.00 0.00 176.83 177.46 3kgd h MET 28 N -0.15 1.01 -0.43 2.24 2.86 -1.08 0.26 114.93 119.64 3kgd h MET 28 Ca 0.02 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3kgd h MET 28 Cb 0.34 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3kgd h MET 28 CO 0.00 0.70 -0.09 0.82 1.06 0.00 0.00 176.91 179.40 3kgd h ILE 29 N 1.03 1.27 0.00 -1.22 2.04 -1.23 -3.30 117.51 116.10 3kgd h ILE 29 Ca 0.27 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3kgd h ILE 29 Cb -0.06 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3kgd h ILE 29 CO -0.05 0.41 -0.92 0.35 0.00 0.00 0.00 178.15 177.93 3kgd n THR 30 N -4.30 0.11 -1.00 -0.27 -2.24 -0.50 -4.96 114.28 101.13 3kgd n THR 30 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3kgd n THR 30 Cb 0.37 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.42 0.34 3.67 3.38 0.00 0.90 -5.01 105.19 109.88 3kgd n GLY 31 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.68 4.25 0.74 1.61 -0.21 -1.15 -4.76 119.66 119.46 3kgd s GLN 32 Ca 0.00 0.72 -0.12 0.00 0.02 0.00 0.00 55.36 55.99 3kgd s GLN 32 Cb 0.00 -3.56 0.04 0.00 1.00 0.00 0.00 33.01 30.49 3kgd s GLN 32 CO 0.00 -0.22 1.09 -2.14 -2.12 0.00 0.00 175.29 171.90 3kgd s PRO 33 N 1.84 2.46 0.14 2.91 0.02 -1.26 -4.53 135.00 136.58 3kgd s PRO 33 Ca 0.31 1.19 -0.08 0.00 0.02 0.00 0.00 61.00 62.45 3kgd s PRO 33 Cb -0.16 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 3kgd s PRO 33 CO 0.11 -1.49 0.24 -0.59 -0.33 0.00 0.00 177.00 174.95 3kgd s PHE 34 N -2.79 0.37 0.07 6.54 -0.71 -0.62 -2.63 117.98 118.21 3kgd s PHE 34 Ca 0.62 -0.75 0.07 0.00 -1.04 0.00 0.00 56.93 55.82 3kgd s PHE 34 Cb -0.17 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 3kgd s PHE 34 CO 0.52 -0.66 -0.18 -0.08 -1.34 0.00 0.00 175.22 173.49 3kgd s THR 35 N -3.95 1.43 -0.05 -4.49 -1.32 -0.40 -0.82 115.64 106.04 3kgd s THR 35 Ca 0.14 -1.28 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 3kgd s THR 35 Cb 0.04 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 3kgd s THR 35 CO -0.03 -0.02 -0.13 -0.51 -2.21 0.00 0.00 174.62 171.72 3kgd s ILE 36 N -1.02 1.18 0.32 5.08 2.07 -0.09 -0.55 121.20 128.18 3kgd s ILE 36 Ca 0.04 -0.55 0.09 0.00 -1.41 0.00 0.00 60.65 58.82 3kgd s ILE 36 Cb -0.09 -1.04 -0.06 0.00 0.13 0.00 0.00 42.46 41.40 3kgd s ILE 36 CO 0.03 0.35 -0.10 0.42 -1.91 0.00 0.00 174.94 173.72 3kgd s THR 37 N 0.32 2.15 -1.46 4.00 -4.23 -1.03 -0.87 115.64 114.51 3kgd s THR 37 Ca -0.08 -2.22 -0.09 0.00 -1.18 0.00 0.00 61.69 58.12 3kgd s THR 37 Cb -0.13 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.21 3kgd s THR 37 CO 0.02 -0.26 0.81 -1.20 -0.54 0.00 0.00 174.62 173.46 3kgd n SER 38 N -0.72 -5.42 -4.64 3.99 7.64 -0.17 0.61 113.62 114.91 3kgd n SER 38 Ca -0.05 -0.48 -0.43 0.00 1.01 0.00 0.00 58.87 58.92 3kgd n SER 38 Cb 0.63 -4.35 -0.03 0.00 -1.01 0.00 0.00 64.21 59.45 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 -3.19 3.32 -1.46 0.44 1.01 -0.31 -2.37 121.20 118.63 3kgd s ILE 39 Ca 0.48 0.37 -0.08 0.00 0.00 0.00 0.00 60.65 61.41 3kgd s ILE 39 Cb -0.23 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3kgd s ILE 39 CO 0.59 -0.10 0.81 0.54 0.00 0.00 0.00 174.94 176.77 3kgd n ARG 40 N 7.77 -5.59 0.27 2.79 1.74 -0.71 -2.07 116.66 120.86 3kgd n ARG 40 Ca 0.21 0.77 0.14 0.00 -0.77 0.00 0.00 57.85 58.20 3kgd n ARG 40 Cb 0.43 -5.66 0.70 0.00 -1.02 0.00 0.00 32.46 26.91 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 1.00 1.10 -0.49 7.54 0.00 -1.76 -2.74 119.26 123.91 3kgd h ALA 41 Ca -0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kgd h ALA 41 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kgd h ALA 41 CO 0.58 0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.37 3kgd n GLY 42 N -0.31 3.30 3.84 0.00 0.00 -1.26 -4.91 105.19 105.85 3kgd n GLY 42 Ca -0.01 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.78 3.25 0.29 1.61 1.81 -1.04 -5.01 118.95 117.08 3kgd s ARG 43 Ca 0.51 -0.37 0.03 0.00 -1.72 0.00 0.00 55.73 54.19 3kgd s ARG 43 Cb 0.39 -2.99 0.65 0.00 -0.45 0.00 0.00 34.95 32.56 3kgd s ARG 43 CO 0.14 0.68 1.78 0.00 -0.68 0.00 0.00 175.30 177.23 3kgd h ALA 44 N 4.19 1.55 -2.89 2.13 0.00 -1.92 -2.60 119.26 119.72 3kgd h ALA 44 Ca -0.50 0.07 -0.72 0.00 0.00 0.00 0.00 54.91 53.76 3kgd h ALA 44 Cb 1.19 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.57 3kgd h ALA 44 CO 0.64 -0.00 -0.35 0.15 0.00 0.00 0.00 179.25 179.69 3kgd s LYS 45 N -5.90 2.57 0.68 0.00 1.02 -1.26 -5.10 119.74 111.75 3kgd s LYS 45 Ca -0.12 -2.08 -0.04 0.00 0.02 0.00 0.00 55.97 53.75 3kgd s LYS 45 Cb 0.24 -3.88 0.07 0.00 -0.52 0.00 0.00 37.83 33.73 3kgd s LYS 45 CO 0.80 -1.18 0.97 -1.25 -0.92 0.00 0.00 175.35 173.77 3kgd s PRO 46 N 0.77 2.12 2.10 -1.68 0.04 -0.98 -4.96 135.00 132.42 3kgd s PRO 46 Ca 0.11 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.64 3kgd s PRO 46 Cb -0.22 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3kgd s PRO 46 CO -0.03 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.21 3kgd n GLY 47 N -2.82 -0.98 3.71 0.56 0.00 -0.88 -4.33 105.19 100.44 3kgd n GLY 47 Ca 0.09 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 4.34 0.55 0.99 1.43 -0.25 -4.75 118.68 120.99 3kgd s LEU 48 Ca 0.00 1.78 0.09 0.00 -1.03 0.00 0.00 54.13 54.96 3kgd s LEU 48 Cb 0.00 -3.57 0.06 0.00 0.03 0.00 0.00 46.19 42.72 3kgd s LEU 48 CO 0.00 -0.39 0.67 -0.76 0.23 0.00 0.00 176.35 176.10 3kgd s LEU 49 N 1.31 3.09 0.32 1.79 1.43 -1.26 -0.31 118.68 125.04 3kgd s LEU 49 Ca 0.54 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3kgd s LEU 49 Cb -0.24 -1.66 0.52 0.00 0.03 0.00 0.00 46.19 44.85 3kgd s LEU 49 CO 0.26 -1.21 1.97 0.08 0.23 0.00 0.00 176.35 177.69 3kgd h ARG 50 N 0.38 0.99 -0.11 1.70 0.11 -1.97 -0.91 114.38 114.57 3kgd h ARG 50 Ca -0.33 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 59.59 3kgd h ARG 50 Cb 1.29 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 3kgd h ARG 50 CO 0.45 0.66 -0.38 -0.56 0.10 0.00 0.00 179.97 180.24 3kgd h GLN 51 N 1.02 0.23 -0.30 0.08 -0.00 -1.87 -1.61 115.11 112.66 3kgd h GLN 51 Ca 0.30 -0.10 -0.10 0.00 -0.00 0.00 0.00 58.65 58.76 3kgd h GLN 51 Cb -0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 3kgd h GLN 51 CO -0.08 0.58 -0.20 0.45 -0.00 0.00 0.00 178.83 179.59 3kgd h HIS 52 N 0.19 0.77 -0.53 0.06 3.86 -1.55 -3.07 115.15 114.89 3kgd h HIS 52 Ca 0.02 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3kgd h HIS 52 Cb 0.77 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 3kgd h HIS 52 CO 0.01 0.91 0.33 -0.07 0.86 0.00 0.00 177.93 179.98 3kgd h LEU 53 N 0.41 0.61 -0.87 2.43 3.38 -0.98 -2.11 115.31 118.19 3kgd h LEU 53 Ca 0.06 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3kgd h LEU 53 Cb 0.74 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3kgd h LEU 53 CO 0.05 0.46 0.57 0.74 0.09 0.00 0.00 178.44 180.35 3kgd h THR 54 N 0.72 1.16 -0.52 0.22 2.02 -1.20 0.78 112.91 116.08 3kgd h THR 54 Ca 0.19 -0.38 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 3kgd h THR 54 Cb -0.06 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.28 3kgd h THR 54 CO -0.04 0.20 -0.12 0.00 0.37 0.00 0.00 175.52 175.93 3kgd h ALA 55 N 1.35 0.81 -0.47 6.16 0.00 -1.38 -0.21 119.26 125.53 3kgd h ALA 55 Ca 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kgd h ALA 55 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kgd h ALA 55 CO -0.11 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.28 3kgd h VAL 56 N 0.87 1.20 -0.45 0.00 2.07 -0.87 -1.36 116.25 117.71 3kgd h VAL 56 Ca 0.13 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 3kgd h VAL 56 Cb 0.67 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3kgd h VAL 56 CO 0.05 0.23 -0.17 0.11 0.02 0.00 0.00 177.57 177.81 3kgd h LYS 57 N 0.61 0.86 -0.37 1.57 1.57 -0.72 -0.49 116.57 119.59 3kgd h LYS 57 Ca 0.16 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3kgd h LYS 57 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3kgd h LYS 57 CO -0.01 0.96 0.14 0.00 -0.57 0.00 0.00 179.45 179.97 3kgd h ALA 58 N 1.05 0.49 -0.37 3.86 0.00 -0.83 -1.94 119.26 121.51 3kgd h ALA 58 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kgd h ALA 58 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3kgd h ALA 58 CO 0.05 0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.63 3kgd h ALA 59 N 0.99 0.47 -0.82 0.00 0.00 -1.10 -2.35 119.26 116.45 3kgd h ALA 59 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3kgd h ALA 59 Cb 0.20 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3kgd h ALA 59 CO -0.01 -0.05 0.46 1.15 0.00 0.00 0.00 179.25 180.80 3kgd h THR 60 N 0.49 0.88 -0.72 0.00 2.02 -0.96 -2.46 112.91 112.15 3kgd h THR 60 Ca 0.13 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.99 3kgd h THR 60 Cb -0.02 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.42 3kgd h THR 60 CO -0.03 0.14 0.19 -0.08 0.37 0.00 0.00 175.52 176.11 3kgd h GLU 61 N 0.75 1.15 0.00 6.66 4.81 -0.85 0.14 114.58 127.24 3kgd h GLU 61 Ca 0.40 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3kgd h GLU 61 Cb 0.41 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3kgd h GLU 61 CO -0.27 1.00 0.00 0.82 -0.73 0.00 0.00 179.01 179.84 3kgd h ILE 62 N 1.09 0.00 0.00 2.32 2.04 -1.00 -3.33 117.51 118.63 3kgd h ILE 62 Ca 0.23 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3kgd h ILE 62 Cb 0.36 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3kgd h ILE 62 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.06 3kgd n GLY 64 N -0.22 -0.47 3.79 0.00 0.00 0.45 -0.74 105.19 108.00 3kgd n GLY 64 Ca 0.01 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 2.65 -0.19 4.61 0.00 -1.00 -3.95 121.76 120.52 3kgd s ALA 65 Ca 0.45 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.74 3kgd s ALA 65 Cb -0.21 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 3kgd s ALA 65 CO 0.77 -0.98 0.15 0.99 0.00 0.00 0.00 175.76 176.69 3kgd s THR 66 N -2.43 5.41 0.06 0.00 2.01 -0.34 -4.94 115.64 115.40 3kgd s THR 66 Ca 0.65 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.91 3kgd s THR 66 Cb -0.17 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3kgd s THR 66 CO 0.39 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.96 3kgd s VAL 67 N 0.24 0.93 0.01 3.82 1.01 -1.26 -0.77 120.40 124.39 3kgd s VAL 67 Ca 0.09 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 60.93 3kgd s VAL 67 Cb -0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3kgd s VAL 67 CO -0.01 -0.25 -0.16 -1.61 0.00 0.00 0.00 175.10 173.08 3kgd s GLU 68 N -1.62 1.15 0.00 2.72 2.02 -0.39 -4.85 118.70 117.73 3kgd s GLU 68 Ca -0.04 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3kgd s GLU 68 Cb -0.10 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 32.98 3kgd s GLU 68 CO 0.02 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.01 3kgd n GLY 69 N 2.31 0.49 2.78 -1.39 0.00 -1.26 -1.28 105.19 106.85 3kgd n GLY 69 Ca -0.16 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 0.86 5.63 -2.83 4.61 0.00 -1.26 -4.65 120.51 122.86 3kgd n ALA 70 Ca 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 53.44 49.13 3kgd n ALA 70 Cb 0.00 -3.06 -0.11 0.00 0.00 0.00 0.00 19.45 16.28 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 0.72 0.48 0.30 0.00 8.01 -1.26 -5.07 118.70 121.88 3kgd s GLU 71 Ca 0.43 -0.76 -0.30 0.00 0.01 0.00 0.00 54.97 54.36 3kgd s GLU 71 Cb 0.12 -0.14 -0.12 0.00 -4.31 0.00 0.00 34.13 29.67 3kgd s GLU 71 CO -0.02 0.01 1.47 1.28 0.01 0.00 0.00 175.26 178.01 3kgd n LEU 72 N 1.37 3.91 0.00 1.80 4.77 -1.26 -1.31 117.00 126.28 3kgd n LEU 72 Ca -0.22 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 3kgd n LEU 72 Cb 0.55 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3kgd n LEU 72 CO 0.21 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3kgd n GLY 73 N 1.66 2.11 3.76 -0.72 0.00 0.57 -4.90 105.19 107.67 3kgd n GLY 73 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.55 6.61 0.00 1.61 0.15 -0.43 -4.33 113.70 113.77 3kgd s SER 74 Ca 0.00 2.77 0.18 0.00 0.70 0.00 0.00 55.95 59.60 3kgd s SER 74 Cb 0.00 -2.64 0.39 0.00 -1.71 0.00 0.00 66.02 62.05 3kgd s SER 74 CO 0.00 -0.70 1.31 0.00 1.20 0.00 0.00 173.24 175.05 3kgd n GLN 75 N 1.47 2.39 -4.15 5.44 6.02 -1.26 -1.09 117.38 126.20 3kgd n GLN 75 Ca 0.04 -2.14 -0.18 0.00 -0.01 0.00 0.00 57.00 54.70 3kgd n GLN 75 Cb 0.40 -1.41 -0.16 0.00 1.02 0.00 0.00 30.24 30.10 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 -1.16 0.65 -0.03 -1.09 3.52 -1.26 -0.99 118.95 118.58 3kgd s ARG 76 Ca 0.33 -0.11 0.04 0.00 -0.13 0.00 0.00 55.73 55.85 3kgd s ARG 76 Cb 0.18 -0.67 -0.00 0.00 -1.56 0.00 0.00 34.95 32.90 3kgd s ARG 76 CO 0.25 -0.02 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.40 3kgd s LEU 77 N 0.59 1.90 -0.10 -0.88 2.96 -0.05 -4.31 118.68 118.79 3kgd s LEU 77 Ca -0.07 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3kgd s LEU 77 Cb -0.11 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.78 3kgd s LEU 77 CO -0.00 0.14 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.73 3kgd s LEU 78 N -0.00 2.02 -0.12 -0.68 0.20 -0.40 -0.92 118.68 118.77 3kgd s LEU 78 Ca -0.01 -0.52 0.00 0.00 0.69 0.00 0.00 54.13 54.29 3kgd s LEU 78 Cb -0.09 -1.32 0.02 0.00 -0.43 0.00 0.00 46.19 44.37 3kgd s LEU 78 CO 0.01 0.13 -0.12 0.12 -0.29 0.00 0.00 176.35 176.21 3kgd s PHE 79 N 0.45 1.81 -0.33 5.38 5.36 -0.00 -1.26 117.98 129.39 3kgd s PHE 79 Ca -0.17 -0.93 0.04 0.00 -0.96 0.00 0.00 56.93 54.90 3kgd s PHE 79 Cb -0.17 -1.38 0.09 0.00 -0.34 0.00 0.00 43.02 41.22 3kgd s PHE 79 CO 0.07 -0.55 0.03 0.50 -1.46 0.00 0.00 175.22 173.81 3kgd s ARG 80 N 1.43 1.62 0.55 10.12 3.52 0.05 -1.59 118.95 134.65 3kgd s ARG 80 Ca 0.02 -1.80 -0.16 0.00 -0.13 0.00 0.00 55.73 53.65 3kgd s ARG 80 Cb -0.13 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 3kgd s ARG 80 CO -0.07 -0.89 1.02 -1.25 -0.81 0.00 0.00 175.30 173.30 3kgd s PRO 81 N 0.94 3.64 0.00 5.12 0.04 -1.26 -1.20 135.00 142.28 3kgd s PRO 81 Ca 0.08 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3kgd s PRO 81 Cb -0.19 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3kgd s PRO 81 CO -0.07 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.84 3kgd n GLY 82 N -1.22 2.93 3.72 0.56 0.00 0.08 -4.89 105.19 106.36 3kgd n GLY 82 Ca 0.08 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 2.12 4.53 0.21 2.61 2.01 -1.16 -4.81 115.64 121.15 3kgd s THR 83 Ca 0.00 1.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 3kgd s THR 83 Cb 0.00 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.21 3kgd s THR 83 CO 0.00 0.19 1.41 -0.69 -0.69 0.00 0.00 174.62 174.84 3kgd s VAL 84 N 0.74 2.89 0.01 3.82 1.01 -1.26 -4.39 120.40 123.22 3kgd s VAL 84 Ca 0.52 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.27 3kgd s VAL 84 Cb -0.24 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3kgd s VAL 84 CO 0.29 0.10 -0.16 0.00 0.00 0.00 0.00 175.10 175.33 3kgd s ARG 85 N 0.07 1.16 1.01 2.72 3.03 -0.34 -4.30 118.95 122.30 3kgd s ARG 85 Ca 0.61 -0.68 -0.14 0.00 2.03 0.00 0.00 55.73 57.54 3kgd s ARG 85 Cb -0.40 -1.17 0.19 0.00 -1.03 0.00 0.00 34.95 32.55 3kgd s ARG 85 CO 0.39 0.31 1.12 0.20 -1.13 0.00 0.00 175.30 176.18 3kgd s GLY 86 N -0.76 1.58 0.00 3.88 0.00 -1.26 -4.87 107.32 105.89 3kgd s GLY 86 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3kgd s GLY 86 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.80 3kgd n GLY 87 N -1.55 -1.36 3.30 0.20 0.00 -1.22 -4.96 105.19 99.60 3kgd n GLY 87 Ca 0.07 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.33 5.21 0.00 1.61 -0.00 -1.26 -1.32 116.67 118.58 3kgd s ASP 88 Ca 0.00 -0.96 0.07 0.00 -0.00 0.00 0.00 52.55 51.66 3kgd s ASP 88 Cb 0.00 -1.87 -0.03 0.00 -0.00 0.00 0.00 42.92 41.03 3kgd s ASP 88 CO 0.00 -0.27 -0.21 -0.31 -0.00 0.00 0.00 175.17 174.39 3kgd s TYR 89 N 1.44 2.49 -0.09 4.23 2.02 0.07 -4.98 117.35 122.52 3kgd s TYR 89 Ca 0.00 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3kgd s TYR 89 Cb -0.18 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3kgd s TYR 89 CO 0.02 0.14 -0.10 1.03 -1.57 0.00 0.00 175.55 175.07 3kgd s ARG 90 N -1.02 1.61 0.18 -0.62 0.52 -1.26 -1.17 118.95 117.18 3kgd s ARG 90 Ca 0.12 -0.33 0.09 0.00 -0.52 0.00 0.00 55.73 55.09 3kgd s ARG 90 Cb -0.10 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.83 3kgd s ARG 90 CO 0.02 -0.12 -0.18 -0.06 0.02 0.00 0.00 175.30 174.97 3kgd s PHE 91 N 1.19 1.85 -0.12 -0.53 0.08 -0.10 -5.00 117.98 115.36 3kgd s PHE 91 Ca -0.05 -0.47 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 3kgd s PHE 91 Cb -0.14 -0.91 0.04 0.00 -0.57 0.00 0.00 43.02 41.44 3kgd s PHE 91 CO -0.03 0.36 0.03 0.00 -0.10 0.00 0.00 175.22 175.48 3kgd s ALA 92 N -2.17 0.72 -0.02 5.36 0.00 -1.26 -1.12 121.76 123.27 3kgd s ALA 92 Ca 0.17 -0.29 0.14 0.00 0.00 0.00 0.00 51.96 51.99 3kgd s ALA 92 Cb -0.05 -0.89 -0.22 0.00 0.00 0.00 0.00 23.12 21.96 3kgd s ALA 92 CO 0.07 -0.75 0.31 1.51 0.00 0.00 0.00 175.76 176.90 3kgd n ILE 93 N 5.15 0.02 -3.90 0.00 3.06 -0.03 -4.96 119.36 118.69 3kgd n ILE 93 Ca -0.07 -0.33 0.01 0.00 -2.50 0.00 0.00 62.75 59.86 3kgd n ILE 93 Cb 0.49 0.16 -0.00 0.00 0.54 0.00 0.00 39.64 40.83 3kgd n ILE 93 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3kgd n GLY 94 N 1.70 -1.64 0.32 4.50 0.00 -1.17 -3.85 105.19 105.05 3kgd n GLY 94 Ca -0.03 -1.25 0.21 0.00 0.00 0.00 0.00 46.02 44.95 3kgd n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kgd h SER 95 N -0.09 0.00 0.58 1.61 4.64 -1.87 -2.74 113.55 115.68 3kgd h SER 95 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3kgd h SER 95 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3kgd h SER 95 CO 0.00 0.01 -0.11 0.00 -0.87 0.00 0.00 176.83 175.86 3kgd h ALA 96 N 1.99 1.14 -3.54 5.18 0.00 -1.87 -3.44 119.26 118.71 3kgd h ALA 96 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3kgd h ALA 96 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kgd h ALA 96 CO 0.00 0.14 -0.12 0.41 0.00 0.00 0.00 179.25 179.68 3kgd n GLY 97 N -0.39 3.77 3.30 0.00 0.00 -1.04 -4.75 105.19 106.08 3kgd n GLY 97 Ca -0.01 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 3kgd n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kgd s SER 98 N -1.60 3.85 0.24 1.61 0.15 -1.26 -2.49 113.70 114.21 3kgd s SER 98 Ca 0.09 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 3kgd s SER 98 Cb 0.00 -1.60 0.45 0.00 -1.71 0.00 0.00 66.02 63.17 3kgd s SER 98 CO 0.06 0.10 1.75 0.00 1.20 0.00 0.00 173.24 176.35 3kgd h THR 100 N 0.51 0.02 0.00 0.00 1.35 -1.85 -2.09 112.91 110.85 3kgd h THR 100 Ca 0.41 -0.72 -0.17 0.00 -0.55 0.00 0.00 66.41 65.38 3kgd h THR 100 Cb 0.58 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 3kgd h THR 100 CO -0.37 0.01 -0.82 -0.07 -0.25 0.00 0.00 175.52 174.03 3kgd h LEU 101 N 0.00 0.00 -0.43 3.87 3.38 -1.75 0.54 115.31 120.93 3kgd h LEU 101 Ca -0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3kgd h LEU 101 Cb 0.70 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3kgd h LEU 101 CO 0.00 0.82 0.06 0.58 0.09 0.00 0.00 178.44 179.99 3kgd h VAL 102 N 0.00 1.25 -0.75 1.22 2.07 -1.22 -2.53 116.25 116.29 3kgd h VAL 102 Ca -0.01 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3kgd h VAL 102 Cb 1.44 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 3kgd h VAL 102 CO 0.11 0.32 0.42 -0.07 0.02 0.00 0.00 177.57 178.37 3kgd h LEU 103 N 0.58 0.92 -1.90 2.57 3.38 -1.29 -1.82 115.31 117.75 3kgd h LEU 103 Ca 0.13 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kgd h LEU 103 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kgd h LEU 103 CO 0.01 0.74 0.13 -0.61 0.09 0.00 0.00 178.44 178.80 3kgd h GLN 104 N 1.03 0.12 -0.06 1.13 4.15 -0.76 -0.42 115.11 120.30 3kgd h GLN 104 Ca 0.26 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.61 3kgd h GLN 104 Cb 0.01 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3kgd h GLN 104 CO -0.05 0.08 -0.22 1.15 -1.93 0.00 0.00 178.83 177.87 3kgd h THR 105 N 0.13 1.44 0.00 2.39 2.02 -0.91 -3.39 112.91 114.59 3kgd h THR 105 Ca 0.08 -1.64 -0.23 0.00 0.77 0.00 0.00 66.41 65.40 3kgd h THR 105 Cb 0.18 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 3kgd h THR 105 CO -0.01 0.46 -1.84 1.33 0.37 0.00 0.00 175.52 175.83 3kgd n VAL 106 N -4.53 1.17 -0.25 3.16 0.24 -0.89 -4.08 118.33 113.15 3kgd n VAL 106 Ca -0.08 -0.74 -0.06 0.00 -2.04 0.00 0.00 64.34 61.42 3kgd n VAL 106 Cb 0.44 -0.61 0.08 0.00 -1.47 0.00 0.00 33.84 32.29 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 1.05 -1.63 1.34 3.38 -1.28 -2.35 115.31 115.82 3kgd h LEU 107 Ca -0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3kgd h LEU 107 Cb 1.78 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3kgd h LEU 107 CO 0.04 0.96 0.14 -0.65 0.09 0.00 0.00 178.44 179.02 3kgd h PRO 108 N 1.08 0.38 -0.28 1.13 0.11 -1.78 -0.63 132.00 132.01 3kgd h PRO 108 Ca 0.24 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.17 3kgd h PRO 108 Cb 0.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3kgd h PRO 108 CO -0.01 0.30 -0.42 0.00 -0.21 0.00 0.00 178.00 177.66 3kgd h ALA 109 N 1.77 0.73 0.00 -0.75 0.00 -1.68 -2.95 119.26 116.37 3kgd h ALA 109 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3kgd h ALA 109 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kgd h ALA 109 CO -0.01 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.83 3kgd h LEU 110 N 0.56 0.00 -2.57 0.00 3.38 -0.74 -0.96 115.31 114.98 3kgd h LEU 110 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kgd h LEU 110 Cb 0.96 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3kgd h LEU 110 CO 0.09 0.00 -0.00 -0.50 0.09 0.00 0.00 178.44 178.12 3kgd h TRP 111 N 0.00 0.00 -0.23 1.13 6.55 -1.15 -2.23 115.95 120.02 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 0.42 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.72 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 -3.11 0.41 -1.39 0.49 3.01 -0.37 -1.02 117.46 115.48 3kgd n PHE 112 Ca -0.02 -0.60 -0.29 0.00 1.01 0.00 0.00 57.45 57.55 3kgd n PHE 112 Cb 0.13 -0.09 0.13 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.43 1.69 0.31 4.37 0.00 -0.84 -4.94 121.76 120.92 3kgd s ALA 113 Ca 0.22 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.92 3kgd s ALA 113 Cb 0.14 -3.11 0.51 0.00 0.00 0.00 0.00 23.12 20.67 3kgd s ALA 113 CO 0.10 -2.25 1.80 -0.44 0.00 0.00 0.00 175.76 174.97 3kgd h ASP 114 N -1.47 0.48 -3.84 0.00 3.32 -1.89 -3.44 116.42 109.57 3kgd h ASP 114 Ca -0.50 -0.12 -0.28 0.00 0.02 0.00 0.00 57.03 56.14 3kgd h ASP 114 Cb 1.30 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 3kgd h ASP 114 CO 0.59 0.64 -0.20 0.61 -1.72 0.00 0.00 179.24 179.15 3kgd n GLY 115 N -0.64 2.53 3.76 2.75 0.00 -1.26 -4.96 105.19 107.37 3kgd n GLY 115 Ca 0.01 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.81 2.03 0.05 1.61 0.05 -1.26 -4.47 135.00 130.20 3kgd s PRO 116 Ca 0.27 0.98 -0.03 0.00 0.05 0.00 0.00 61.00 62.28 3kgd s PRO 116 Cb -0.00 -1.88 -0.03 0.00 0.05 0.00 0.00 34.50 32.64 3kgd s PRO 116 CO 0.19 -1.75 0.02 -1.12 0.05 0.00 0.00 177.00 174.39 3kgd s SER 117 N -3.51 0.38 -0.05 6.66 0.01 -0.50 -3.44 113.70 113.25 3kgd s SER 117 Ca 0.61 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 57.06 3kgd s SER 117 Cb -0.17 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.28 3kgd s SER 117 CO 0.56 -0.58 -0.16 -0.60 0.41 0.00 0.00 173.24 172.87 3kgd s ARG 118 N -3.52 1.76 -0.10 12.44 3.52 -0.43 -1.05 118.95 131.56 3kgd s ARG 118 Ca 0.03 -0.55 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 3kgd s ARG 118 Cb 0.05 -1.50 0.01 0.00 -1.56 0.00 0.00 34.95 31.96 3kgd s ARG 118 CO -0.09 0.18 -0.15 0.08 -0.81 0.00 0.00 175.30 174.51 3kgd s VAL 119 N 0.22 1.45 -0.10 7.11 1.01 -0.11 -0.75 120.40 129.22 3kgd s VAL 119 Ca -0.07 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3kgd s VAL 119 Cb -0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3kgd s VAL 119 CO 0.03 0.43 -0.18 -0.70 0.00 0.00 0.00 175.10 174.68 3kgd s GLU 120 N 0.99 3.07 -0.03 2.72 2.12 -0.32 -0.71 118.70 126.55 3kgd s GLU 120 Ca -0.07 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 54.53 3kgd s GLU 120 Cb -0.15 -2.44 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 3kgd s GLU 120 CO -0.01 0.28 -0.15 0.08 -0.54 0.00 0.00 175.26 174.91 3kgd s VAL 121 N 0.14 1.25 0.09 3.70 1.01 -0.07 -0.93 120.40 125.59 3kgd s VAL 121 Ca -0.09 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.30 3kgd s VAL 121 Cb -0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3kgd s VAL 121 CO 0.06 0.36 -0.03 -0.94 0.00 0.00 0.00 175.10 174.55 3kgd s SER 122 N -0.06 4.86 0.00 3.32 1.04 -0.27 -1.28 113.70 121.31 3kgd s SER 122 Ca -0.01 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3kgd s SER 122 Cb -0.09 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.92 3kgd s SER 122 CO 0.01 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3kgd n GLY 123 N 0.66 0.43 3.77 7.32 0.00 0.09 -0.85 105.19 116.60 3kgd n GLY 123 Ca -0.12 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 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 2.96 0.00 -0.02 0.00 -1.04 -0.92 107.32 108.30 3kgd s GLY 124 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3kgd s GLY 124 CO 0.00 1.19 0.00 -1.30 0.00 0.00 0.00 173.10 172.99 3kgd n THR 125 N 0.91 0.00 -3.19 0.90 -2.24 0.02 -1.25 114.28 109.43 3kgd n THR 125 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 3kgd n THR 125 Cb 0.48 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.49 2.95 -4.85 3.42 9.92 -1.21 -4.55 116.55 120.74 3kgd n ASP 126 Ca 0.00 -3.33 -0.36 0.00 -0.53 0.00 0.00 54.79 50.56 3kgd n ASP 126 Cb 0.07 -0.62 -0.06 0.00 -0.64 0.00 0.00 41.12 39.87 3kgd n ASP 126 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kgd s ASN 127 N -2.59 6.22 0.54 -2.24 3.84 -1.26 -3.38 114.94 116.08 3kgd s ASN 127 Ca 0.42 0.41 0.22 0.00 0.21 0.00 0.00 52.86 54.13 3kgd s ASN 127 Cb 0.23 -1.98 1.44 0.00 -0.55 0.00 0.00 41.25 40.39 3kgd s ASN 127 CO -0.08 0.40 2.12 -0.65 -2.79 0.00 0.00 177.10 176.10 3kgd h PRO 128 N 4.92 0.00 -1.18 0.43 0.11 -1.97 -3.19 132.00 131.12 3kgd h PRO 128 Ca -0.54 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.00 3kgd h PRO 128 Cb 1.22 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.91 3kgd h PRO 128 CO 0.58 0.00 -0.75 0.43 -0.21 0.00 0.00 178.00 178.06 3kgd n SER 129 N -4.29 4.85 -3.77 -2.05 7.64 -1.26 -4.99 113.62 109.75 3kgd n SER 129 Ca 0.01 -3.73 -0.11 0.00 1.01 0.00 0.00 58.87 56.04 3kgd n SER 129 Cb 0.24 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.57 -0.61 0.08 -0.43 0.00 -1.21 -5.09 121.76 110.93 3kgd s ALA 130 Ca 0.49 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 3kgd s ALA 130 Cb 0.41 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.80 3kgd s ALA 130 CO -0.09 -0.42 1.15 -1.25 0.00 0.00 0.00 175.76 175.15 3kgd s PRO 131 N -2.67 4.48 0.62 0.00 0.04 -1.26 -4.81 135.00 131.41 3kgd s PRO 131 Ca -0.04 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 3kgd s PRO 131 Cb -0.00 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 3kgd s PRO 131 CO -0.04 -0.16 1.20 -2.14 0.04 0.00 0.00 177.00 175.90 3kgd s PRO 132 N 0.76 2.81 0.37 0.56 0.02 -1.26 -4.73 135.00 133.53 3kgd s PRO 132 Ca 0.56 1.78 0.09 0.00 0.02 0.00 0.00 61.00 63.46 3kgd s PRO 132 Cb -0.28 -1.91 0.84 0.00 0.02 0.00 0.00 34.50 33.16 3kgd s PRO 132 CO 0.30 -1.32 1.90 0.00 -0.33 0.00 0.00 177.00 177.55 3kgd h ALA 133 N 0.61 1.85 -0.21 -1.55 0.00 -1.95 -1.23 119.26 116.77 3kgd h ALA 133 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3kgd h ALA 133 Cb 1.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3kgd h ALA 133 CO 0.54 -0.04 -0.19 -0.44 0.00 0.00 0.00 179.25 179.12 3kgd h ASP 134 N 0.66 0.36 -0.40 0.00 3.32 -1.95 -0.56 116.42 117.86 3kgd h ASP 134 Ca 0.40 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 3kgd h ASP 134 Cb 0.61 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3kgd h ASP 134 CO -0.16 0.57 -0.02 0.15 -1.72 0.00 0.00 179.24 178.06 3kgd h PHE 135 N 0.34 0.79 -0.15 4.55 3.04 -1.61 0.10 116.94 124.01 3kgd h PHE 135 Ca 0.06 -0.14 0.01 0.00 3.98 0.00 0.00 57.97 61.87 3kgd h PHE 135 Cb 0.53 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 3kgd h PHE 135 CO 0.01 0.81 0.08 0.82 -2.02 0.00 0.00 178.31 178.01 3kgd h ILE 136 N 0.54 1.01 -0.39 1.41 2.04 -0.95 -0.52 117.51 120.65 3kgd h ILE 136 Ca 0.11 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3kgd h ILE 136 Cb 0.51 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3kgd h ILE 136 CO 0.02 0.03 -0.06 -0.09 0.00 0.00 0.00 178.15 178.05 3kgd h ARG 137 N 0.17 0.73 0.00 2.37 2.43 -1.04 0.16 114.38 119.19 3kgd h ARG 137 Ca 0.06 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3kgd h ARG 137 Cb 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3kgd h ARG 137 CO -0.03 0.85 -1.45 0.54 -1.51 0.00 0.00 179.97 178.38 3kgd n ARG 138 N -4.39 0.71 -0.00 0.20 1.74 0.35 -4.29 116.66 110.97 3kgd n ARG 138 Ca -0.01 -0.10 -0.04 0.00 -0.77 0.00 0.00 57.85 56.93 3kgd n ARG 138 Cb 0.33 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.85 1.07 -0.03 1.55 0.31 -0.28 -4.76 118.33 114.34 3kgd n VAL 139 Ca -0.01 0.21 -0.15 0.00 -0.01 0.00 0.00 64.34 64.39 3kgd n VAL 139 Cb 0.41 -1.75 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 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 -0.28 0.29 -1.38 7.52 5.85 -1.26 -3.34 115.31 122.71 3kgd h LEU 140 Ca -0.05 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 57.97 3kgd h LEU 140 Cb 0.52 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3kgd h LEU 140 CO -0.03 0.94 0.33 -0.33 -0.34 0.00 0.00 178.44 179.01 3kgd h GLU 141 N -0.33 0.75 -0.31 1.25 5.08 -0.87 -0.22 114.58 119.93 3kgd h GLU 141 Ca -0.02 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3kgd h GLU 141 Cb 0.95 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3kgd h GLU 141 CO 0.05 0.53 -0.03 -1.35 -1.00 0.00 0.00 179.01 177.21 3kgd h PRO 142 N 0.77 0.49 -0.06 2.33 0.11 -1.77 -0.38 132.00 133.48 3kgd h PRO 142 Ca 0.20 -0.11 -0.23 0.00 0.11 0.00 0.00 66.00 65.98 3kgd h PRO 142 Cb -0.03 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 31.03 3kgd h PRO 142 CO -0.04 0.53 -0.85 -0.07 -0.21 0.00 0.00 178.00 177.37 3kgd h LEU 143 N 0.46 0.85 -0.77 2.35 3.38 -1.46 -2.70 115.31 117.43 3kgd h LEU 143 Ca 0.10 -0.70 0.09 0.00 0.09 0.00 0.00 57.88 57.46 3kgd h LEU 143 Cb 0.35 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3kgd h LEU 143 CO 0.01 1.42 0.43 -0.07 0.09 0.00 0.00 178.44 180.32 3kgd h LEU 144 N 0.35 0.60 -1.08 1.67 3.38 -0.75 -1.70 115.31 117.79 3kgd h LEU 144 Ca -0.09 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3kgd h LEU 144 Cb 1.50 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.13 3kgd h LEU 144 CO 0.17 0.35 0.62 0.00 0.09 0.00 0.00 178.44 179.67 3kgd h ALA 145 N 1.43 1.40 -0.05 1.53 0.00 -0.67 0.11 119.26 123.02 3kgd h ALA 145 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3kgd h ALA 145 Cb 0.33 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kgd h ALA 145 CO -0.24 0.50 -0.15 0.87 0.00 0.00 0.00 179.25 180.23 3kgd h LYS 146 N 1.18 0.07 0.00 0.00 1.57 -0.99 -0.79 116.57 117.60 3kgd h LYS 146 Ca 0.38 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3kgd h LYS 146 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3kgd h LYS 146 CO -0.12 0.22 0.00 -0.89 -0.57 0.00 0.00 179.45 178.09 3kgd n ILE 147 N -4.33 0.29 0.00 1.86 5.41 -0.19 -4.54 119.36 117.86 3kgd n ILE 147 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3kgd n ILE 147 Cb 0.24 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 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 1.30 0.90 3.53 7.39 0.00 -0.30 -0.61 105.19 117.39 3kgd n GLY 148 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 4.28 -0.26 -0.61 1.01 0.21 -4.40 121.20 119.43 3kgd s ILE 149 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.45 3kgd s ILE 149 Cb 0.00 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.59 3kgd s ILE 149 CO 0.00 0.45 -0.09 -1.00 0.00 0.00 0.00 174.94 174.30 3kgd s HIS 150 N 0.68 3.18 -0.04 3.97 3.76 -1.26 -2.33 115.29 123.24 3kgd s HIS 150 Ca 0.01 -2.02 -0.11 0.00 -0.15 0.00 0.00 55.06 52.78 3kgd s HIS 150 Cb -0.14 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.58 3kgd s HIS 150 CO 0.02 -0.83 0.26 1.14 -0.85 0.00 0.00 174.74 174.48 3kgd s GLN 151 N 1.19 0.51 -0.08 1.40 -2.07 -1.26 -1.96 119.66 117.39 3kgd s GLN 151 Ca -0.05 -0.02 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 3kgd s GLN 151 Cb -0.19 0.23 0.02 0.00 -1.09 0.00 0.00 33.01 31.98 3kgd s GLN 151 CO -0.05 -0.12 -0.06 -1.14 -1.32 0.00 0.00 175.29 172.60 3kgd s GLN 152 N -0.80 1.23 -0.11 9.60 0.74 0.12 -4.91 119.66 125.54 3kgd s GLN 152 Ca -0.09 -0.18 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 3kgd s GLN 152 Cb -0.05 -1.28 -0.03 0.00 1.10 0.00 0.00 33.01 32.76 3kgd s GLN 152 CO 0.02 -0.18 -0.06 0.99 -0.55 0.00 0.00 175.29 175.51 3kgd s THR 153 N 1.41 3.74 -0.04 -0.34 2.01 -1.26 -0.82 115.64 120.34 3kgd s THR 153 Ca -0.02 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.57 3kgd s THR 153 Cb -0.13 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.80 3kgd s THR 153 CO -0.04 0.54 -0.09 0.42 -0.69 0.00 0.00 174.62 174.77 3kgd s THR 154 N -0.17 0.82 -0.09 -0.82 -4.23 0.86 -4.72 115.64 107.29 3kgd s THR 154 Ca 0.02 -0.34 -0.23 0.00 -1.18 0.00 0.00 61.69 59.96 3kgd s THR 154 Cb -0.13 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 3kgd s THR 154 CO 0.03 0.27 0.71 -0.22 -0.54 0.00 0.00 174.62 174.87 3kgd s LEU 155 N 0.48 4.29 -0.19 4.79 0.20 -1.26 -1.00 118.68 125.99 3kgd s LEU 155 Ca -0.08 1.16 0.03 0.00 0.69 0.00 0.00 54.13 55.93 3kgd s LEU 155 Cb -0.12 -3.08 -0.22 0.00 -0.43 0.00 0.00 46.19 42.34 3kgd s LEU 155 CO 0.01 -0.16 0.09 0.18 -0.29 0.00 0.00 176.35 176.18 3kgd n LEU 156 N 4.04 2.19 -3.58 -0.68 4.77 0.50 -4.99 117.00 119.25 3kgd n LEU 156 Ca -0.01 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 3kgd n LEU 156 Cb 0.51 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3kgd n LEU 156 CO 0.47 0.79 0.26 0.00 -1.33 0.00 0.00 177.39 177.58 3kgd s ARG 157 N -2.53 1.02 0.13 3.23 1.70 -1.03 -4.92 118.95 116.55 3kgd s ARG 157 Ca -0.24 -0.25 -0.14 0.00 -0.47 0.00 0.00 55.73 54.63 3kgd s ARG 157 Cb 0.08 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.86 3kgd s ARG 157 CO 0.71 -0.37 0.52 -1.01 -1.08 0.00 0.00 175.30 174.07 3kgd s HIS 158 N -2.47 3.61 -0.23 5.89 3.76 -1.26 -0.87 115.29 123.73 3kgd s HIS 158 Ca -0.05 1.02 -0.02 0.00 -0.15 0.00 0.00 55.06 55.86 3kgd s HIS 158 Cb -0.01 -2.33 0.07 0.00 1.11 0.00 0.00 32.58 31.42 3kgd s HIS 158 CO -0.02 0.46 0.04 0.20 -0.85 0.00 0.00 174.74 174.57 3kgd s GLY 159 N -1.69 0.87 -0.14 -2.22 0.00 -1.26 -3.92 107.32 98.96 3kgd s GLY 159 Ca 0.36 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 3kgd s GLY 159 CO 0.19 1.42 0.86 -1.36 0.00 0.00 0.00 173.10 174.21 3kgd s PHE 160 N 1.74 3.46 -0.08 1.90 0.08 -1.26 -0.80 117.98 123.04 3kgd s PHE 160 Ca 0.01 1.35 -0.41 0.00 0.12 0.00 0.00 56.93 58.00 3kgd s PHE 160 Cb -0.17 -3.04 -0.19 0.00 -0.57 0.00 0.00 43.02 39.04 3kgd s PHE 160 CO -0.13 -0.20 1.21 0.98 -0.10 0.00 0.00 175.22 176.99 3kgd n TYR 161 N 5.01 0.98 -0.95 0.36 4.19 -1.22 0.37 117.16 125.90 3kgd n TYR 161 Ca 0.05 1.00 0.07 0.00 3.31 0.00 0.00 57.90 62.33 3kgd n TYR 161 Cb 0.49 -2.16 0.35 0.00 0.49 0.00 0.00 39.34 38.52 3kgd n TYR 161 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3kgd n PRO 162 N 2.16 4.18 -2.71 2.98 -0.04 -1.26 -4.99 135.00 135.31 3kgd n PRO 162 Ca 0.22 -3.06 -0.22 0.00 -0.04 0.00 0.00 63.50 60.40 3kgd n PRO 162 Cb 0.08 -2.13 0.03 0.00 -0.04 0.00 0.00 33.50 31.44 3kgd n PRO 162 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgd s ALA 163 N -2.81 3.82 0.06 0.55 0.00 0.16 -4.79 121.76 118.75 3kgd s ALA 163 Ca 0.51 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3kgd s ALA 163 Cb 0.39 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3kgd s ALA 163 CO 0.13 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3kgd n GLY 164 N -2.29 1.82 1.42 0.00 0.00 -1.26 -4.20 105.19 100.68 3kgd n GLY 164 Ca 0.06 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 5.00 2.23 3.85 -0.02 0.00 -1.25 -4.36 105.19 110.64 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 -2.09 1.65 -0.06 -0.02 0.00 -0.10 -4.68 107.32 102.02 3kgd s GLY 166 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 44.72 44.61 3kgd s GLY 166 CO 0.00 0.24 0.13 0.14 0.00 0.00 0.00 173.10 173.61 3kgd s VAL 167 N -3.16 -0.11 -0.01 1.40 1.01 -0.04 -0.73 120.40 118.76 3kgd s VAL 167 Ca 0.57 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3kgd s VAL 167 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3kgd s VAL 167 CO 0.54 0.10 -0.15 -0.69 0.00 0.00 0.00 175.10 174.90 3kgd s VAL 168 N 1.48 1.17 0.05 2.92 1.01 -0.40 -0.37 120.40 126.26 3kgd s VAL 168 Ca -0.06 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kgd s VAL 168 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3kgd s VAL 168 CO -0.06 0.33 -0.12 0.00 0.00 0.00 0.00 175.10 175.26 3kgd s ALA 169 N -0.30 0.99 -0.04 5.51 0.00 -0.17 -0.89 121.76 126.86 3kgd s ALA 169 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3kgd s ALA 169 Cb -0.06 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3kgd s ALA 169 CO -0.00 0.13 -0.05 0.99 0.00 0.00 0.00 175.76 176.82 3kgd s THR 170 N -1.16 0.56 -0.12 0.00 2.01 0.12 -0.10 115.64 116.95 3kgd s THR 170 Ca -0.03 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 3kgd s THR 170 Cb -0.09 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 3kgd s THR 170 CO 0.01 0.22 0.15 -1.61 -0.69 0.00 0.00 174.62 172.71 3kgd s GLU 171 N 0.72 3.55 0.01 4.92 0.41 -0.00 -0.94 118.70 127.37 3kgd s GLU 171 Ca -0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 54.97 54.34 3kgd s GLU 171 Cb -0.13 -3.22 -0.01 0.00 -1.78 0.00 0.00 34.13 28.99 3kgd s GLU 171 CO 0.00 0.72 0.00 0.54 -0.49 0.00 0.00 175.26 176.04 3kgd s VAL 172 N -0.88 0.08 0.14 2.63 0.11 -0.22 -0.70 120.40 121.57 3kgd s VAL 172 Ca 0.15 -0.70 0.10 0.00 -2.93 0.00 0.00 61.98 58.60 3kgd s VAL 172 Cb -0.12 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3kgd s VAL 172 CO 0.04 -0.38 -0.21 -0.44 -3.33 0.00 0.00 175.10 170.77 3kgd s SER 173 N -1.16 3.67 0.58 3.54 0.01 -0.83 -1.41 113.70 118.11 3kgd s SER 173 Ca -0.13 -0.68 -0.19 0.00 1.31 0.00 0.00 55.95 56.26 3kgd s SER 173 Cb -0.08 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 3kgd s SER 173 CO -0.00 0.16 1.21 -2.84 0.41 0.00 0.00 173.24 172.18 3kgd s PRO 174 N -2.30 3.01 0.39 12.44 0.02 -1.26 -4.49 135.00 142.81 3kgd s PRO 174 Ca 0.18 1.85 -0.25 0.00 0.02 0.00 0.00 61.00 62.80 3kgd s PRO 174 Cb -0.10 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 3kgd s PRO 174 CO 0.09 -1.18 1.06 0.14 -0.33 0.00 0.00 177.00 176.78 3kgd s VAL 175 N -1.57 3.68 -0.24 3.83 -7.23 -0.19 -4.91 120.40 113.76 3kgd s VAL 175 Ca 0.77 1.32 -0.02 0.00 -1.81 0.00 0.00 61.98 62.24 3kgd s VAL 175 Cb -0.31 -3.70 -0.14 0.00 0.56 0.00 0.00 36.38 32.79 3kgd s VAL 175 CO 0.34 0.04 -0.24 0.00 -0.31 0.00 0.00 175.10 174.93 3kgd n ALA 176 N 0.05 1.46 -3.41 1.32 0.00 -1.26 -5.01 120.51 113.66 3kgd n ALA 176 Ca 0.04 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 3kgd n ALA 176 Cb 0.49 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -6.53 -0.45 0.32 0.00 0.15 -1.26 -5.17 113.70 100.76 3kgd s SER 177 Ca -0.33 0.84 -0.15 0.00 0.70 0.00 0.00 55.95 57.01 3kgd s SER 177 Cb 0.10 0.81 -0.09 0.00 -1.71 0.00 0.00 66.02 65.13 3kgd s SER 177 CO 0.52 -0.16 0.74 -0.36 1.20 0.00 0.00 173.24 175.18 3kgd s PHE 178 N 0.55 3.39 0.26 3.44 0.08 -1.26 -4.44 117.98 119.99 3kgd s PHE 178 Ca -0.03 1.23 0.10 0.00 0.12 0.00 0.00 56.93 58.36 3kgd s PHE 178 Cb -0.04 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 3kgd s PHE 178 CO -0.03 0.10 -0.16 -0.80 -0.10 0.00 0.00 175.22 174.23 3kgd s ASN 179 N -2.24 3.22 -0.35 1.36 0.02 0.21 -4.95 114.94 112.22 3kgd s ASN 179 Ca 0.54 -1.05 -0.18 0.00 -1.02 0.00 0.00 52.86 51.15 3kgd s ASN 179 Cb -0.11 -0.24 -0.00 0.00 0.02 0.00 0.00 41.25 40.92 3kgd s ASN 179 CO 0.18 -0.07 0.48 -0.89 0.02 0.00 0.00 177.10 176.82 3kgd s THR 180 N -2.70 5.04 -0.14 1.60 2.01 -1.26 -4.65 115.64 115.54 3kgd s THR 180 Ca 0.28 0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 3kgd s THR 180 Cb -0.02 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3kgd s THR 180 CO 0.12 -0.20 0.35 -0.22 -0.69 0.00 0.00 174.62 173.98 3kgd s LEU 181 N 2.32 4.26 -0.16 4.42 2.96 -1.26 -4.97 118.68 126.25 3kgd s LEU 181 Ca 0.17 0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 54.70 3kgd s LEU 181 Cb -0.16 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.09 3kgd s LEU 181 CO 0.13 0.08 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.06 3kgd s GLN 182 N 0.43 1.73 0.18 1.98 -0.21 -1.26 -1.61 119.66 120.90 3kgd s GLN 182 Ca 0.20 -0.53 0.09 0.00 0.02 0.00 0.00 55.36 55.13 3kgd s GLN 182 Cb -0.14 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 3kgd s GLN 182 CO 0.06 -0.36 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.23 3kgd s LEU 183 N 1.58 2.86 0.00 2.90 1.43 -0.25 -4.98 118.68 122.22 3kgd s LEU 183 Ca 0.02 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 3kgd s LEU 183 Cb -0.14 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.51 3kgd s LEU 183 CO -0.08 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3kgd n GLY 184 N 0.13 2.54 3.76 -3.19 0.00 -1.26 -3.42 105.19 103.74 3kgd n GLY 184 Ca -0.11 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 2.57 2.83 0.24 1.61 -1.05 -1.26 -1.08 118.70 122.55 3kgd s GLU 185 Ca 0.00 1.64 0.03 0.00 -0.15 0.00 0.00 54.97 56.49 3kgd s GLU 185 Cb 0.00 -1.93 0.26 0.00 -0.44 0.00 0.00 34.13 32.01 3kgd s GLU 185 CO 0.00 -1.27 1.57 -0.09 0.95 0.00 0.00 175.26 176.42 3kgd h ARG 186 N 0.46 0.29 0.00 -4.83 2.43 -1.03 -3.38 114.38 108.32 3kgd h ARG 186 Ca -0.49 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.49 3kgd h ARG 186 Cb 1.27 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3kgd h ARG 186 CO 0.54 0.78 0.00 0.41 -1.51 0.00 0.00 179.97 180.19 3kgd n GLY 187 N 0.20 -1.48 3.79 2.80 0.00 -1.26 -2.38 105.19 106.85 3kgd n GLY 187 Ca -0.02 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 6.01 0.17 1.61 0.01 -1.26 -4.63 114.94 112.84 3kgd s ASN 188 Ca 0.00 2.03 -0.31 0.00 -0.71 0.00 0.00 52.86 53.88 3kgd s ASN 188 Cb 0.00 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 3kgd s ASN 188 CO 0.00 -1.02 1.41 -0.63 -1.51 0.00 0.00 177.10 175.35 3kgd s ILE 189 N -1.92 3.05 -0.20 0.60 -1.09 -1.26 -0.23 121.20 120.15 3kgd s ILE 189 Ca 0.70 0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 59.76 3kgd s ILE 189 Cb -0.20 -3.51 -0.11 0.00 -1.58 0.00 0.00 42.46 37.06 3kgd s ILE 189 CO 0.24 0.09 -0.08 0.52 -1.23 0.00 0.00 174.94 174.48 3kgd n VAL 190 N 3.31 1.49 -3.59 2.92 0.31 0.68 -4.85 118.33 118.60 3kgd n VAL 190 Ca 0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.33 3kgd n VAL 190 Cb 0.41 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 31.16 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 -2.42 1.40 -0.07 5.55 -2.07 -0.81 -5.02 119.66 116.21 3kgd s GLN 191 Ca -0.26 -0.67 0.04 0.00 -1.82 0.00 0.00 55.36 52.65 3kgd s GLN 191 Cb 0.06 0.58 -0.01 0.00 -1.09 0.00 0.00 33.01 32.54 3kgd s GLN 191 CO 0.44 -0.62 -0.21 -1.64 -1.32 0.00 0.00 175.29 171.95 3kgd s MET 192 N -3.81 2.75 -0.09 9.60 -1.94 -1.26 -1.08 119.30 123.47 3kgd s MET 192 Ca 0.05 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.23 3kgd s MET 192 Cb -0.02 -2.31 0.01 0.00 2.01 0.00 0.00 34.83 34.53 3kgd s MET 192 CO -0.07 0.38 -0.16 0.50 -0.01 0.00 0.00 175.02 175.66 3kgd s ARG 193 N -0.12 2.16 -0.03 2.03 3.52 -0.20 -0.72 118.95 125.59 3kgd s ARG 193 Ca -0.04 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 3kgd s ARG 193 Cb -0.14 -1.77 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 3kgd s ARG 193 CO 0.04 0.01 -0.08 0.20 -0.81 0.00 0.00 175.30 174.66 3kgd s GLY 194 N 0.75 1.69 -0.01 8.12 0.00 0.36 -0.30 107.32 117.94 3kgd s GLY 194 Ca -0.12 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3kgd s GLY 194 CO 0.02 -0.80 -0.02 -0.54 0.00 0.00 0.00 173.10 171.76 3kgd s GLU 195 N -1.09 0.31 -0.04 2.90 2.02 -0.51 -0.87 118.70 121.41 3kgd s GLU 195 Ca 0.14 -0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.13 3kgd s GLU 195 Cb -0.11 -0.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.76 3kgd s GLU 195 CO 0.04 0.01 -0.23 0.08 0.02 0.00 0.00 175.26 175.18 3kgd s VAL 196 N 0.27 1.90 -0.14 2.63 1.01 0.39 -0.66 120.40 125.80 3kgd s VAL 196 Ca -0.03 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 3kgd s VAL 196 Cb -0.05 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3kgd s VAL 196 CO -0.01 0.53 -0.02 -0.76 0.00 0.00 0.00 175.10 174.84 3kgd s LEU 197 N -0.24 3.35 -0.01 3.92 1.43 -0.23 -0.95 118.68 125.95 3kgd s LEU 197 Ca -0.00 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 3kgd s LEU 197 Cb -0.12 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 3kgd s LEU 197 CO 0.02 0.22 -0.14 -0.76 0.23 0.00 0.00 176.35 175.93 3kgd s LEU 198 N 0.03 2.04 -0.15 1.79 1.43 -0.41 -1.75 118.68 121.66 3kgd s LEU 198 Ca 0.01 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3kgd s LEU 198 Cb -0.13 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.45 3kgd s LEU 198 CO 0.02 0.16 0.13 0.00 0.23 0.00 0.00 176.35 176.89 3kgd s ALA 199 N -0.36 0.16 -1.50 4.21 0.00 -0.04 -0.54 121.76 123.70 3kgd s ALA 199 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 3kgd s ALA 199 Cb -0.05 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.04 3kgd s ALA 199 CO -0.00 -1.03 0.08 0.41 0.00 0.00 0.00 175.76 175.22 3kgd n GLY 200 N 5.30 -0.36 3.01 0.00 0.00 -1.26 -1.37 105.19 110.50 3kgd n GLY 200 Ca -0.06 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.92 0.80 0.58 1.61 1.01 -1.26 -4.79 120.40 115.42 3kgd s VAL 201 Ca 0.04 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3kgd s VAL 201 Cb -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3kgd s VAL 201 CO 0.05 0.24 1.31 -2.84 0.00 0.00 0.00 175.10 173.86 3kgd s PRO 202 N 0.12 2.98 0.49 2.72 0.02 -1.26 -4.89 135.00 135.17 3kgd s PRO 202 Ca -0.02 2.10 0.19 0.00 0.02 0.00 0.00 61.00 63.29 3kgd s PRO 202 Cb -0.08 -2.09 1.21 0.00 0.02 0.00 0.00 34.50 33.56 3kgd s PRO 202 CO 0.00 -1.28 2.05 0.07 -0.33 0.00 0.00 177.00 177.52 3kgd h ARG 203 N 1.14 0.00 0.00 5.54 0.11 -2.02 -2.21 114.38 116.94 3kgd h ARG 203 Ca -0.51 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 3kgd h ARG 203 Cb 1.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.39 3kgd h ARG 203 CO 0.56 0.13 -0.02 1.12 0.10 0.00 0.00 179.97 181.86 3kgd h HIS 204 N 0.00 0.00 -0.41 4.08 2.07 -1.99 -1.15 115.15 117.75 3kgd h HIS 204 Ca -0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3kgd h HIS 204 Cb 0.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.22 3kgd h HIS 204 CO 0.00 0.02 0.19 0.28 -3.07 0.00 0.00 177.93 175.36 3kgd h VAL 205 N 0.00 1.18 -0.34 6.12 2.07 -1.75 -1.03 116.25 122.50 3kgd h VAL 205 Ca -0.00 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.87 3kgd h VAL 205 Cb 0.08 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3kgd h VAL 205 CO 0.00 0.19 -0.37 0.00 0.02 0.00 0.00 177.57 177.41 3kgd h ALA 206 N 1.04 0.70 -0.49 1.67 0.00 -1.37 -0.37 119.26 120.44 3kgd h ALA 206 Ca 0.14 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3kgd h ALA 206 Cb 0.12 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3kgd h ALA 206 CO -0.02 0.66 0.23 1.49 0.00 0.00 0.00 179.25 181.62 3kgd h GLU 207 N 0.65 0.44 -0.09 0.00 4.57 -1.23 -0.11 114.58 118.81 3kgd h GLU 207 Ca 0.06 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 3kgd h GLU 207 Cb 0.93 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 3kgd h GLU 207 CO 0.09 0.29 -0.56 -0.09 -1.18 0.00 0.00 179.01 177.55 3kgd h ARG 208 N 0.45 0.27 -0.19 1.92 9.65 -0.75 -1.44 114.38 124.29 3kgd h ARG 208 Ca 0.22 -0.17 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 3kgd h ARG 208 Cb 0.15 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 3kgd h ARG 208 CO -0.17 0.76 -0.14 0.93 2.80 0.00 0.00 179.97 184.15 3kgd h GLU 209 N 0.21 0.42 -0.59 0.20 5.08 -0.69 -0.01 114.58 119.19 3kgd h GLU 209 Ca -0.00 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 3kgd h GLU 209 Cb 1.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3kgd h GLU 209 CO 0.09 0.75 0.13 0.82 -1.00 0.00 0.00 179.01 179.80 3kgd h ILE 210 N 0.09 1.25 -0.70 3.13 1.08 -0.99 -1.68 117.51 119.69 3kgd h ILE 210 Ca 0.04 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 3kgd h ILE 210 Cb 0.65 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 3kgd h ILE 210 CO 0.04 0.34 0.46 0.00 -0.69 0.00 0.00 178.15 178.30 3kgd h ALA 211 N 1.03 1.48 -0.30 1.87 0.00 -1.19 0.77 119.26 122.92 3kgd h ALA 211 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3kgd h ALA 211 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kgd h ALA 211 CO 0.00 0.47 -0.05 1.15 0.00 0.00 0.00 179.25 180.83 3kgd h THR 212 N 0.96 1.27 -0.57 0.00 2.02 -0.50 -1.57 112.91 114.52 3kgd h THR 212 Ca 0.26 -1.06 0.02 0.00 0.77 0.00 0.00 66.41 66.40 3kgd h THR 212 Cb -0.10 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3kgd h THR 212 CO -0.05 0.34 0.36 -0.07 0.37 0.00 0.00 175.52 176.47 3kgd h LEU 213 N 0.33 0.61 -2.47 2.58 3.38 -0.96 -2.16 115.31 116.61 3kgd h LEU 213 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kgd h LEU 213 Cb 0.52 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3kgd h LEU 213 CO 0.02 0.43 -0.02 0.00 0.09 0.00 0.00 178.44 178.97 3kgd h ALA 214 N 1.23 1.12 0.00 1.53 0.00 -0.70 -1.26 119.26 121.18 3kgd h ALA 214 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kgd h ALA 214 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kgd h ALA 214 CO -0.08 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3kgd n GLY 215 N -0.85 -1.42 0.00 0.00 0.00 -0.60 -3.93 105.19 98.38 3kgd n GLY 215 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kgd n GLY 215 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kgd n SER 216 N -2.19 4.55 -4.16 1.61 7.64 -0.72 -5.06 113.62 115.29 3kgd n SER 216 Ca 0.03 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 3kgd n SER 216 Cb 0.30 0.76 -0.11 0.00 -1.01 0.00 0.00 64.21 64.14 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 -1.85 1.09 -0.49 1.43 0.08 -0.56 -5.09 117.98 112.59 3kgd s PHE 217 Ca 0.00 -0.54 -0.26 0.00 0.12 0.00 0.00 56.93 56.25 3kgd s PHE 217 Cb 0.00 -0.61 0.03 0.00 -0.57 0.00 0.00 43.02 41.87 3kgd s PHE 217 CO 0.00 0.02 1.00 0.45 -0.10 0.00 0.00 175.22 176.60 3kgd s SER 218 N -2.00 6.50 -0.24 1.36 0.15 -1.26 -4.29 113.70 113.92 3kgd s SER 218 Ca -0.00 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.60 3kgd s SER 218 Cb -0.07 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 3kgd s SER 218 CO 0.01 -1.16 0.53 -0.76 1.20 0.00 0.00 173.24 173.06 3kgd s LEU 219 N 4.06 4.09 0.08 3.45 1.43 -1.26 -4.61 118.68 125.92 3kgd s LEU 219 Ca 0.39 0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 54.00 3kgd s LEU 219 Cb -0.09 -2.70 -0.23 0.00 0.03 0.00 0.00 46.19 43.20 3kgd s LEU 219 CO 0.27 -0.26 1.18 0.45 0.23 0.00 0.00 176.35 178.22 3kgd h HIS 220 N 7.80 0.75 -4.47 0.29 3.86 -1.32 -3.44 115.15 118.62 3kgd h HIS 220 Ca -0.30 -0.47 -0.65 0.00 -1.16 0.00 0.00 60.37 57.78 3kgd h HIS 220 Cb 1.14 -0.06 -0.30 0.00 1.06 0.00 0.00 27.41 29.25 3kgd h HIS 220 CO 0.74 1.32 -0.87 -1.21 0.86 0.00 0.00 177.93 178.77 3kgd s GLU 221 N -2.98 1.95 -0.08 2.45 2.02 -1.01 -5.03 118.70 116.02 3kgd s GLU 221 Ca -0.07 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.09 3kgd s GLU 221 Cb 0.07 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.46 3kgd s GLU 221 CO 0.90 0.49 -0.08 -0.65 0.02 0.00 0.00 175.26 175.94 3kgd s GLN 222 N -0.51 1.38 -0.04 1.61 -0.21 -1.26 -0.48 119.66 120.15 3kgd s GLN 222 Ca 0.08 -0.24 0.03 0.00 0.02 0.00 0.00 55.36 55.25 3kgd s GLN 222 Cb -0.09 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.56 3kgd s GLN 222 CO -0.00 -0.15 -0.13 -0.80 -2.12 0.00 0.00 175.29 172.08 3kgd s ASN 223 N 1.29 1.76 -0.10 5.90 0.01 -0.05 -4.98 114.94 118.77 3kgd s ASN 223 Ca -0.03 -0.29 0.03 0.00 -0.71 0.00 0.00 52.86 51.86 3kgd s ASN 223 Cb -0.14 -0.57 0.01 0.00 0.41 0.00 0.00 41.25 40.96 3kgd s ASN 223 CO -0.03 0.09 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.82 3kgd s ILE 224 N 0.25 1.79 -0.17 0.60 1.01 -1.26 -0.46 121.20 122.96 3kgd s ILE 224 Ca -0.06 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.74 3kgd s ILE 224 Cb -0.12 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.82 3kgd s ILE 224 CO 0.02 0.50 -0.07 -2.28 0.00 0.00 0.00 174.94 173.11 3kgd s HIS 225 N 0.58 1.91 -0.26 3.97 2.46 -0.13 -4.98 115.29 118.85 3kgd s HIS 225 Ca -0.14 -1.23 -0.18 0.00 0.47 0.00 0.00 55.06 53.98 3kgd s HIS 225 Cb -0.17 -1.41 -0.03 0.00 -0.13 0.00 0.00 32.58 30.84 3kgd s HIS 225 CO 0.05 -0.65 0.51 1.21 -2.47 0.00 0.00 174.74 173.39 3kgd s ASN 226 N 1.56 6.44 0.50 9.88 2.47 -1.26 -1.29 114.94 133.24 3kgd s ASN 226 Ca 0.00 0.52 0.05 0.00 0.42 0.00 0.00 52.86 53.85 3kgd s ASN 226 Cb -0.15 -2.28 0.03 0.00 -1.45 0.00 0.00 41.25 37.39 3kgd s ASN 226 CO -0.08 -0.28 0.69 -0.76 -3.72 0.00 0.00 177.10 172.94 3kgd s LEU 227 N 2.29 3.44 0.42 3.21 1.43 0.30 -4.97 118.68 124.79 3kgd s LEU 227 Ca 0.21 -0.25 -0.26 0.00 -1.03 0.00 0.00 54.13 52.80 3kgd s LEU 227 Cb -0.16 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.28 3kgd s LEU 227 CO 0.09 -1.00 1.38 -2.65 0.23 0.00 0.00 176.35 174.41 3kgd n PRO 228 N -2.13 2.23 -0.24 1.29 -0.02 -1.26 -4.45 135.00 130.43 3kgd n PRO 228 Ca 0.09 0.79 0.04 0.00 -2.02 0.00 0.00 63.50 62.40 3kgd n PRO 228 Cb 0.59 -2.54 0.15 0.00 -0.02 0.00 0.00 33.50 31.68 3kgd n PRO 228 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kgd h ARG 229 N 2.39 0.15 0.00 -0.52 2.43 -1.96 -0.56 114.38 116.31 3kgd h ARG 229 Ca -0.49 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3kgd h ARG 229 Cb 1.27 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3kgd h ARG 229 CO 0.61 0.10 0.00 -0.40 -1.51 0.00 0.00 179.97 178.77 3kgd n ASP 230 N -5.27 0.00 -0.26 -3.80 5.75 -1.26 -0.46 116.55 111.26 3kgd n ASP 230 Ca 0.12 -0.36 0.13 0.00 -0.01 0.00 0.00 54.79 54.67 3kgd n ASP 230 Cb 0.43 -0.11 0.43 0.00 -1.03 0.00 0.00 41.12 40.83 3kgd n ASP 230 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kgd n GLN 231 N -1.11 0.92 -0.80 0.11 6.02 -0.22 -4.93 117.38 117.36 3kgd n GLN 231 Ca 0.12 -0.52 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 3kgd n GLN 231 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 1.31 4.60 3.77 1.08 0.00 0.40 -4.05 105.19 112.29 3kgd n GLY 232 Ca 0.13 -2.11 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.10 4.19 -0.07 1.61 0.02 -1.26 -4.96 135.00 134.44 3kgd s PRO 233 Ca 0.00 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.64 3kgd s PRO 233 Cb 0.00 -2.83 0.11 0.00 0.02 0.00 0.00 34.50 31.80 3kgd s PRO 233 CO 0.00 -0.22 0.96 0.20 -0.33 0.00 0.00 177.00 177.60 3kgd s GLY 234 N -0.96 -0.40 -0.28 0.52 0.00 -0.47 -4.75 107.32 100.99 3kgd s GLY 234 Ca 0.54 1.32 -0.16 0.00 0.00 0.00 0.00 44.72 46.42 3kgd s GLY 234 CO 0.42 0.52 0.68 0.21 0.00 0.00 0.00 173.10 174.93 3kgd s ASN 235 N -2.13 -0.94 0.08 1.64 2.47 -1.26 -0.86 114.94 113.94 3kgd s ASN 235 Ca 0.04 1.50 0.05 0.00 0.42 0.00 0.00 52.86 54.87 3kgd s ASN 235 Cb -0.01 1.39 -0.03 0.00 -1.45 0.00 0.00 41.25 41.15 3kgd s ASN 235 CO -0.06 -0.24 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.05 3kgd s THR 236 N 1.66 1.15 -0.04 -5.21 2.01 -0.72 0.18 115.64 114.68 3kgd s THR 236 Ca -0.10 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 60.60 3kgd s THR 236 Cb -0.05 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.33 3kgd s THR 236 CO -0.20 -0.23 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.66 3kgd s VAL 237 N -1.32 1.34 0.12 3.82 1.01 -0.45 -1.07 120.40 123.84 3kgd s VAL 237 Ca -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3kgd s VAL 237 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3kgd s VAL 237 CO 0.02 0.39 -0.09 -0.44 0.00 0.00 0.00 175.10 174.98 3kgd s SER 238 N 0.05 1.46 -0.03 3.32 0.01 0.16 -1.08 113.70 117.60 3kgd s SER 238 Ca -0.03 -0.95 -0.01 0.00 1.31 0.00 0.00 55.95 56.26 3kgd s SER 238 Cb -0.11 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.18 3kgd s SER 238 CO 0.02 -0.36 0.04 -0.22 0.41 0.00 0.00 173.24 173.13 3kgd s LEU 239 N -2.92 0.60 -0.16 2.44 2.96 -0.07 -1.42 118.68 120.11 3kgd s LEU 239 Ca 0.12 0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 54.02 3kgd s LEU 239 Cb 0.02 -0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 3kgd s LEU 239 CO -0.01 -0.19 0.06 -0.70 -1.32 0.00 0.00 176.35 174.18 3kgd s GLU 240 N 1.63 3.77 -0.33 1.98 2.12 0.59 -1.13 118.70 127.34 3kgd s GLU 240 Ca -0.02 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.93 3kgd s GLU 240 Cb -0.13 -3.14 0.05 0.00 0.26 0.00 0.00 34.13 31.18 3kgd s GLU 240 CO -0.03 0.38 0.06 0.08 -0.54 0.00 0.00 175.26 175.22 3kgd s VAL 241 N 0.05 3.33 -0.28 3.70 1.01 0.20 -1.03 120.40 127.38 3kgd s VAL 241 Ca 0.05 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 3kgd s VAL 241 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3kgd s VAL 241 CO 0.01 -0.20 0.31 -0.70 0.00 0.00 0.00 175.10 174.51 3kgd s GLU 242 N 1.30 3.93 0.46 2.72 2.12 -0.24 -1.21 118.70 127.78 3kgd s GLU 242 Ca -0.02 -0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.19 3kgd s GLU 242 Cb -0.20 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 3kgd s GLU 242 CO 0.00 -0.27 0.02 -1.12 -0.54 0.00 0.00 175.26 173.35 3kgd s SER 243 N 1.69 3.77 0.24 -1.70 0.01 0.60 -0.23 113.70 118.08 3kgd s SER 243 Ca 0.12 -1.55 -0.05 0.00 1.31 0.00 0.00 55.95 55.78 3kgd s SER 243 Cb -0.16 0.21 0.38 0.00 0.21 0.00 0.00 66.02 66.66 3kgd s SER 243 CO 0.11 -0.73 1.82 -0.08 0.41 0.00 0.00 173.24 174.77 3kgd h GLU 244 N 1.58 0.79 -0.01 12.44 4.81 -0.69 -3.14 114.58 130.37 3kgd h GLU 244 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kgd h GLU 244 Cb 1.28 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3kgd h GLU 244 CO 0.74 0.52 -0.43 0.09 -0.73 0.00 0.00 179.01 179.21 3kgd n ASN 245 N -4.72 1.45 -3.54 1.04 3.02 -1.00 -5.02 115.26 106.49 3kgd n ASN 245 Ca 0.13 -1.23 -0.07 0.00 -0.03 0.00 0.00 54.58 53.38 3kgd n ASN 245 Cb 0.26 0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 39.99 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 -2.05 0.00 -0.13 2.41 2.07 -1.19 -5.04 121.20 117.27 3kgd s ILE 246 Ca 0.12 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.35 3kgd s ILE 246 Cb 0.13 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 3kgd s ILE 246 CO 0.46 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.48 3kgd s THR 247 N -2.68 3.13 0.29 4.00 2.01 -1.26 -0.30 115.64 120.83 3kgd s THR 247 Ca 0.06 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 61.54 3kgd s THR 247 Cb -0.01 -2.32 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 3kgd s THR 247 CO -0.07 0.52 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.62 3kgd s GLU 248 N 0.37 1.78 -0.06 4.92 0.41 -0.35 -4.66 118.70 121.12 3kgd s GLU 248 Ca -0.10 -1.76 -0.07 0.00 -0.41 0.00 0.00 54.97 52.63 3kgd s GLU 248 Cb -0.16 -1.81 0.02 0.00 -1.78 0.00 0.00 34.13 30.40 3kgd s GLU 248 CO 0.05 0.30 0.18 1.03 -0.49 0.00 0.00 175.26 176.33 3kgd s ARG 249 N -3.55 0.26 0.11 1.61 0.52 -1.26 -0.63 118.95 116.02 3kgd s ARG 249 Ca 0.31 0.17 0.07 0.00 -0.52 0.00 0.00 55.73 55.76 3kgd s ARG 249 Cb -0.04 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 3kgd s ARG 249 CO 0.16 -0.04 -0.18 -0.06 0.02 0.00 0.00 175.30 175.20 3kgd s PHE 250 N -0.12 1.64 0.06 -0.53 0.08 -0.28 -4.98 117.98 113.85 3kgd s PHE 250 Ca -0.02 -0.45 -0.16 0.00 0.12 0.00 0.00 56.93 56.41 3kgd s PHE 250 Cb -0.02 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.58 3kgd s PHE 250 CO 0.01 0.20 0.37 -0.59 -0.10 0.00 0.00 175.22 175.10 3kgd s PHE 251 N -1.50 -0.19 0.02 0.36 -0.12 -1.26 -0.89 117.98 114.39 3kgd s PHE 251 Ca 0.07 0.06 0.04 0.00 -0.05 0.00 0.00 56.93 57.04 3kgd s PHE 251 Cb -0.08 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.47 3kgd s PHE 251 CO 0.04 -0.58 -0.11 0.08 -0.05 0.00 0.00 175.22 174.60 3kgd s VAL 252 N -2.83 0.86 -0.19 -2.49 1.01 -0.24 -4.97 120.40 111.55 3kgd s VAL 252 Ca -0.03 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3kgd s VAL 252 Cb -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3kgd s VAL 252 CO -0.05 0.06 0.07 -0.69 0.00 0.00 0.00 175.10 174.49 3kgd s VAL 253 N -0.59 4.81 0.47 2.92 1.01 -1.26 -1.34 120.40 126.41 3kgd s VAL 253 Ca 0.01 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 3kgd s VAL 253 Cb -0.06 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 3kgd s VAL 253 CO 0.00 0.45 1.34 -0.83 0.00 0.00 0.00 175.10 176.07 3kgd s GLY 254 N 0.43 2.90 0.12 4.51 0.00 0.13 -5.00 107.32 110.40 3kgd s GLY 254 Ca 0.03 1.30 0.06 0.00 0.00 0.00 0.00 44.72 46.11 3kgd s GLY 254 CO 0.00 1.86 -0.13 -0.54 0.00 0.00 0.00 173.10 174.29 3kgd s GLU 255 N -2.55 1.00 0.38 2.90 2.02 -1.26 -4.71 118.70 116.48 3kgd s GLU 255 Ca 0.63 -1.23 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 3kgd s GLU 255 Cb -0.39 -0.85 -0.11 0.00 0.10 0.00 0.00 34.13 32.87 3kgd s GLU 255 CO 0.49 0.16 1.50 1.63 0.02 0.00 0.00 175.26 179.06 3kgd n LYS 256 N 0.52 2.70 -1.33 1.61 5.02 -1.26 -2.12 118.16 123.31 3kgd n LYS 256 Ca -0.15 0.95 -0.11 0.00 -2.02 0.00 0.00 58.31 56.98 3kgd n LYS 256 Cb 0.57 -2.69 -0.05 0.00 -0.02 0.00 0.00 35.03 32.85 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 0.46 -0.75 -4.45 1.97 1.74 -1.26 -5.00 116.66 109.37 3kgd n ARG 257 Ca 0.01 0.87 -0.27 0.00 -0.77 0.00 0.00 57.85 57.69 3kgd n ARG 257 Cb 0.39 -4.83 -0.17 0.00 -1.02 0.00 0.00 32.46 26.83 3kgd n ARG 257 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kgd s VAL 258 N -2.40 1.33 0.64 1.55 0.11 -0.90 -5.14 120.40 115.59 3kgd s VAL 258 Ca 0.00 -0.55 -0.12 0.00 -2.93 0.00 0.00 61.98 58.37 3kgd s VAL 258 Cb 0.00 -1.23 -0.02 0.00 -1.53 0.00 0.00 36.38 33.61 3kgd s VAL 258 CO 0.00 0.41 1.05 -0.94 -3.33 0.00 0.00 175.10 172.28 3kgd s SER 259 N 0.95 5.73 0.24 3.54 1.04 -1.26 -4.56 113.70 119.38 3kgd s SER 259 Ca -0.08 1.62 -0.06 0.00 0.48 0.00 0.00 55.95 57.91 3kgd s SER 259 Cb -0.15 -2.50 0.44 0.00 0.10 0.00 0.00 66.02 63.91 3kgd s SER 259 CO -0.00 -1.21 1.67 0.00 0.98 0.00 0.00 173.24 174.68 3kgd h ALA 260 N -0.25 0.88 -0.72 5.32 0.00 -1.96 -1.68 119.26 120.85 3kgd h ALA 260 Ca -0.45 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kgd h ALA 260 Cb 1.21 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3kgd h ALA 260 CO 0.58 -0.36 0.40 0.93 0.00 0.00 0.00 179.25 180.79 3kgd h GLU 261 N 0.22 1.01 -0.09 0.00 3.07 -1.92 -0.72 114.58 116.14 3kgd h GLU 261 Ca 0.40 -0.12 -0.22 0.00 -0.50 0.00 0.00 59.36 58.92 3kgd h GLU 261 Cb 0.70 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3kgd h GLU 261 CO -0.54 0.75 -0.83 0.28 -1.40 0.00 0.00 179.01 177.28 3kgd h VAL 262 N 1.00 1.32 -0.18 3.13 2.07 -1.84 -1.89 116.25 119.86 3kgd h VAL 262 Ca 0.25 -2.12 0.03 0.00 0.82 0.00 0.00 66.70 65.69 3kgd h VAL 262 Cb 0.04 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3kgd h VAL 262 CO -0.04 0.66 -0.02 0.58 0.02 0.00 0.00 177.57 178.77 3kgd h VAL 263 N 0.41 0.85 -0.43 2.57 2.07 -1.03 -2.17 116.25 118.52 3kgd h VAL 263 Ca -0.06 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3kgd h VAL 263 Cb 1.45 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3kgd h VAL 263 CO 0.16 0.01 -0.09 0.00 0.02 0.00 0.00 177.57 177.66 3kgd h ALA 264 N 1.17 1.03 -0.54 1.67 0.00 -1.14 -2.69 119.26 118.75 3kgd h ALA 264 Ca 0.09 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3kgd h ALA 264 Cb 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3kgd h ALA 264 CO -0.16 0.59 0.36 0.00 0.00 0.00 0.00 179.25 180.04 3kgd h ALA 265 N 1.20 1.66 -0.56 0.00 0.00 -1.12 0.73 119.26 121.17 3kgd h ALA 265 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3kgd h ALA 265 Cb 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kgd h ALA 265 CO 0.03 0.30 0.15 0.37 0.00 0.00 0.00 179.25 180.10 3kgd h GLN 266 N 0.69 0.89 -0.35 0.00 4.15 -1.07 -1.14 115.11 118.28 3kgd h GLN 266 Ca 0.21 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 3kgd h GLN 266 Cb -0.01 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3kgd h GLN 266 CO -0.05 0.82 -0.07 1.25 -1.93 0.00 0.00 178.83 178.85 3kgd h LEU 267 N 0.79 0.67 -0.55 -2.39 5.85 -1.12 -2.45 115.31 116.11 3kgd h LEU 267 Ca 0.18 -0.35 0.09 0.00 0.84 0.00 0.00 57.88 58.63 3kgd h LEU 267 Cb 0.32 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3kgd h LEU 267 CO -0.00 0.87 0.16 0.58 -0.34 0.00 0.00 178.44 179.71 3kgd h VAL 268 N 0.46 0.75 -0.93 1.05 2.07 -0.70 -0.91 116.25 118.03 3kgd h VAL 268 Ca 0.09 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3kgd h VAL 268 Cb 0.56 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3kgd h VAL 268 CO 0.03 0.06 0.60 0.11 0.02 0.00 0.00 177.57 178.39 3kgd h LYS 269 N 0.32 1.24 -0.31 1.57 1.57 -1.02 0.23 116.57 120.17 3kgd h LYS 269 Ca 0.28 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 3kgd h LYS 269 Cb 0.35 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kgd h LYS 269 CO -0.31 0.83 -0.34 1.49 -0.57 0.00 0.00 179.45 180.55 3kgd h GLU 270 N 1.27 0.77 -0.45 3.15 4.81 -0.90 -1.52 114.58 121.72 3kgd h GLU 270 Ca 0.34 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 3kgd h GLU 270 Cb -0.12 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3kgd h GLU 270 CO -0.07 1.05 -0.12 0.28 -0.73 0.00 0.00 179.01 179.42 3kgd h VAL 271 N 0.54 1.27 -0.93 0.32 2.07 -0.84 -2.00 116.25 116.69 3kgd h VAL 271 Ca 0.05 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3kgd h VAL 271 Cb 0.92 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3kgd h VAL 271 CO 0.08 0.42 0.61 0.11 0.02 0.00 0.00 177.57 178.81 3kgd h LYS 272 N 0.71 1.08 -0.63 1.57 1.57 -0.87 -0.75 116.57 119.24 3kgd h LYS 272 Ca 0.11 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3kgd h LYS 272 Cb 0.66 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3kgd h LYS 272 CO 0.05 0.71 0.22 -0.09 -0.57 0.00 0.00 179.45 179.77 3kgd h ARG 273 N 1.11 0.96 -0.49 3.15 2.43 -0.97 0.43 114.38 121.00 3kgd h ARG 273 Ca 0.39 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3kgd h ARG 273 Cb 0.11 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3kgd h ARG 273 CO -0.13 0.83 0.27 -0.92 -1.51 0.00 0.00 179.97 178.51 3kgd h TYR 274 N 0.89 0.50 0.00 2.20 3.20 -0.62 -2.87 116.97 120.28 3kgd h TYR 274 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3kgd h TYR 274 Cb 0.26 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3kgd h TYR 274 CO 0.02 0.27 0.00 -0.07 -1.64 0.00 0.00 178.16 176.74 3kgd h LEU 275 N 0.54 0.00 0.00 2.82 3.38 -0.70 -2.84 115.31 118.52 3kgd h LEU 275 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kgd h LEU 275 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kgd h LEU 275 CO -0.12 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.41 3kgd n ALA 276 N -1.88 2.06 -2.56 1.53 0.00 0.10 -4.76 120.51 115.00 3kgd n ALA 276 Ca 0.04 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 3kgd n ALA 276 Cb 0.42 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.90 4.50 0.06 0.00 0.15 -1.07 -5.05 113.70 109.39 3kgd s SER 277 Ca 0.13 -0.80 0.26 0.00 0.70 0.00 0.00 55.95 56.24 3kgd s SER 277 Cb 0.15 -0.70 0.69 0.00 -1.71 0.00 0.00 66.02 64.44 3kgd s SER 277 CO 0.39 -0.20 1.57 0.35 1.20 0.00 0.00 173.24 176.55 3kgd n THR 278 N -1.03 0.17 -2.30 6.45 -2.24 -1.26 -4.97 114.28 109.10 3kgd n THR 278 Ca -0.04 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 3kgd n THR 278 Cb 0.61 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -3.06 3.40 -0.00 6.98 0.00 -1.26 -0.55 121.76 127.26 3kgd s ALA 279 Ca 0.10 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.87 3kgd s ALA 279 Cb 0.16 -3.39 -0.18 0.00 0.00 0.00 0.00 23.12 19.70 3kgd s ALA 279 CO 0.65 -0.41 1.29 0.00 0.00 0.00 0.00 175.76 177.29 3kgd h ALA 280 N 3.43 -0.14 -2.42 0.00 0.00 -1.29 -3.40 119.26 115.44 3kgd h ALA 280 Ca -0.48 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 53.70 3kgd h ALA 280 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3kgd h ALA 280 CO 0.65 -0.39 0.53 0.08 0.00 0.00 0.00 179.25 180.13 3kgd s VAL 281 N -4.57 4.35 0.85 0.00 1.01 -1.25 -4.89 120.40 115.90 3kgd s VAL 281 Ca -0.15 1.68 -0.12 0.00 0.00 0.00 0.00 61.98 63.39 3kgd s VAL 281 Cb 0.02 -4.08 0.13 0.00 0.00 0.00 0.00 36.38 32.46 3kgd s VAL 281 CO 0.62 0.10 1.20 -0.83 0.00 0.00 0.00 175.10 176.19 3kgd s GLY 282 N 1.12 1.70 0.28 4.51 0.00 -1.26 -4.47 107.32 109.20 3kgd s GLY 282 Ca 0.56 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 3kgd s GLY 282 CO 0.27 -0.43 1.94 -2.09 0.00 0.00 0.00 173.10 172.79 3kgd h GLU 283 N -1.19 1.18 0.11 2.90 4.81 -1.96 -2.28 114.58 118.15 3kgd h GLU 283 Ca -0.44 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.46 3kgd h GLU 283 Cb 1.28 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 3kgd h GLU 283 CO 0.51 0.78 -1.32 1.88 -0.73 0.00 0.00 179.01 180.13 3kgd h TYR 284 N 1.22 0.43 -0.92 0.92 0.05 -1.95 -3.30 116.97 113.41 3kgd h TYR 284 Ca 0.35 -0.31 0.16 0.00 0.05 0.00 0.00 58.73 58.98 3kgd h TYR 284 Cb -0.08 -0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.57 3kgd h TYR 284 CO -0.00 1.52 0.59 1.25 -1.05 0.00 0.00 178.16 180.47 3kgd h LEU 285 N -0.35 0.67 -0.67 3.88 5.85 -1.94 -2.01 115.31 120.74 3kgd h LEU 285 Ca -0.28 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.60 3kgd h LEU 285 Cb 1.72 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.59 3kgd h LEU 285 CO 0.06 0.31 0.25 0.00 -0.34 0.00 0.00 178.44 178.72 3kgd h ALA 286 N 1.60 0.89 0.00 1.25 0.00 -1.48 0.77 119.26 122.29 3kgd h ALA 286 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3kgd h ALA 286 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3kgd h ALA 286 CO -0.24 -0.20 0.00 0.38 0.00 0.00 0.00 179.25 179.20 3kgd h ASP 287 N 0.42 0.00 0.53 0.00 -0.00 -1.49 -2.88 116.42 113.01 3kgd h ASP 287 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.38 3kgd h ASP 287 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.80 3kgd h ASP 287 CO -0.35 0.00 -0.39 0.00 -0.00 0.00 0.00 179.24 178.50 3kgd n GLN 288 N -3.09 0.11 0.04 4.15 6.02 0.16 -3.49 117.38 121.29 3kgd n GLN 288 Ca 0.02 -0.06 0.12 0.00 -0.01 0.00 0.00 57.00 57.07 3kgd n GLN 288 Cb 0.38 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.39 0.64 0.12 1.08 4.77 -0.60 -4.47 117.00 117.15 3kgd n LEU 289 Ca 0.07 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 3kgd n LEU 289 Cb 0.33 -0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 3kgd n LEU 289 CO 0.33 0.02 0.79 0.58 -1.33 0.00 0.00 177.39 177.78 3kgd h VAL 290 N 0.00 0.84 0.07 4.08 2.07 -1.61 -1.43 116.25 120.27 3kgd h VAL 290 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3kgd h VAL 290 Cb 0.70 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3kgd h VAL 290 CO 0.00 0.02 -0.04 -0.07 0.02 0.00 0.00 177.57 177.50 3kgd h LEU 291 N -0.27 -0.08 -0.69 2.57 4.07 -1.81 -0.71 115.31 118.39 3kgd h LEU 291 Ca -0.02 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 57.72 3kgd h LEU 291 Cb 0.21 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 3kgd h LEU 291 CO 0.04 0.19 0.45 -0.65 -1.08 0.00 0.00 178.44 177.39 3kgd h PRO 292 N -0.36 0.88 -0.74 1.13 0.10 -1.78 0.53 132.00 131.76 3kgd h PRO 292 Ca -0.01 -0.05 -0.04 0.00 0.10 0.00 0.00 66.00 66.00 3kgd h PRO 292 Cb 0.31 -0.20 -0.03 0.00 0.10 0.00 0.00 31.00 31.18 3kgd h PRO 292 CO 0.02 0.58 0.30 0.52 0.10 0.00 0.00 178.00 179.53 3kgd h MET 293 N 0.91 1.11 -0.75 1.05 2.86 -1.23 -1.41 114.93 117.47 3kgd h MET 293 Ca 0.26 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3kgd h MET 293 Cb -0.07 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.37 3kgd h MET 293 CO -0.07 0.90 0.47 0.00 1.06 0.00 0.00 176.91 179.27 3kgd h ALA 294 N 1.15 0.95 0.00 6.32 0.00 -0.49 -0.67 119.26 126.53 3kgd h ALA 294 Ca 0.25 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kgd h ALA 294 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kgd h ALA 294 CO -0.02 0.40 -0.43 -0.07 0.00 0.00 0.00 179.25 179.13 3kgd h LEU 295 N 1.02 0.00 -0.62 0.00 3.38 -0.67 -1.39 115.31 117.03 3kgd h LEU 295 Ca 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3kgd h LEU 295 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kgd h LEU 295 CO -0.05 0.43 -0.23 0.00 0.09 0.00 0.00 178.44 178.67 3kgd h ALA 296 N 1.57 0.92 0.00 1.53 0.00 -0.65 -3.47 119.26 119.15 3kgd h ALA 296 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kgd h ALA 296 Cb 0.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3kgd h ALA 296 CO 0.06 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3kgd n GLY 297 N 0.62 0.78 3.50 0.00 0.00 -0.31 -4.91 105.19 104.88 3kgd n GLY 297 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.80 -1.80 0.00 4.61 0.00 -1.13 -4.94 121.76 115.71 3kgd s ALA 298 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3kgd s ALA 298 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3kgd s ALA 298 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3kgd n GLY 299 N 0.09 3.42 3.39 0.00 0.00 -1.26 -4.47 105.19 106.35 3kgd n GLY 299 Ca -0.12 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 1.14 0.21 1.61 -1.05 -0.63 -1.44 118.70 116.20 3kgd s GLU 300 Ca 0.00 -0.41 -0.15 0.00 -0.15 0.00 0.00 54.97 54.26 3kgd s GLU 300 Cb 0.00 0.52 0.01 0.00 -0.44 0.00 0.00 34.13 34.22 3kgd s GLU 300 CO 0.00 -0.45 0.48 -0.59 0.95 0.00 0.00 175.26 175.65 3kgd s PHE 301 N -3.19 0.08 0.11 4.83 -0.12 -0.41 -1.09 117.98 118.19 3kgd s PHE 301 Ca -0.01 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 3kgd s PHE 301 Cb -0.00 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 3kgd s PHE 301 CO -0.08 -0.92 0.01 0.95 -0.05 0.00 0.00 175.22 175.13 3kgd s THR 302 N -3.93 4.00 -0.08 -4.49 -4.23 -1.22 -0.13 115.64 105.56 3kgd s THR 302 Ca 0.14 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.47 3kgd s THR 302 Cb -0.00 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.93 3kgd s THR 302 CO 0.01 0.07 0.29 0.54 -0.54 0.00 0.00 174.62 174.98 3kgd s VAL 303 N -1.40 0.02 0.15 2.29 0.11 -0.00 -3.81 120.40 117.75 3kgd s VAL 303 Ca 0.26 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 3kgd s VAL 303 Cb -0.11 -0.47 -0.08 0.00 -1.53 0.00 0.00 36.38 34.19 3kgd s VAL 303 CO 0.19 -0.09 1.44 0.00 -3.33 0.00 0.00 175.10 173.30 3kgd h ALA 304 N 5.13 0.55 -3.09 1.54 0.00 -1.83 0.29 119.26 121.85 3kgd h ALA 304 Ca -0.27 -0.52 -0.47 0.00 0.00 0.00 0.00 54.91 53.65 3kgd h ALA 304 Cb 1.19 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 18.49 3kgd h ALA 304 CO 0.35 0.69 -0.75 -1.58 0.00 0.00 0.00 179.25 177.95 3kgd s HIS 305 N -4.06 0.33 0.09 0.00 5.65 -1.26 -4.57 115.29 111.47 3kgd s HIS 305 Ca -0.09 -0.40 -0.31 0.00 0.25 0.00 0.00 55.06 54.51 3kgd s HIS 305 Cb 0.11 -0.75 -0.08 0.00 -1.18 0.00 0.00 32.58 30.68 3kgd s HIS 305 CO 0.87 -0.53 1.58 -2.14 -0.65 0.00 0.00 174.74 173.88 3kgd s PRO 306 N 2.09 4.22 0.64 2.88 0.02 -1.26 -4.86 135.00 138.73 3kgd s PRO 306 Ca 0.02 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 3kgd s PRO 306 Cb -0.16 -3.46 0.06 0.00 0.02 0.00 0.00 34.50 30.96 3kgd s PRO 306 CO -0.09 -0.66 0.91 -1.54 -0.33 0.00 0.00 177.00 175.29 3kgd s SER 307 N 1.93 4.93 0.17 2.53 1.04 -1.26 -4.94 113.70 118.09 3kgd s SER 307 Ca 0.71 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 57.13 3kgd s SER 307 Cb -0.40 -0.84 0.13 0.00 0.10 0.00 0.00 66.02 65.01 3kgd s SER 307 CO 0.31 -1.45 1.74 0.00 0.98 0.00 0.00 173.24 174.82 3kgd h HIS 309 N 0.26 0.97 -0.22 0.00 3.86 -1.97 0.89 115.15 118.95 3kgd h HIS 309 Ca 0.21 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3kgd h HIS 309 Cb 0.24 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3kgd h HIS 309 CO -0.18 0.61 0.09 1.25 0.86 0.00 0.00 177.93 180.56 3kgd h LEU 310 N 1.05 0.30 -0.72 2.43 5.85 -1.76 -0.31 115.31 122.14 3kgd h LEU 310 Ca 0.28 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 3kgd h LEU 310 Cb -0.12 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3kgd h LEU 310 CO -0.06 0.38 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.82 3kgd h LEU 311 N 0.20 0.33 -0.08 2.25 3.38 -0.89 -1.48 115.31 119.01 3kgd h LEU 311 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3kgd h LEU 311 Cb 0.17 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kgd h LEU 311 CO -0.01 0.80 0.05 0.74 0.09 0.00 0.00 178.44 180.11 3kgd h THR 312 N 0.24 1.06 -0.82 0.22 2.02 -0.66 -1.61 112.91 113.35 3kgd h THR 312 Ca 0.01 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3kgd h THR 312 Cb 1.01 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 3kgd h THR 312 CO 0.09 0.05 0.37 0.78 0.37 0.00 0.00 175.52 177.18 3kgd h ASN 313 N 0.06 1.09 -0.27 4.18 2.35 -0.75 -1.02 115.58 121.22 3kgd h ASN 313 Ca 0.03 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3kgd h ASN 313 Cb 0.05 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3kgd h ASN 313 CO -0.01 0.93 0.11 0.40 -1.65 0.00 0.00 177.43 177.22 3kgd h ILE 314 N 1.18 0.95 -0.80 2.81 2.04 -1.20 -0.79 117.51 121.71 3kgd h ILE 314 Ca 0.28 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3kgd h ILE 314 Cb 0.15 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3kgd h ILE 314 CO -0.03 0.05 0.48 0.00 0.00 0.00 0.00 178.15 178.65 3kgd h ALA 315 N 1.16 1.02 -0.28 1.87 0.00 -0.79 -1.09 119.26 121.15 3kgd h ALA 315 Ca 0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3kgd h ALA 315 Cb 0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kgd h ALA 315 CO -0.10 0.48 -0.14 0.28 0.00 0.00 0.00 179.25 179.77 3kgd h VAL 316 N 1.09 1.30 -0.56 0.00 2.07 -0.98 -2.86 116.25 116.31 3kgd h VAL 316 Ca 0.29 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.64 3kgd h VAL 316 Cb -0.04 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3kgd h VAL 316 CO -0.05 0.39 0.24 0.58 0.02 0.00 0.00 177.57 178.75 3kgd h VAL 317 N 0.34 0.85 0.00 2.57 2.07 -0.89 -1.24 116.25 119.94 3kgd h VAL 317 Ca 0.06 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kgd h VAL 317 Cb 0.66 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3kgd h VAL 317 CO 0.04 0.08 0.00 -0.33 0.02 0.00 0.00 177.57 177.38 3kgd h GLU 318 N 0.44 0.00 0.01 1.57 5.08 -1.09 0.73 114.58 121.32 3kgd h GLU 318 Ca 0.27 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.43 3kgd h GLU 318 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3kgd h GLU 318 CO -0.24 0.00 -0.94 0.00 -1.00 0.00 0.00 179.01 176.83 3kgd h ARG 319 N 0.00 0.04 0.00 2.33 2.47 -1.00 -3.38 114.38 114.84 3kgd h ARG 319 Ca 0.00 -0.05 -0.18 0.00 -1.26 0.00 0.00 59.98 58.49 3kgd h ARG 319 Cb 0.28 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 3kgd h ARG 319 CO 0.00 0.95 -2.11 1.19 0.56 0.00 0.00 179.97 180.55 3kgd n PHE 320 N -3.47 0.10 -4.26 3.04 3.01 -0.57 -4.99 117.46 110.33 3kgd n PHE 320 Ca -0.01 0.03 -0.16 0.00 1.01 0.00 0.00 57.45 58.32 3kgd n PHE 320 Cb 0.88 -0.78 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 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 -5.08 2.47 0.00 4.37 1.43 0.14 -5.03 118.68 116.99 3kgd s LEU 321 Ca -0.08 -0.91 0.23 0.00 -1.03 0.00 0.00 54.13 52.34 3kgd s LEU 321 Cb 0.10 -0.48 1.04 0.00 0.03 0.00 0.00 46.19 46.87 3kgd s LEU 321 CO 0.86 -0.22 1.75 -2.65 0.23 0.00 0.00 176.35 176.33 3kgd n PRO 322 N 0.14 0.07 -1.95 1.29 -0.02 -1.26 -4.50 135.00 128.76 3kgd n PRO 322 Ca -0.12 0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 3kgd n PRO 322 Cb 0.59 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.59 3kgd n PRO 322 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kgd s VAL 323 N -2.91 2.44 -0.02 -1.45 -7.23 -1.26 -5.03 120.40 104.94 3kgd s VAL 323 Ca 0.14 0.35 0.05 0.00 -1.81 0.00 0.00 61.98 60.70 3kgd s VAL 323 Cb 0.15 -3.18 -0.01 0.00 0.56 0.00 0.00 36.38 33.90 3kgd s VAL 323 CO 0.41 0.01 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.93 3kgd s ARG 324 N -2.69 1.29 -0.08 4.82 1.81 -1.26 -4.59 118.95 118.26 3kgd s ARG 324 Ca 0.66 -0.55 -0.05 0.00 -1.72 0.00 0.00 55.73 54.07 3kgd s ARG 324 Cb -0.37 -1.23 -0.04 0.00 -0.45 0.00 0.00 34.95 32.85 3kgd s ARG 324 CO 0.45 0.32 0.14 -0.06 -0.68 0.00 0.00 175.30 175.47 3kgd s PHE 325 N -0.30 3.54 -0.10 -0.53 0.40 -1.26 -0.70 117.98 119.02 3kgd s PHE 325 Ca 0.05 0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 3kgd s PHE 325 Cb -0.07 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 3kgd s PHE 325 CO -0.00 0.68 -0.05 0.45 0.70 0.00 0.00 175.22 177.00 3kgd s SER 326 N -1.34 4.78 -0.14 1.36 0.15 0.72 -4.89 113.70 114.34 3kgd s SER 326 Ca 0.19 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.82 3kgd s SER 326 Cb -0.12 -1.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.77 3kgd s SER 326 CO 0.09 0.30 -0.17 -0.76 1.20 0.00 0.00 173.24 173.90 3kgd s LEU 327 N -0.41 1.83 -0.15 3.45 1.02 -1.26 -1.03 118.68 122.13 3kgd s LEU 327 Ca 0.06 -0.52 -0.00 0.00 0.02 0.00 0.00 54.13 53.70 3kgd s LEU 327 Cb -0.12 -1.25 0.03 0.00 0.02 0.00 0.00 46.19 44.87 3kgd s LEU 327 CO 0.02 -0.01 -0.09 -0.63 0.02 0.00 0.00 176.35 175.66 3kgd s ILE 328 N 1.25 1.27 -0.10 -0.59 1.01 -0.44 -4.96 121.20 118.65 3kgd s ILE 328 Ca 0.01 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 3kgd s ILE 328 Cb -0.14 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3kgd s ILE 328 CO -0.08 0.30 0.58 -0.70 0.00 0.00 0.00 174.94 175.04 3kgd s GLU 329 N 1.59 4.38 -0.14 2.79 -6.30 -1.26 -0.51 118.70 119.26 3kgd s GLU 329 Ca 0.03 0.64 -0.03 0.00 -2.50 0.00 0.00 54.97 53.11 3kgd s GLU 329 Cb -0.14 -3.44 0.05 0.00 0.00 0.00 0.00 34.13 30.60 3kgd s GLU 329 CO -0.09 0.11 0.05 0.99 0.02 0.00 0.00 175.26 176.35 3kgd s THR 330 N 0.71 0.18 -1.54 -1.70 2.01 0.28 -4.92 115.64 110.67 3kgd s THR 330 Ca 0.31 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.06 3kgd s THR 330 Cb -0.16 -0.63 0.09 0.00 0.01 0.00 0.00 72.50 71.81 3kgd s THR 330 CO 0.14 -0.08 0.95 0.47 -0.69 0.00 0.00 174.62 175.42 3kgd n ASP 331 N 5.19 -4.51 0.00 3.53 9.92 -1.26 -2.34 116.55 127.08 3kgd n ASP 331 Ca -0.07 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 53.39 3kgd n ASP 331 Cb 0.49 -3.80 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 3kgd n ASP 331 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kgd n GLY 332 N -1.67 0.64 3.26 0.44 0.00 -1.26 -5.05 105.19 101.54 3kgd n GLY 332 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.53 1.62 -0.21 1.61 1.01 -0.99 -4.68 120.40 116.22 3kgd s VAL 333 Ca 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 61.98 60.52 3kgd s VAL 333 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3kgd s VAL 333 CO 0.00 -0.00 0.00 -0.89 0.00 0.00 0.00 175.10 174.21 3kgd s THR 334 N -1.06 3.92 -0.24 3.92 2.01 0.09 -0.56 115.64 123.72 3kgd s THR 334 Ca 0.06 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 3kgd s THR 334 Cb -0.10 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.63 3kgd s THR 334 CO 0.03 0.41 0.86 -0.60 -0.69 0.00 0.00 174.62 174.64 3kgd s ARG 335 N 1.16 4.20 -0.28 4.92 3.52 0.34 -0.82 118.95 131.98 3kgd s ARG 335 Ca 0.03 1.01 -0.08 0.00 -0.13 0.00 0.00 55.73 56.56 3kgd s ARG 335 Cb -0.14 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 3kgd s ARG 335 CO 0.01 -0.52 0.10 0.08 -0.81 0.00 0.00 175.30 174.17 3kgd s VAL 336 N 2.85 4.36 0.02 7.11 1.01 0.81 -1.33 120.40 135.23 3kgd s VAL 336 Ca 0.36 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3kgd s VAL 336 Cb -0.15 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3kgd s VAL 336 CO 0.07 0.18 -0.03 -0.94 0.00 0.00 0.00 175.10 174.39 3kgd s SER 337 N 1.59 0.23 -0.02 3.32 1.04 -0.20 -1.28 113.70 118.39 3kgd s SER 337 Ca 0.05 -0.39 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 3kgd s SER 337 Cb -0.16 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 3kgd s SER 337 CO 0.04 -0.22 0.93 -0.63 0.98 0.00 0.00 173.24 174.34 3kgd s ILE 338 N -1.13 4.90 -2.00 -1.02 1.01 -0.52 -0.20 121.20 122.24 3kgd s ILE 338 Ca -0.12 1.95 0.14 0.00 0.00 0.00 0.00 60.65 62.63 3kgd s ILE 338 Cb -0.08 -4.27 0.41 0.00 0.01 0.00 0.00 42.46 38.53 3kgd s ILE 338 CO -0.01 0.17 1.28 -0.62 0.00 0.00 0.00 174.94 175.77