#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgd n LYS 3 N 0.00 3.35 -2.11 0.03 4.01 -1.26 -4.07 118.16 118.11 3kgd n LYS 3 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 3kgd n LYS 3 Cb 0.00 -0.54 -0.03 0.00 -0.51 0.00 0.00 35.03 33.95 3kgd n LYS 3 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 3kgd s ARG 4 N -0.90 4.32 0.02 1.97 3.03 -1.26 -4.73 118.95 121.40 3kgd s ARG 4 Ca 0.00 2.17 -0.30 0.00 2.03 0.00 0.00 55.73 59.63 3kgd s ARG 4 Cb 0.00 -3.17 -0.06 0.00 -1.03 0.00 0.00 34.95 30.69 3kgd s ARG 4 CO 0.00 -0.38 1.40 1.41 -1.13 0.00 0.00 175.30 176.60 3kgd s MET 5 N 0.20 4.29 -0.13 3.89 0.00 -1.26 -4.27 119.30 122.02 3kgd s MET 5 Ca 0.61 1.99 -0.16 0.00 0.00 0.00 0.00 55.69 58.13 3kgd s MET 5 Cb -0.39 -3.52 -0.05 0.00 0.00 0.00 0.00 34.83 30.87 3kgd s MET 5 CO 0.37 -0.55 0.38 0.42 0.00 0.00 0.00 175.02 175.64 3kgd s ILE 6 N 2.18 5.23 -0.24 10.11 1.01 -0.68 -4.97 121.20 133.85 3kgd s ILE 6 Ca 0.64 0.75 -0.06 0.00 0.00 0.00 0.00 60.65 61.98 3kgd s ILE 6 Cb -0.32 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 3kgd s ILE 6 CO 0.27 0.38 0.04 0.00 0.00 0.00 0.00 174.94 175.63 3kgd s ALA 7 N 0.39 3.09 0.11 9.38 0.00 -1.26 -0.65 121.76 132.82 3kgd s ALA 7 Ca 0.21 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 51.16 3kgd s ALA 7 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 3kgd s ALA 7 CO 0.08 -0.42 -0.21 -0.51 0.00 0.00 0.00 175.76 174.69 3kgd s LEU 8 N 1.49 2.54 -0.23 0.00 1.43 0.31 -4.97 118.68 119.25 3kgd s LEU 8 Ca 0.06 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.44 3kgd s LEU 8 Cb -0.15 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 3kgd s LEU 8 CO 0.02 0.19 0.14 -0.62 0.23 0.00 0.00 176.35 176.31 3kgd s ASP 9 N -2.03 5.99 -0.15 2.29 2.15 -1.26 -2.11 116.67 121.55 3kgd s ASP 9 Ca 0.16 0.09 0.16 0.00 0.43 0.00 0.00 52.55 53.39 3kgd s ASP 9 Cb -0.10 -2.07 0.61 0.00 -0.30 0.00 0.00 42.92 41.06 3kgd s ASP 9 CO 0.08 0.08 1.53 0.61 -0.17 0.00 0.00 175.17 177.30 3kgd n GLY 10 N 4.17 3.31 0.07 2.66 0.00 0.26 -4.53 105.19 111.13 3kgd n GLY 10 Ca -0.15 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 0.30 2.95 2.00 4.61 0.00 -0.96 -1.88 120.51 127.53 3kgd n ALA 11 Ca 0.23 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3kgd n ALA 11 Cb 0.89 -0.30 0.77 0.00 0.00 0.00 0.00 19.45 20.81 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 -0.86 1.00 0.00 0.00 6.02 -1.26 -4.87 117.38 117.41 3kgd n GLN 12 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3kgd n GLN 12 Cb 0.15 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 0.90 3.39 2.47 1.08 0.00 -1.26 -5.02 105.19 106.75 3kgd n GLY 13 Ca 0.19 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.02 -1.20 0.25 1.61 -0.58 -1.26 -4.87 120.64 113.57 3kgd n GLU 14 Ca 0.00 1.06 0.14 0.00 -0.42 0.00 0.00 57.16 57.94 3kgd n GLU 14 Cb 0.00 -5.31 0.48 0.00 -0.57 0.00 0.00 31.44 26.05 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 -0.81 0.62 0.00 -1.89 -1.52 103.07 99.47 3kgd h GLY 15 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kgd h GLY 15 CO 0.50 0.00 -0.45 0.61 0.00 0.00 0.00 176.54 177.21 3kgd n GLY 16 N 0.37 -0.05 0.00 4.60 0.00 -1.26 -4.13 105.19 104.71 3kgd n GLY 16 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.31 1.08 0.33 -0.02 0.00 -0.85 -4.69 105.19 102.34 3kgd n GLY 17 Ca 0.08 0.00 -0.04 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 1.03 -0.29 1.61 5.75 -1.91 0.32 115.11 121.62 3kgd h GLN 18 Ca 0.00 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.28 3kgd h GLN 18 Cb 0.00 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 3kgd h GLN 18 CO 0.00 0.85 0.03 0.82 -2.65 0.00 0.00 178.83 177.87 3kgd h ILE 19 N 1.01 1.24 -0.38 2.39 2.04 -1.62 -2.04 117.51 120.15 3kgd h ILE 19 Ca 0.23 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 3kgd h ILE 19 Cb 0.21 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3kgd h ILE 19 CO -0.02 0.28 0.14 0.25 0.00 0.00 0.00 178.15 178.79 3kgd h LEU 20 N 0.29 0.54 -0.10 1.44 5.85 -1.47 0.59 115.31 122.45 3kgd h LEU 20 Ca 0.08 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3kgd h LEU 20 Cb 0.38 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3kgd h LEU 20 CO 0.01 0.58 0.07 0.03 -0.34 0.00 0.00 178.44 178.79 3kgd h ARG 21 N 0.47 0.14 -0.64 1.25 3.08 -0.91 -0.04 114.38 117.73 3kgd h ARG 21 Ca 0.12 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 3kgd h ARG 21 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3kgd h ARG 21 CO -0.01 0.09 0.21 0.77 -1.07 0.00 0.00 179.97 179.97 3kgd h SER 22 N 0.14 0.93 -0.64 7.04 0.02 -1.28 -2.73 113.55 117.02 3kgd h SER 22 Ca 0.04 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3kgd h SER 22 Cb -0.01 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3kgd h SER 22 CO -0.01 0.88 0.24 0.00 -1.14 0.00 0.00 176.83 176.80 3kgd h ALA 23 N 1.08 0.83 -0.45 3.77 0.00 -0.67 -1.06 119.26 122.76 3kgd h ALA 23 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kgd h ALA 23 Cb 0.28 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kgd h ALA 23 CO -0.01 0.47 0.25 -0.07 0.00 0.00 0.00 179.25 179.89 3kgd h LEU 24 N 0.91 0.39 0.00 0.00 3.38 -0.92 0.21 115.31 119.28 3kgd h LEU 24 Ca 0.21 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kgd h LEU 24 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kgd h LEU 24 CO -0.01 0.28 -0.00 0.28 0.09 0.00 0.00 178.44 179.07 3kgd h SER 25 N 0.51 -0.00 0.19 -0.43 0.02 -1.26 -1.64 113.55 110.94 3kgd h SER 25 Ca 0.19 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 3kgd h SER 25 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3kgd h SER 25 CO -0.10 0.09 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.23 3kgd h LEU 26 N -0.10 0.27 -0.21 5.07 3.38 -1.02 -0.26 115.31 122.44 3kgd h LEU 26 Ca -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3kgd h LEU 26 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kgd h LEU 26 CO 0.00 0.62 0.03 -1.28 0.09 0.00 0.00 178.44 177.91 3kgd h SER 27 N 0.22 0.33 -0.75 -0.43 0.87 -0.48 -1.51 113.55 111.80 3kgd h SER 27 Ca 0.02 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 3kgd h SER 27 Cb 0.76 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3kgd h SER 27 CO 0.06 0.51 0.33 0.24 -0.53 0.00 0.00 176.83 177.44 3kgd h MET 28 N 0.14 1.11 -0.29 2.24 2.86 -0.87 0.25 114.93 120.37 3kgd h MET 28 Ca 0.06 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 3kgd h MET 28 Cb 0.32 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kgd h MET 28 CO 0.00 0.88 -0.19 0.82 1.06 0.00 0.00 176.91 179.49 3kgd h ILE 29 N 1.10 1.30 0.00 -1.22 2.04 -0.96 -3.32 117.51 116.45 3kgd h ILE 29 Ca 0.26 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3kgd h ILE 29 Cb 0.17 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3kgd h ILE 29 CO -0.03 0.42 -1.24 0.35 0.00 0.00 0.00 178.15 177.65 3kgd n THR 30 N -4.37 0.28 -0.79 -0.27 -2.24 -0.58 -4.96 114.28 101.35 3kgd n THR 30 Ca -0.04 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3kgd n THR 30 Cb 0.41 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.28 0.73 3.65 3.38 0.00 0.86 -4.45 105.19 110.65 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 -0.21 4.19 0.68 1.61 -0.21 -1.18 -4.68 119.66 119.87 3kgd s GLN 32 Ca 0.00 0.57 -0.14 0.00 0.02 0.00 0.00 55.36 55.81 3kgd s GLN 32 Cb 0.00 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.44 3kgd s GLN 32 CO 0.00 -0.25 1.10 -1.25 -2.12 0.00 0.00 175.29 172.77 3kgd s PRO 33 N 1.95 2.69 0.08 2.91 0.04 -1.26 -4.53 135.00 136.88 3kgd s PRO 33 Ca 0.28 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 3kgd s PRO 33 Cb -0.16 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3kgd s PRO 33 CO 0.10 -1.32 0.03 -0.59 0.04 0.00 0.00 177.00 175.26 3kgd s PHE 34 N -2.50 0.58 -0.04 0.56 -0.71 -0.74 -1.69 117.98 113.44 3kgd s PHE 34 Ca 0.65 -1.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.52 3kgd s PHE 34 Cb -0.19 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.25 3kgd s PHE 34 CO 0.45 -0.45 -0.14 0.99 -1.34 0.00 0.00 175.22 174.73 3kgd s THR 35 N -3.95 1.19 -0.13 -4.49 2.01 0.18 -1.24 115.64 109.21 3kgd s THR 35 Ca 0.12 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.55 3kgd s THR 35 Cb 0.07 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 3kgd s THR 35 CO -0.06 0.35 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.45 3kgd s ILE 36 N 0.16 2.93 0.33 1.82 1.01 0.27 -0.53 121.20 127.19 3kgd s ILE 36 Ca -0.05 -0.70 0.10 0.00 0.00 0.00 0.00 60.65 60.00 3kgd s ILE 36 Cb -0.11 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3kgd s ILE 36 CO 0.02 0.52 -0.07 0.42 0.00 0.00 0.00 174.94 175.83 3kgd s THR 37 N 0.44 2.47 -1.50 2.92 -4.23 -0.90 -0.88 115.64 113.97 3kgd s THR 37 Ca -0.10 -2.15 -0.06 0.00 -1.18 0.00 0.00 61.69 58.19 3kgd s THR 37 Cb -0.16 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.05 3kgd s THR 37 CO 0.05 -0.24 0.73 -1.20 -0.54 0.00 0.00 174.62 173.42 3kgd n SER 38 N -0.82 -5.89 -4.63 3.99 7.64 0.04 0.92 113.62 114.87 3kgd n SER 38 Ca -0.05 -0.37 -0.43 0.00 1.01 0.00 0.00 58.87 59.03 3kgd n SER 38 Cb 0.62 -4.74 -0.03 0.00 -1.01 0.00 0.00 64.21 59.05 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 3.16 -1.48 0.44 1.01 -0.28 -2.27 121.20 118.59 3kgd s ILE 39 Ca 0.39 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 3kgd s ILE 39 Cb -0.18 -3.16 0.06 0.00 0.01 0.00 0.00 42.46 39.19 3kgd s ILE 39 CO 0.48 -0.07 0.94 0.54 0.00 0.00 0.00 174.94 176.83 3kgd n ARG 40 N 8.12 -5.78 0.27 2.79 1.74 -0.79 -1.87 116.66 121.15 3kgd n ARG 40 Ca 0.24 0.67 0.13 0.00 -0.77 0.00 0.00 57.85 58.12 3kgd n ARG 40 Cb 0.44 -5.58 0.78 0.00 -1.02 0.00 0.00 32.46 27.08 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 0.98 1.35 -0.50 7.54 0.00 -1.77 -2.69 119.26 124.19 3kgd h ALA 41 Ca -0.56 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3kgd h ALA 41 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kgd h ALA 41 CO 0.63 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.39 3kgd n GLY 42 N -0.87 3.20 3.85 0.00 0.00 -1.26 -4.93 105.19 105.18 3kgd n GLY 42 Ca -0.02 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.41 3.25 0.32 1.61 1.81 -1.02 -5.01 118.95 117.49 3kgd s ARG 43 Ca 0.48 -0.44 0.04 0.00 -1.72 0.00 0.00 55.73 54.10 3kgd s ARG 43 Cb 0.35 -2.97 0.66 0.00 -0.45 0.00 0.00 34.95 32.55 3kgd s ARG 43 CO 0.16 0.64 1.86 0.00 -0.68 0.00 0.00 175.30 177.29 3kgd h ALA 44 N 3.72 1.65 -3.05 2.13 0.00 -1.93 -2.80 119.26 118.99 3kgd h ALA 44 Ca -0.48 0.01 -0.71 0.00 0.00 0.00 0.00 54.91 53.74 3kgd h ALA 44 Cb 1.18 -0.18 -0.33 0.00 0.00 0.00 0.00 17.79 18.45 3kgd h ALA 44 CO 0.68 0.12 -0.38 0.15 0.00 0.00 0.00 179.25 179.81 3kgd s LYS 45 N -5.83 2.48 0.68 0.00 1.02 -1.26 -5.10 119.74 111.74 3kgd s LYS 45 Ca -0.11 -2.22 -0.04 0.00 0.02 0.00 0.00 55.97 53.63 3kgd s LYS 45 Cb 0.22 -3.78 0.08 0.00 -0.52 0.00 0.00 37.83 33.83 3kgd s LYS 45 CO 0.80 -1.16 0.96 -1.25 -0.92 0.00 0.00 175.35 173.78 3kgd s PRO 46 N 0.50 2.04 2.18 -1.68 0.04 -1.06 -4.96 135.00 132.06 3kgd s PRO 46 Ca 0.13 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.53 3kgd s PRO 46 Cb -0.21 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3kgd s PRO 46 CO -0.04 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3kgd n GLY 47 N -2.80 -1.10 3.70 0.56 0.00 -0.78 -4.30 105.19 100.46 3kgd n GLY 47 Ca 0.10 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 4.33 0.58 0.99 1.43 -0.05 -4.72 118.68 121.24 3kgd s LEU 48 Ca 0.00 1.86 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 3kgd s LEU 48 Cb 0.00 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.73 3kgd s LEU 48 CO 0.00 -0.46 0.80 -0.76 0.23 0.00 0.00 176.35 176.16 3kgd s LEU 49 N 1.46 3.20 0.26 1.79 1.43 -1.26 -0.75 118.68 124.80 3kgd s LEU 49 Ca 0.56 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3kgd s LEU 49 Cb -0.26 -2.09 0.31 0.00 0.03 0.00 0.00 46.19 44.18 3kgd s LEU 49 CO 0.26 -1.35 1.92 0.08 0.23 0.00 0.00 176.35 177.49 3kgd h ARG 50 N 0.06 1.27 -0.21 1.70 0.11 -1.97 -1.36 114.38 113.98 3kgd h ARG 50 Ca -0.35 -0.08 -0.11 0.00 0.10 0.00 0.00 59.98 59.54 3kgd h ARG 50 Cb 1.28 -0.29 -0.01 0.00 1.11 0.00 0.00 29.97 32.06 3kgd h ARG 50 CO 0.43 0.84 -0.35 -0.56 0.10 0.00 0.00 179.97 180.43 3kgd h GLN 51 N 1.31 0.46 -0.72 0.08 -0.00 -1.88 -2.15 115.11 112.21 3kgd h GLN 51 Ca 0.39 -0.21 -0.06 0.00 -0.00 0.00 0.00 58.65 58.77 3kgd h GLN 51 Cb -0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.48 27.39 3kgd h GLN 51 CO -0.11 0.75 0.22 0.45 -0.00 0.00 0.00 178.83 180.14 3kgd h HIS 52 N 0.39 1.15 -0.02 0.06 3.86 -1.56 -2.96 115.15 116.07 3kgd h HIS 52 Ca 0.04 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 3kgd h HIS 52 Cb 0.80 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3kgd h HIS 52 CO 0.03 0.92 -0.36 -0.07 0.86 0.00 0.00 177.93 179.31 3kgd h LEU 53 N 1.07 0.05 -0.47 2.43 3.38 -0.89 -2.67 115.31 118.19 3kgd h LEU 53 Ca 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3kgd h LEU 53 Cb 0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kgd h LEU 53 CO -0.01 0.40 0.27 0.74 0.09 0.00 0.00 178.44 179.94 3kgd h THR 54 N 0.04 1.16 -0.52 0.22 2.02 -1.23 0.11 112.91 114.72 3kgd h THR 54 Ca 0.00 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.82 3kgd h THR 54 Cb 0.65 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3kgd h THR 54 CO 0.05 0.16 0.32 0.00 0.37 0.00 0.00 175.52 176.42 3kgd h ALA 55 N 1.12 0.66 -0.70 6.16 0.00 -1.51 -0.21 119.26 124.78 3kgd h ALA 55 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kgd h ALA 55 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kgd h ALA 55 CO -0.03 0.04 0.46 0.28 0.00 0.00 0.00 179.25 180.00 3kgd h VAL 56 N 0.64 1.18 -0.23 0.00 2.07 -1.15 -0.99 116.25 117.76 3kgd h VAL 56 Ca 0.20 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 3kgd h VAL 56 Cb -0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3kgd h VAL 56 CO -0.08 0.17 -0.42 0.11 0.02 0.00 0.00 177.57 177.37 3kgd h LYS 57 N 0.94 0.56 -0.29 1.57 1.79 -0.48 -1.51 116.57 119.15 3kgd h LYS 57 Ca 0.26 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 3kgd h LYS 57 Cb -0.11 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3kgd h LYS 57 CO -0.06 0.88 0.01 0.00 -1.08 0.00 0.00 179.45 179.20 3kgd h ALA 58 N 1.08 0.39 -0.53 3.86 0.00 -0.69 -1.08 119.26 122.30 3kgd h ALA 58 Ca 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kgd h ALA 58 Cb 0.92 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3kgd h ALA 58 CO 0.08 0.13 0.32 0.00 0.00 0.00 0.00 179.25 179.78 3kgd h ALA 59 N 0.84 0.68 -0.73 0.00 0.00 -1.11 -2.25 119.26 116.70 3kgd h ALA 59 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kgd h ALA 59 Cb 0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3kgd h ALA 59 CO 0.01 0.04 0.46 1.15 0.00 0.00 0.00 179.25 180.91 3kgd h THR 60 N 0.65 1.20 -0.71 0.00 2.02 -0.96 -2.14 112.91 112.97 3kgd h THR 60 Ca 0.21 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 3kgd h THR 60 Cb 0.01 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3kgd h THR 60 CO -0.09 0.21 0.38 -0.08 0.37 0.00 0.00 175.52 176.31 3kgd h GLU 61 N 1.00 1.00 0.00 6.66 4.81 -0.87 0.79 114.58 127.97 3kgd h GLU 61 Ca 0.26 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3kgd h GLU 61 Cb -0.06 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 3kgd h GLU 61 CO -0.05 0.76 -0.16 -0.84 -0.73 0.00 0.00 179.01 177.98 3kgd h ILE 62 N 0.98 0.30 0.00 2.32 3.07 -0.81 -3.30 117.51 120.07 3kgd h ILE 62 Ca 0.25 -1.30 0.00 0.00 1.55 0.00 0.00 64.86 65.36 3kgd h ILE 62 Cb 0.05 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 3kgd h ILE 62 CO -0.04 0.16 -0.01 0.00 -1.05 0.00 0.00 178.15 177.21 3kgd n GLY 64 N -0.59 -0.37 3.79 0.00 0.00 0.23 -1.54 105.19 106.71 3kgd n GLY 64 Ca 0.03 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.52 2.66 -0.19 4.61 0.00 -0.97 -4.09 121.76 120.27 3kgd s ALA 65 Ca 0.24 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.56 3kgd s ALA 65 Cb -0.12 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3kgd s ALA 65 CO 0.81 -0.94 0.14 0.99 0.00 0.00 0.00 175.76 176.77 3kgd s THR 66 N -2.38 5.41 0.06 0.00 2.01 -0.20 -4.95 115.64 115.59 3kgd s THR 66 Ca 0.65 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.92 3kgd s THR 66 Cb -0.18 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3kgd s THR 66 CO 0.37 0.46 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.95 3kgd s VAL 67 N 0.18 0.98 -0.03 3.82 1.01 -1.26 -0.46 120.40 124.63 3kgd s VAL 67 Ca 0.10 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.96 3kgd s VAL 67 Cb -0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3kgd s VAL 67 CO -0.01 -0.19 -0.16 -1.61 0.00 0.00 0.00 175.10 173.13 3kgd s GLU 68 N -1.52 1.56 0.00 2.72 2.02 0.03 -4.84 118.70 118.67 3kgd s GLU 68 Ca -0.03 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3kgd s GLU 68 Cb -0.09 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.74 3kgd s GLU 68 CO 0.02 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3kgd n GLY 69 N 3.02 0.59 2.69 -1.39 0.00 -1.26 -0.73 105.19 108.12 3kgd n GLY 69 Ca -0.17 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 0.27 5.94 -2.49 4.61 0.00 -1.26 -4.65 120.51 122.93 3kgd n ALA 70 Ca 0.00 -4.08 -0.13 0.00 0.00 0.00 0.00 53.44 49.23 3kgd n ALA 70 Cb 0.00 -3.13 -0.11 0.00 0.00 0.00 0.00 19.45 16.21 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 1.01 0.77 0.23 0.00 8.01 -1.26 -5.09 118.70 122.37 3kgd s GLU 71 Ca 0.48 -1.11 -0.32 0.00 0.01 0.00 0.00 54.97 54.03 3kgd s GLU 71 Cb 0.13 -0.40 -0.12 0.00 -4.31 0.00 0.00 34.13 29.43 3kgd s GLU 71 CO -0.04 0.05 1.62 1.28 0.01 0.00 0.00 175.26 178.17 3kgd n LEU 72 N 0.62 3.82 0.00 1.80 4.77 -1.26 -1.63 117.00 125.12 3kgd n LEU 72 Ca -0.17 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3kgd n LEU 72 Cb 0.58 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 3kgd n LEU 72 CO 0.26 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3kgd n GLY 73 N 3.06 1.43 3.75 -0.72 0.00 0.07 -4.90 105.19 107.88 3kgd n GLY 73 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.14 6.86 0.00 1.61 0.15 -0.65 -4.33 113.70 114.20 3kgd s SER 74 Ca 0.00 2.52 0.21 0.00 0.70 0.00 0.00 55.95 59.39 3kgd s SER 74 Cb 0.00 -2.63 0.38 0.00 -1.71 0.00 0.00 66.02 62.06 3kgd s SER 74 CO 0.00 -0.51 1.34 0.00 1.20 0.00 0.00 173.24 175.28 3kgd n GLN 75 N 1.77 2.39 -3.89 5.44 6.02 -1.26 -0.88 117.38 126.97 3kgd n GLN 75 Ca 0.03 -2.18 -0.17 0.00 -0.01 0.00 0.00 57.00 54.67 3kgd n GLN 75 Cb 0.42 -1.47 -0.16 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.43 0.23 -0.06 -1.09 3.52 -1.26 -0.78 118.95 118.08 3kgd s ARG 76 Ca 0.35 0.10 0.02 0.00 -0.13 0.00 0.00 55.73 56.08 3kgd s ARG 76 Cb 0.21 -0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.18 3kgd s ARG 76 CO 0.29 -0.14 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.35 3kgd s LEU 77 N 1.03 1.66 -0.14 -0.88 2.96 -0.06 -4.32 118.68 118.94 3kgd s LEU 77 Ca -0.10 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 3kgd s LEU 77 Cb -0.13 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 3kgd s LEU 77 CO -0.02 0.04 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.68 3kgd s LEU 78 N 0.58 2.53 -0.12 -0.68 0.20 0.10 -0.56 118.68 120.72 3kgd s LEU 78 Ca -0.12 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.27 3kgd s LEU 78 Cb -0.15 -1.57 0.03 0.00 -0.43 0.00 0.00 46.19 44.07 3kgd s LEU 78 CO 0.03 0.12 -0.09 0.12 -0.29 0.00 0.00 176.35 176.24 3kgd s PHE 79 N 0.63 1.65 -0.34 5.38 5.36 -0.37 -0.79 117.98 129.51 3kgd s PHE 79 Ca -0.08 -0.87 0.00 0.00 -0.96 0.00 0.00 56.93 55.03 3kgd s PHE 79 Cb -0.16 -1.32 0.08 0.00 -0.34 0.00 0.00 43.02 41.29 3kgd s PHE 79 CO 0.03 -0.55 0.05 0.50 -1.46 0.00 0.00 175.22 173.78 3kgd s ARG 80 N 1.66 2.01 0.52 10.12 6.06 0.39 -1.78 118.95 137.91 3kgd s ARG 80 Ca 0.05 -1.61 -0.18 0.00 -2.50 0.00 0.00 55.73 51.49 3kgd s ARG 80 Cb -0.13 -3.25 -0.07 0.00 0.06 0.00 0.00 34.95 31.56 3kgd s ARG 80 CO -0.09 -0.83 1.02 -1.25 -2.50 0.00 0.00 175.30 171.65 3kgd s PRO 81 N 1.10 3.74 0.00 5.12 0.04 -1.26 -1.03 135.00 142.70 3kgd s PRO 81 Ca 0.03 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.25 3kgd s PRO 81 Cb -0.20 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3kgd s PRO 81 CO -0.05 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.94 3kgd n GLY 82 N -0.84 3.36 3.72 0.56 0.00 -0.59 -4.89 105.19 106.52 3kgd n GLY 82 Ca 0.08 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 2.19 4.11 -0.17 2.61 2.01 -1.16 -4.84 115.64 120.38 3kgd s THR 83 Ca 0.00 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 3kgd s THR 83 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 3kgd s THR 83 CO 0.00 0.17 1.35 -0.69 -0.69 0.00 0.00 174.62 174.76 3kgd s VAL 84 N 0.67 4.12 -0.20 3.82 1.01 -1.26 -4.30 120.40 124.25 3kgd s VAL 84 Ca 0.55 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 3kgd s VAL 84 Cb -0.28 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3kgd s VAL 84 CO 0.31 -0.18 0.16 -0.13 0.00 0.00 0.00 175.10 175.25 3kgd s ARG 85 N 3.76 4.18 0.75 2.72 0.52 -0.17 -3.67 118.95 127.03 3kgd s ARG 85 Ca 0.59 -0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 55.51 3kgd s ARG 85 Cb -0.23 -3.44 0.04 0.00 0.52 0.00 0.00 34.95 31.85 3kgd s ARG 85 CO 0.19 0.26 1.08 0.20 0.02 0.00 0.00 175.30 177.05 3kgd s GLY 86 N 0.47 1.67 0.00 -3.53 0.00 -1.26 -4.91 107.32 99.76 3kgd s GLY 86 Ca 0.09 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.99 3kgd s GLY 86 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 173.10 174.22 3kgd n GLY 87 N -1.52 0.09 3.51 0.20 0.00 -1.08 -4.94 105.19 101.45 3kgd n GLY 87 Ca 0.08 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 5.04 0.01 1.61 -0.00 -1.26 -1.13 116.67 116.94 3kgd s ASP 88 Ca 0.00 -0.10 0.05 0.00 -0.00 0.00 0.00 52.55 52.50 3kgd s ASP 88 Cb 0.00 -1.85 -0.02 0.00 -0.00 0.00 0.00 42.92 41.05 3kgd s ASP 88 CO 0.00 0.12 -0.16 -0.31 -0.00 0.00 0.00 175.17 174.83 3kgd s TYR 89 N 0.65 1.40 -0.09 4.23 2.02 0.53 -4.96 117.35 121.13 3kgd s TYR 89 Ca 0.00 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3kgd s TYR 89 Cb -0.14 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3kgd s TYR 89 CO 0.02 0.01 -0.10 1.03 -1.57 0.00 0.00 175.55 174.94 3kgd s ARG 90 N -0.72 1.66 0.15 -0.62 0.52 -1.26 -1.01 118.95 117.67 3kgd s ARG 90 Ca 0.05 -0.35 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 3kgd s ARG 90 Cb -0.07 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 3kgd s ARG 90 CO 0.00 -0.11 -0.15 -0.06 0.02 0.00 0.00 175.30 175.00 3kgd s PHE 91 N 1.16 1.54 -0.14 -0.53 0.08 0.11 -4.99 117.98 115.21 3kgd s PHE 91 Ca -0.05 -0.56 -0.03 0.00 0.12 0.00 0.00 56.93 56.41 3kgd s PHE 91 Cb -0.14 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.58 3kgd s PHE 91 CO -0.02 0.22 0.04 0.00 -0.10 0.00 0.00 175.22 175.36 3kgd s ALA 92 N -2.43 0.69 -0.26 5.36 0.00 -1.26 -1.17 121.76 122.68 3kgd s ALA 92 Ca 0.14 -0.35 0.18 0.00 0.00 0.00 0.00 51.96 51.93 3kgd s ALA 92 Cb -0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 23.12 21.85 3kgd s ALA 92 CO 0.04 -0.92 0.51 1.51 0.00 0.00 0.00 175.76 176.90 3kgd n ILE 93 N 5.16 0.00 -4.71 0.00 3.06 0.25 -4.96 119.36 118.16 3kgd n ILE 93 Ca -0.07 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 3kgd n ILE 93 Cb 0.49 0.34 0.00 0.00 0.54 0.00 0.00 39.64 41.01 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 1.44 -0.74 0.30 4.50 0.00 -1.20 -3.91 105.19 105.58 3kgd n GLY 94 Ca -0.01 -1.07 0.19 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 0.00 0.59 1.61 4.64 -1.87 -2.79 113.55 115.73 3kgd h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kgd h SER 95 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kgd h SER 95 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3kgd h ALA 96 N 2.00 1.00 -2.66 5.18 0.00 -1.88 -3.44 119.26 119.46 3kgd h ALA 96 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kgd h ALA 96 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3kgd h ALA 96 CO 0.00 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.65 3kgd n GLY 97 N -0.41 2.95 3.29 0.00 0.00 -1.12 -4.71 105.19 105.19 3kgd n GLY 97 Ca -0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.21 3.91 0.24 1.61 0.15 -1.26 -2.27 113.70 114.87 3kgd s SER 98 Ca 0.03 -0.42 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 3kgd s SER 98 Cb -0.00 -1.63 0.41 0.00 -1.71 0.00 0.00 66.02 63.09 3kgd s SER 98 CO 0.02 0.06 1.63 0.00 1.20 0.00 0.00 173.24 176.15 3kgd h THR 100 N 0.07 0.35 0.00 0.00 1.35 -1.84 -2.05 112.91 110.78 3kgd h THR 100 Ca 0.40 -1.03 -0.16 0.00 -0.55 0.00 0.00 66.41 65.08 3kgd h THR 100 Cb 0.70 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.88 3kgd h THR 100 CO -0.70 0.15 -0.76 -0.07 -0.25 0.00 0.00 175.52 173.89 3kgd h LEU 101 N 0.00 0.00 -0.49 3.87 3.38 -1.73 0.18 115.31 120.53 3kgd h LEU 101 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3kgd h LEU 101 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3kgd h LEU 101 CO 0.02 0.76 0.07 0.58 0.09 0.00 0.00 178.44 179.96 3kgd h VAL 102 N 0.00 1.25 -0.69 1.22 2.07 -1.29 -2.54 116.25 116.28 3kgd h VAL 102 Ca -0.01 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 3kgd h VAL 102 Cb 1.35 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3kgd h VAL 102 CO 0.10 0.33 0.30 -0.07 0.02 0.00 0.00 177.57 178.25 3kgd h LEU 103 N 0.68 0.93 -1.58 2.57 3.38 -1.21 -2.28 115.31 117.80 3kgd h LEU 103 Ca 0.15 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.14 3kgd h LEU 103 Cb 0.41 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3kgd h LEU 103 CO 0.01 0.82 0.54 -0.61 0.09 0.00 0.00 178.44 179.30 3kgd h GLN 104 N 0.97 0.37 0.02 1.13 4.15 -0.48 -1.01 115.11 120.26 3kgd h GLN 104 Ca 0.23 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 3kgd h GLN 104 Cb 0.17 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.78 3kgd h GLN 104 CO -0.02 0.25 -0.25 1.15 -1.93 0.00 0.00 178.83 178.02 3kgd h THR 105 N 0.38 1.60 0.00 2.39 2.02 -1.00 -3.39 112.91 114.91 3kgd h THR 105 Ca 0.41 -2.09 -0.28 0.00 0.77 0.00 0.00 66.41 65.22 3kgd h THR 105 Cb 1.02 2.95 -0.05 0.00 -1.74 0.00 0.00 68.15 70.33 3kgd h THR 105 CO -0.13 0.57 -1.75 1.33 0.37 0.00 0.00 175.52 175.90 3kgd n VAL 106 N -4.50 1.50 -0.27 3.16 0.24 -0.91 -4.21 118.33 113.35 3kgd n VAL 106 Ca -0.10 -0.78 -0.05 0.00 -2.04 0.00 0.00 64.34 61.36 3kgd n VAL 106 Cb 0.53 -0.91 0.06 0.00 -1.47 0.00 0.00 33.84 32.05 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 0.93 -1.05 1.34 3.38 -1.39 -2.45 115.31 116.08 3kgd h LEU 107 Ca -0.30 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 57.66 3kgd h LEU 107 Cb 1.97 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.41 3kgd h LEU 107 CO 0.07 0.76 0.63 -0.65 0.09 0.00 0.00 178.44 179.34 3kgd h PRO 108 N 1.03 1.04 -0.79 1.13 0.11 -1.78 -0.14 132.00 132.61 3kgd h PRO 108 Ca 0.26 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3kgd h PRO 108 Cb 0.03 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.87 3kgd h PRO 108 CO -0.04 0.69 0.47 0.00 -0.21 0.00 0.00 178.00 178.91 3kgd h ALA 109 N 1.50 1.00 0.00 -0.75 0.00 -1.70 -2.60 119.26 116.70 3kgd h ALA 109 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kgd h ALA 109 Cb 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kgd h ALA 109 CO -0.20 0.47 0.00 -0.07 0.00 0.00 0.00 179.25 179.46 3kgd h LEU 110 N 1.08 0.00 -1.79 0.00 3.38 -0.60 -0.34 115.31 117.03 3kgd h LEU 110 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3kgd h LEU 110 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kgd h LEU 110 CO -0.05 0.00 0.00 -0.50 0.09 0.00 0.00 178.44 177.98 3kgd h TRP 111 N 0.00 0.00 0.00 1.13 6.55 -0.90 -2.56 115.95 120.17 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 0.33 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.63 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 -2.49 0.00 -1.31 0.49 3.01 -0.14 -0.70 117.46 116.32 3kgd n PHE 112 Ca -0.02 -0.94 -0.31 0.00 1.01 0.00 0.00 57.45 57.19 3kgd n PHE 112 Cb 0.06 -0.14 0.09 0.00 -0.01 0.00 0.00 39.48 39.49 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 -2.67 2.20 -1.86 4.37 0.00 -0.96 -4.86 121.76 117.99 3kgd s ALA 113 Ca 0.28 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3kgd s ALA 113 Cb 0.25 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3kgd s ALA 113 CO 0.03 -1.78 0.73 -0.40 0.00 0.00 0.00 175.76 174.34 3kgd n ASP 114 N -3.52 0.11 0.00 0.00 5.68 -1.24 -4.78 116.55 112.80 3kgd n ASP 114 Ca 0.08 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 3kgd n ASP 114 Cb 0.54 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.26 -0.66 3.85 6.12 0.00 -1.26 -4.90 105.19 108.61 3kgd n GLY 115 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3kgd n GLY 115 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgd s PRO 116 N -2.00 3.68 0.05 1.61 0.02 -1.26 -4.42 135.00 132.67 3kgd s PRO 116 Ca 0.00 0.87 -0.01 0.00 0.02 0.00 0.00 61.00 61.88 3kgd s PRO 116 Cb 0.00 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 3kgd s PRO 116 CO 0.00 -0.50 -0.03 -1.12 -0.33 0.00 0.00 177.00 175.02 3kgd s SER 117 N -3.63 0.49 -0.03 2.53 0.01 -0.39 -2.63 113.70 110.05 3kgd s SER 117 Ca 0.57 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.86 3kgd s SER 117 Cb -0.11 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.32 3kgd s SER 117 CO 0.44 -0.60 -0.12 -0.60 0.41 0.00 0.00 173.24 172.77 3kgd s ARG 118 N -3.92 1.25 -0.12 12.44 3.52 -0.29 -1.25 118.95 130.57 3kgd s ARG 118 Ca 0.07 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.27 3kgd s ARG 118 Cb 0.08 -1.12 0.02 0.00 -1.56 0.00 0.00 34.95 32.36 3kgd s ARG 118 CO -0.10 0.15 -0.13 0.08 -0.81 0.00 0.00 175.30 174.49 3kgd s VAL 119 N 0.16 1.41 -0.11 7.11 1.01 -0.26 -0.35 120.40 129.37 3kgd s VAL 119 Ca -0.04 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3kgd s VAL 119 Cb -0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3kgd s VAL 119 CO 0.01 0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 174.73 3kgd s GLU 120 N 1.32 3.22 -0.04 2.72 2.12 -0.18 -0.89 118.70 126.96 3kgd s GLU 120 Ca -0.00 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.73 3kgd s GLU 120 Cb -0.14 -2.65 0.00 0.00 0.26 0.00 0.00 34.13 31.61 3kgd s GLU 120 CO -0.06 0.34 -0.15 0.08 -0.54 0.00 0.00 175.26 174.93 3kgd s VAL 121 N 0.03 1.28 0.08 3.70 1.01 0.12 -0.71 120.40 125.91 3kgd s VAL 121 Ca -0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3kgd s VAL 121 Cb -0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3kgd s VAL 121 CO 0.04 0.38 0.01 -0.94 0.00 0.00 0.00 175.10 174.58 3kgd s SER 122 N 0.15 5.10 0.00 3.32 1.04 -0.32 -1.32 113.70 121.67 3kgd s SER 122 Ca -0.05 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3kgd s SER 122 Cb -0.12 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.76 3kgd s SER 122 CO 0.02 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.03 3kgd n GLY 123 N 0.60 0.43 3.76 7.32 0.00 -0.39 -0.58 105.19 116.33 3kgd n GLY 123 Ca -0.11 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 3.05 0.00 -0.02 0.00 -0.96 -0.68 107.32 108.70 3kgd s GLY 124 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3kgd s GLY 124 CO 0.00 1.38 0.00 -1.30 0.00 0.00 0.00 173.10 173.18 3kgd n THR 125 N 1.14 0.00 -2.64 0.90 -2.24 -0.44 -1.06 114.28 109.94 3kgd n THR 125 Ca -0.01 -0.24 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 3kgd n THR 125 Cb 0.46 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.21 3.28 -4.77 3.42 9.92 -1.24 -4.58 116.55 121.36 3kgd n ASP 126 Ca 0.00 -3.32 -0.38 0.00 -0.53 0.00 0.00 54.79 50.56 3kgd n ASP 126 Cb 0.00 -0.51 -0.05 0.00 -0.64 0.00 0.00 41.12 39.92 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 -3.31 7.19 0.06 -2.24 3.84 -1.26 -4.05 114.94 115.16 3kgd s ASN 127 Ca 0.40 1.98 0.21 0.00 0.21 0.00 0.00 52.86 55.66 3kgd s ASN 127 Cb 0.40 -2.59 0.86 0.00 -0.55 0.00 0.00 41.25 39.38 3kgd s ASN 127 CO -0.10 -0.18 1.66 -2.65 -2.79 0.00 0.00 177.10 173.04 3kgd n PRO 128 N 0.57 0.05 -2.40 0.43 -0.02 -1.26 -3.51 135.00 128.86 3kgd n PRO 128 Ca 0.02 0.20 -0.16 0.00 -2.02 0.00 0.00 63.50 61.54 3kgd n PRO 128 Cb 0.49 -1.58 0.03 0.00 -0.02 0.00 0.00 33.50 32.41 3kgd n PRO 128 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3kgd n SER 129 N -1.67 3.58 -3.70 2.55 7.64 -1.26 -5.02 113.62 115.73 3kgd n SER 129 Ca 0.04 -3.16 -0.12 0.00 1.01 0.00 0.00 58.87 56.64 3kgd n SER 129 Cb 0.25 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.96 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 -3.59 -0.89 0.04 -0.43 0.00 -1.23 -5.08 121.76 110.58 3kgd s ALA 130 Ca 0.41 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3kgd s ALA 130 Cb 0.39 0.31 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 3kgd s ALA 130 CO -0.02 -0.43 1.31 -1.25 0.00 0.00 0.00 175.76 175.36 3kgd s PRO 131 N -2.41 4.35 0.70 0.00 0.04 -1.26 -4.81 135.00 131.62 3kgd s PRO 131 Ca -0.06 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 3kgd s PRO 131 Cb -0.01 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 31.13 3kgd s PRO 131 CO -0.02 -0.42 1.17 -2.14 0.04 0.00 0.00 177.00 175.63 3kgd s PRO 132 N 1.66 2.37 0.32 0.56 0.02 -1.26 -4.72 135.00 133.95 3kgd s PRO 132 Ca 0.61 1.63 0.07 0.00 0.02 0.00 0.00 61.00 63.33 3kgd s PRO 132 Cb -0.31 -1.88 0.77 0.00 0.02 0.00 0.00 34.50 33.10 3kgd s PRO 132 CO 0.27 -1.63 1.80 0.00 -0.33 0.00 0.00 177.00 177.11 3kgd h ALA 133 N -0.17 1.73 0.00 -1.55 0.00 -1.95 -0.72 119.26 116.60 3kgd h ALA 133 Ca -0.47 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3kgd h ALA 133 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3kgd h ALA 133 CO 0.51 -0.08 -0.38 -0.44 0.00 0.00 0.00 179.25 178.87 3kgd h ASP 134 N 0.75 0.00 -0.14 0.00 3.32 -1.95 -0.79 116.42 117.61 3kgd h ASP 134 Ca 0.55 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.53 3kgd h ASP 134 Cb 0.88 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 3kgd h ASP 134 CO -0.33 0.38 -0.21 0.15 -1.72 0.00 0.00 179.24 177.51 3kgd h PHE 135 N 0.00 0.47 -0.35 4.55 3.04 -1.51 -0.65 116.94 122.49 3kgd h PHE 135 Ca -0.00 -0.16 0.03 0.00 3.98 0.00 0.00 57.97 61.81 3kgd h PHE 135 Cb 0.71 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 3kgd h PHE 135 CO 0.00 0.82 0.17 0.82 -2.02 0.00 0.00 178.31 178.10 3kgd h ILE 136 N -0.01 0.98 -0.40 1.41 1.08 -1.03 0.21 117.51 119.74 3kgd h ILE 136 Ca 0.01 -0.12 -0.09 0.00 -0.39 0.00 0.00 64.86 64.27 3kgd h ILE 136 Cb 0.78 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 3kgd h ILE 136 CO 0.05 0.06 -0.11 -0.09 -0.69 0.00 0.00 178.15 177.37 3kgd h ARG 137 N 0.35 0.78 0.00 2.37 2.43 -1.16 0.11 114.38 119.26 3kgd h ARG 137 Ca 0.15 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3kgd h ARG 137 Cb 0.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3kgd h ARG 137 CO -0.11 0.92 -1.33 0.54 -1.51 0.00 0.00 179.97 178.48 3kgd n ARG 138 N -4.32 0.99 -0.03 0.20 1.74 -0.26 -4.29 116.66 110.70 3kgd n ARG 138 Ca -0.01 -0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 3kgd n ARG 138 Cb 0.37 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.78 0.99 -0.01 1.55 0.31 -0.03 -4.76 118.33 114.60 3kgd n VAL 139 Ca -0.00 0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.24 3kgd n VAL 139 Cb 0.36 -1.78 -0.13 0.00 -0.91 0.00 0.00 33.84 31.38 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 -0.40 0.24 -1.40 7.52 5.85 -1.18 -3.34 115.31 122.59 3kgd h LEU 140 Ca -0.14 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.64 3kgd h LEU 140 Cb 0.82 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3kgd h LEU 140 CO -0.08 1.14 0.24 -0.33 -0.34 0.00 0.00 178.44 179.06 3kgd h GLU 141 N -0.63 0.64 -0.04 1.25 5.08 -0.96 -0.46 114.58 119.47 3kgd h GLU 141 Ca -0.06 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3kgd h GLU 141 Cb 1.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3kgd h GLU 141 CO 0.07 0.49 -0.28 -1.35 -1.00 0.00 0.00 179.01 176.94 3kgd h PRO 142 N 0.65 0.07 -0.07 2.33 0.11 -1.77 -1.01 132.00 132.30 3kgd h PRO 142 Ca 0.17 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 66.02 3kgd h PRO 142 Cb 0.05 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.16 3kgd h PRO 142 CO -0.02 0.35 -0.89 -0.07 -0.21 0.00 0.00 178.00 177.16 3kgd h LEU 143 N 0.06 0.82 -0.98 2.35 3.38 -1.33 -2.90 115.31 116.70 3kgd h LEU 143 Ca 0.01 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.42 3kgd h LEU 143 Cb 0.53 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3kgd h LEU 143 CO 0.04 1.39 0.64 -0.07 0.09 0.00 0.00 178.44 180.53 3kgd h LEU 144 N 0.42 1.07 -0.98 1.67 3.38 -0.87 -1.78 115.31 118.21 3kgd h LEU 144 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kgd h LEU 144 Cb 1.52 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 3kgd h LEU 144 CO 0.17 0.74 0.61 0.00 0.09 0.00 0.00 178.44 180.05 3kgd h ALA 145 N 1.40 1.25 0.00 1.53 0.00 -0.70 0.05 119.26 122.79 3kgd h ALA 145 Ca 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3kgd h ALA 145 Cb -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3kgd h ALA 145 CO -0.12 0.67 -0.14 0.87 0.00 0.00 0.00 179.25 180.53 3kgd h LYS 146 N 1.33 0.00 0.00 0.00 1.57 -1.14 -1.58 116.57 116.75 3kgd h LYS 146 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3kgd h LYS 146 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3kgd h LYS 146 CO -0.07 0.14 0.00 -0.89 -0.57 0.00 0.00 179.45 178.06 3kgd n ILE 147 N -4.27 0.56 0.00 1.86 5.41 -0.53 -4.52 119.36 117.87 3kgd n ILE 147 Ca -0.03 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3kgd n ILE 147 Cb 0.21 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 1.21 1.02 3.56 7.39 0.00 -0.59 -0.02 105.19 117.76 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 4.56 -0.27 -0.61 1.01 -0.11 -4.49 121.20 119.29 3kgd s ILE 149 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3kgd s ILE 149 Cb 0.00 -3.08 0.06 0.00 0.01 0.00 0.00 42.46 39.45 3kgd s ILE 149 CO 0.00 0.42 -0.09 -1.00 0.00 0.00 0.00 174.94 174.27 3kgd s HIS 150 N 0.82 3.30 -0.02 3.97 3.76 -1.26 -2.20 115.29 123.66 3kgd s HIS 150 Ca 0.03 -2.32 -0.08 0.00 -0.15 0.00 0.00 55.06 52.54 3kgd s HIS 150 Cb -0.14 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.55 3kgd s HIS 150 CO 0.02 -0.88 0.17 1.14 -0.85 0.00 0.00 174.74 174.34 3kgd s GLN 151 N 1.11 0.44 -0.08 1.40 -2.07 -1.26 -2.25 119.66 116.95 3kgd s GLN 151 Ca -0.07 -0.22 -0.00 0.00 -1.82 0.00 0.00 55.36 53.24 3kgd s GLN 151 Cb -0.20 0.19 0.03 0.00 -1.09 0.00 0.00 33.01 31.93 3kgd s GLN 151 CO -0.05 -0.10 -0.03 -0.65 -1.32 0.00 0.00 175.29 173.14 3kgd s GLN 152 N -1.03 0.94 -0.10 9.60 1.11 -0.21 -4.91 119.66 125.07 3kgd s GLN 152 Ca -0.11 -0.05 -0.01 0.00 0.01 0.00 0.00 55.36 55.20 3kgd s GLN 152 Cb -0.06 -1.13 -0.03 0.00 -1.01 0.00 0.00 33.01 30.79 3kgd s GLN 152 CO 0.02 -0.24 -0.06 0.99 0.01 0.00 0.00 175.29 176.01 3kgd s THR 153 N 1.65 3.78 -0.01 -0.19 2.01 -1.26 -1.28 115.64 120.33 3kgd s THR 153 Ca 0.01 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3kgd s THR 153 Cb -0.13 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.80 3kgd s THR 153 CO -0.05 0.57 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.50 3kgd s THR 154 N -0.44 0.49 -0.06 -0.82 2.01 0.32 -4.70 115.64 112.44 3kgd s THR 154 Ca 0.07 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.64 3kgd s THR 154 Cb -0.12 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 3kgd s THR 154 CO 0.02 0.15 0.55 -0.22 -0.69 0.00 0.00 174.62 174.43 3kgd s LEU 155 N 0.05 4.34 -0.22 4.42 0.20 -1.26 -1.11 118.68 125.10 3kgd s LEU 155 Ca -0.00 1.00 0.08 0.00 0.69 0.00 0.00 54.13 55.90 3kgd s LEU 155 Cb -0.05 -2.83 -0.21 0.00 -0.43 0.00 0.00 46.19 42.68 3kgd s LEU 155 CO -0.00 0.04 -0.03 0.18 -0.29 0.00 0.00 176.35 176.24 3kgd n LEU 156 N 3.24 1.74 -3.54 -0.68 4.77 0.74 -4.99 117.00 118.30 3kgd n LEU 156 Ca -0.07 -0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.73 3kgd n LEU 156 Cb 0.51 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3kgd n LEU 156 CO 0.43 0.74 0.33 0.00 -1.33 0.00 0.00 177.39 177.57 3kgd s ARG 157 N -2.52 1.07 0.26 3.23 1.70 -1.12 -4.93 118.95 116.65 3kgd s ARG 157 Ca -0.23 -0.16 -0.18 0.00 -0.47 0.00 0.00 55.73 54.69 3kgd s ARG 157 Cb 0.08 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.87 3kgd s ARG 157 CO 0.71 -0.39 0.72 -1.01 -1.08 0.00 0.00 175.30 174.25 3kgd s HIS 158 N -2.34 3.55 -0.32 5.89 3.76 -1.26 -0.88 115.29 123.69 3kgd s HIS 158 Ca -0.06 1.32 -0.01 0.00 -0.15 0.00 0.00 55.06 56.16 3kgd s HIS 158 Cb -0.01 -2.58 0.11 0.00 1.11 0.00 0.00 32.58 31.21 3kgd s HIS 158 CO -0.01 0.25 0.13 0.20 -0.85 0.00 0.00 174.74 174.47 3kgd s GLY 159 N -1.87 1.01 -0.22 -2.22 0.00 -1.26 -3.84 107.32 98.91 3kgd s GLY 159 Ca 0.47 -1.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.22 3kgd s GLY 159 CO 0.20 1.74 1.15 -1.36 0.00 0.00 0.00 173.10 174.83 3kgd s PHE 160 N 1.52 3.07 -0.10 1.90 0.08 -1.25 -1.33 117.98 121.87 3kgd s PHE 160 Ca 0.11 1.20 -0.30 0.00 0.12 0.00 0.00 56.93 58.07 3kgd s PHE 160 Cb -0.18 -3.47 -0.14 0.00 -0.57 0.00 0.00 43.02 38.65 3kgd s PHE 160 CO -0.22 -1.10 0.87 0.98 -0.10 0.00 0.00 175.22 175.65 3kgd n TYR 161 N 6.63 0.67 -1.23 0.36 9.36 -1.26 -1.12 117.16 130.56 3kgd n TYR 161 Ca 0.13 0.78 -0.09 0.00 3.32 0.00 0.00 57.90 62.04 3kgd n TYR 161 Cb 0.46 -1.52 0.23 0.00 -0.63 0.00 0.00 39.34 37.87 3kgd n TYR 161 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kgd n PRO 162 N 1.55 2.55 -2.73 2.98 -0.04 -1.26 -4.96 135.00 133.09 3kgd n PRO 162 Ca 0.16 -3.07 -0.21 0.00 -0.04 0.00 0.00 63.50 60.34 3kgd n PRO 162 Cb 0.03 -2.02 0.07 0.00 -0.04 0.00 0.00 33.50 31.53 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 -3.15 4.03 0.00 0.55 0.00 -0.28 -4.81 121.76 118.11 3kgd s ALA 163 Ca 0.51 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3kgd s ALA 163 Cb 0.43 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.66 3kgd s ALA 163 CO 0.07 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3kgd n GLY 164 N -2.47 2.07 1.45 0.00 0.00 -1.26 -4.30 105.19 100.69 3kgd n GLY 164 Ca 0.12 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 3.05 3.76 -0.02 0.00 -1.23 -4.26 105.19 111.49 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 -2.22 1.65 -0.10 -0.02 0.00 0.14 -4.67 107.32 102.11 3kgd s GLY 166 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 3kgd s GLY 166 CO 0.00 0.52 0.22 0.14 0.00 0.00 0.00 173.10 173.98 3kgd s VAL 167 N -2.94 -0.20 0.03 1.40 1.01 -0.06 -1.26 120.40 118.39 3kgd s VAL 167 Ca 0.62 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.90 3kgd s VAL 167 Cb -0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3kgd s VAL 167 CO 0.56 0.10 -0.20 -0.69 0.00 0.00 0.00 175.10 174.87 3kgd s VAL 168 N 1.79 1.59 0.06 2.92 1.01 -0.44 -0.18 120.40 127.16 3kgd s VAL 168 Ca -0.04 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3kgd s VAL 168 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3kgd s VAL 168 CO -0.08 0.23 -0.12 0.00 0.00 0.00 0.00 175.10 175.13 3kgd s ALA 169 N -0.74 1.01 -0.03 5.51 0.00 -0.27 -0.70 121.76 126.55 3kgd s ALA 169 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3kgd s ALA 169 Cb -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3kgd s ALA 169 CO 0.01 0.12 -0.00 0.99 0.00 0.00 0.00 175.76 176.88 3kgd s THR 170 N -1.27 0.17 -0.12 0.00 2.01 -0.07 -0.52 115.64 115.85 3kgd s THR 170 Ca -0.04 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 3kgd s THR 170 Cb -0.10 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3kgd s THR 170 CO 0.02 0.13 0.26 -1.61 -0.69 0.00 0.00 174.62 172.73 3kgd s GLU 171 N 0.90 3.95 0.03 4.92 0.41 -0.40 -1.10 118.70 127.41 3kgd s GLU 171 Ca -0.09 0.07 0.02 0.00 -0.41 0.00 0.00 54.97 54.55 3kgd s GLU 171 Cb -0.12 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 28.89 3kgd s GLU 171 CO -0.02 0.50 -0.06 0.54 -0.49 0.00 0.00 175.26 175.73 3kgd s VAL 172 N -0.30 0.42 0.13 2.63 0.11 -0.38 -1.05 120.40 121.95 3kgd s VAL 172 Ca 0.17 -0.86 0.10 0.00 -2.93 0.00 0.00 61.98 58.46 3kgd s VAL 172 Cb -0.13 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3kgd s VAL 172 CO 0.05 -0.31 -0.23 -0.44 -3.33 0.00 0.00 175.10 170.85 3kgd s SER 173 N -1.25 3.58 0.43 3.54 0.01 -0.95 -1.26 113.70 117.80 3kgd s SER 173 Ca -0.09 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.26 3kgd s SER 173 Cb -0.08 -0.37 -0.08 0.00 0.21 0.00 0.00 66.02 65.70 3kgd s SER 173 CO 0.00 0.18 1.17 -2.84 0.41 0.00 0.00 173.24 172.15 3kgd s PRO 174 N -2.14 3.89 0.20 12.44 0.02 -1.26 -4.56 135.00 143.60 3kgd s PRO 174 Ca 0.16 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 3kgd s PRO 174 Cb -0.10 -2.53 -0.09 0.00 0.02 0.00 0.00 34.50 31.80 3kgd s PRO 174 CO 0.08 -0.45 1.35 0.08 -0.33 0.00 0.00 177.00 177.74 3kgd s VAL 175 N -1.49 3.08 -0.19 3.83 1.01 0.13 -4.93 120.40 121.83 3kgd s VAL 175 Ca 0.61 0.88 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 3kgd s VAL 175 Cb -0.29 -3.56 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 3kgd s VAL 175 CO 0.36 0.12 0.06 0.00 0.00 0.00 0.00 175.10 175.65 3kgd n ALA 176 N 2.74 1.15 -3.61 5.51 0.00 -1.26 -4.99 120.51 120.05 3kgd n ALA 176 Ca 0.07 -0.85 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 3kgd n ALA 176 Cb 0.42 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -6.80 -0.59 0.36 0.00 0.15 -1.26 -5.16 113.70 100.41 3kgd s SER 177 Ca -0.29 1.02 -0.13 0.00 0.70 0.00 0.00 55.95 57.24 3kgd s SER 177 Cb 0.08 0.93 -0.08 0.00 -1.71 0.00 0.00 66.02 65.24 3kgd s SER 177 CO 0.68 -0.19 0.76 -0.36 1.20 0.00 0.00 173.24 175.33 3kgd s PHE 178 N 1.16 3.41 0.31 3.44 0.08 -1.26 -4.46 117.98 120.66 3kgd s PHE 178 Ca -0.07 1.17 0.09 0.00 0.12 0.00 0.00 56.93 58.24 3kgd s PHE 178 Cb -0.07 -2.52 -0.06 0.00 -0.57 0.00 0.00 43.02 39.81 3kgd s PHE 178 CO -0.11 -0.01 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.10 3kgd s ASN 179 N -2.64 3.42 -0.28 1.36 0.01 0.97 -4.94 114.94 112.84 3kgd s ASN 179 Ca 0.53 -1.15 -0.15 0.00 -0.71 0.00 0.00 52.86 51.38 3kgd s ASN 179 Cb -0.10 -0.29 -0.03 0.00 0.41 0.00 0.00 41.25 41.24 3kgd s ASN 179 CO 0.23 -0.19 0.37 -0.89 -1.51 0.00 0.00 177.10 175.12 3kgd s THR 180 N -2.70 5.17 -0.23 1.60 2.01 -1.26 -4.62 115.64 115.61 3kgd s THR 180 Ca 0.31 0.47 -0.10 0.00 0.31 0.00 0.00 61.69 62.68 3kgd s THR 180 Cb 0.01 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3kgd s THR 180 CO 0.15 0.11 0.13 -0.22 -0.69 0.00 0.00 174.62 174.09 3kgd s LEU 181 N 2.07 4.00 -0.15 4.42 2.96 -1.26 -4.97 118.68 125.74 3kgd s LEU 181 Ca 0.14 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3kgd s LEU 181 Cb -0.16 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3kgd s LEU 181 CO 0.10 0.09 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.92 3kgd s GLN 182 N 0.91 2.85 0.20 1.98 -0.21 -1.26 -1.68 119.66 122.45 3kgd s GLN 182 Ca 0.06 -0.79 0.11 0.00 0.02 0.00 0.00 55.36 54.76 3kgd s GLN 182 Cb -0.13 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 3kgd s GLN 182 CO 0.03 -0.10 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.38 3kgd s LEU 183 N 1.03 2.46 0.00 2.90 1.43 -0.13 -4.98 118.68 121.39 3kgd s LEU 183 Ca -0.02 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 3kgd s LEU 183 Cb -0.14 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.03 3kgd s LEU 183 CO -0.06 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.19 3kgd n GLY 184 N 0.15 1.70 3.74 -3.19 0.00 -1.26 -3.40 105.19 102.92 3kgd n GLY 184 Ca -0.12 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 2.09 2.68 0.22 1.61 -1.05 -1.26 -0.93 118.70 122.06 3kgd s GLU 185 Ca 0.00 1.92 0.03 0.00 -0.15 0.00 0.00 54.97 56.77 3kgd s GLU 185 Cb 0.00 -1.88 0.19 0.00 -0.44 0.00 0.00 34.13 32.00 3kgd s GLU 185 CO 0.00 -1.46 1.52 -0.09 0.95 0.00 0.00 175.26 176.19 3kgd h ARG 186 N 0.58 0.28 0.00 -4.83 2.43 -1.16 -3.38 114.38 108.31 3kgd h ARG 186 Ca -0.50 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3kgd h ARG 186 Cb 1.31 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3kgd h ARG 186 CO 0.54 0.82 0.00 0.41 -1.51 0.00 0.00 179.97 180.23 3kgd n GLY 187 N 0.35 -1.36 3.78 2.80 0.00 -1.26 -2.28 105.19 107.22 3kgd n GLY 187 Ca -0.03 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 3kgd n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kgd s ASN 188 N -4.00 5.85 0.20 1.61 0.01 -1.26 -4.63 114.94 112.72 3kgd s ASN 188 Ca 0.00 2.06 -0.30 0.00 -0.71 0.00 0.00 52.86 53.91 3kgd s ASN 188 Cb 0.00 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 39.01 3kgd s ASN 188 CO 0.00 -1.13 1.18 -0.63 -1.51 0.00 0.00 177.10 175.01 3kgd s ILE 189 N -1.94 3.55 -0.22 0.60 -1.09 -1.26 -0.24 121.20 120.60 3kgd s ILE 189 Ca 0.70 1.35 -0.13 0.00 -2.23 0.00 0.00 60.65 60.34 3kgd s ILE 189 Cb -0.21 -3.86 -0.09 0.00 -1.58 0.00 0.00 42.46 36.72 3kgd s ILE 189 CO 0.27 0.24 -0.32 0.52 -1.23 0.00 0.00 174.94 174.42 3kgd n VAL 190 N 2.24 1.38 -3.75 2.92 0.31 0.13 -4.86 118.33 116.69 3kgd n VAL 190 Ca 0.03 -0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.00 3kgd n VAL 190 Cb 0.45 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.35 3kgd n VAL 190 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3kgd s GLN 191 N -2.53 0.62 -0.10 5.55 -0.21 -0.83 -5.02 119.66 117.14 3kgd s GLN 191 Ca -0.32 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3kgd s GLN 191 Cb 0.11 0.28 -0.02 0.00 1.00 0.00 0.00 33.01 34.38 3kgd s GLN 191 CO 0.42 -0.16 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.70 3kgd s MET 192 N -1.02 3.11 -0.10 2.91 -1.94 -1.26 -0.57 119.30 120.44 3kgd s MET 192 Ca -0.11 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 3kgd s MET 192 Cb -0.05 -2.63 0.02 0.00 2.01 0.00 0.00 34.83 34.18 3kgd s MET 192 CO 0.04 0.42 -0.09 1.03 -0.01 0.00 0.00 175.02 176.41 3kgd s ARG 193 N -0.16 1.55 -0.06 2.03 0.52 -0.16 -0.66 118.95 122.00 3kgd s ARG 193 Ca 0.01 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 3kgd s ARG 193 Cb -0.13 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 3kgd s ARG 193 CO 0.03 -0.18 0.05 0.20 0.02 0.00 0.00 175.30 175.42 3kgd s GLY 194 N 1.39 1.96 -0.01 -3.53 0.00 0.57 -0.48 107.32 107.22 3kgd s GLY 194 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.90 3kgd s GLY 194 CO -0.05 -0.61 0.01 -0.54 0.00 0.00 0.00 173.10 171.92 3kgd s GLU 195 N -1.23 -0.01 -0.06 2.90 2.02 -0.16 -1.08 118.70 121.08 3kgd s GLU 195 Ca 0.17 0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.28 3kgd s GLU 195 Cb -0.12 -0.08 -0.00 0.00 0.10 0.00 0.00 34.13 34.03 3kgd s GLU 195 CO 0.07 -0.06 -0.20 0.08 0.02 0.00 0.00 175.26 175.17 3kgd s VAL 196 N 0.37 1.70 -0.11 2.63 1.01 -0.04 -0.21 120.40 125.75 3kgd s VAL 196 Ca -0.03 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3kgd s VAL 196 Cb -0.04 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3kgd s VAL 196 CO -0.01 0.48 0.01 -0.76 0.00 0.00 0.00 175.10 174.82 3kgd s LEU 197 N 0.06 3.59 -0.02 3.92 1.43 -0.15 -0.87 118.68 126.64 3kgd s LEU 197 Ca -0.07 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3kgd s LEU 197 Cb -0.13 -1.84 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3kgd s LEU 197 CO 0.04 0.32 -0.10 -0.76 0.23 0.00 0.00 176.35 176.07 3kgd s LEU 198 N -0.50 1.85 -0.03 1.79 1.43 -0.41 -2.03 118.68 120.78 3kgd s LEU 198 Ca 0.09 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 3kgd s LEU 198 Cb -0.12 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.53 3kgd s LEU 198 CO 0.02 0.09 0.05 0.00 0.23 0.00 0.00 176.35 176.74 3kgd s ALA 199 N 0.07 0.11 -1.45 4.21 0.00 0.11 0.04 121.76 124.86 3kgd s ALA 199 Ca -0.01 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 3kgd s ALA 199 Cb -0.08 -0.40 0.05 0.00 0.00 0.00 0.00 23.12 22.68 3kgd s ALA 199 CO 0.00 -0.26 0.70 0.41 0.00 0.00 0.00 175.76 176.62 3kgd n GLY 200 N 4.61 -0.51 2.90 0.00 0.00 -1.26 -1.26 105.19 109.67 3kgd n GLY 200 Ca -0.19 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.13 0.01 0.49 1.61 1.01 -1.26 -4.77 120.40 114.36 3kgd s VAL 201 Ca 0.44 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 3kgd s VAL 201 Cb -0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 3kgd s VAL 201 CO 0.54 -0.07 1.39 -2.65 0.00 0.00 0.00 175.10 174.31 3kgd n PRO 202 N 2.86 2.00 0.06 2.72 -0.02 -1.26 -4.93 135.00 136.44 3kgd n PRO 202 Ca -0.14 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.11 3kgd n PRO 202 Cb 0.59 -2.59 0.47 0.00 -0.02 0.00 0.00 33.50 31.96 3kgd n PRO 202 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3kgd h ARG 203 N 1.92 0.41 0.00 -0.52 9.65 -2.02 -2.34 114.38 121.48 3kgd h ARG 203 Ca -0.51 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.32 3kgd h ARG 203 Cb 1.29 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3kgd h ARG 203 CO 0.59 0.27 -0.13 1.12 2.80 0.00 0.00 179.97 184.63 3kgd h HIS 204 N 0.43 0.00 -0.86 2.20 2.07 -2.00 -1.65 115.15 115.34 3kgd h HIS 204 Ca 0.11 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.65 3kgd h HIS 204 Cb -0.05 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.89 3kgd h HIS 204 CO 0.00 0.13 0.56 0.28 -3.07 0.00 0.00 177.93 175.83 3kgd h VAL 205 N 0.00 1.19 -0.22 6.12 2.07 -1.79 -0.69 116.25 122.92 3kgd h VAL 205 Ca -0.00 -0.39 -0.21 0.00 0.82 0.00 0.00 66.70 66.92 3kgd h VAL 205 Cb 0.45 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3kgd h VAL 205 CO 0.02 0.21 -0.68 0.00 0.02 0.00 0.00 177.57 177.13 3kgd h ALA 206 N 1.33 0.37 -0.52 1.67 0.00 -1.45 -1.60 119.26 119.06 3kgd h ALA 206 Ca 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3kgd h ALA 206 Cb -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kgd h ALA 206 CO -0.09 0.68 0.33 0.93 0.00 0.00 0.00 179.25 181.10 3kgd h GLU 207 N 0.61 0.70 -0.38 0.00 5.08 -1.28 0.00 114.58 119.31 3kgd h GLU 207 Ca -0.02 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 3kgd h GLU 207 Cb 1.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 3kgd h GLU 207 CO 0.15 0.49 -0.27 0.00 -1.00 0.00 0.00 179.01 178.37 3kgd h ARG 208 N 0.70 0.79 -0.22 2.33 3.08 -1.10 -0.70 114.38 119.26 3kgd h ARG 208 Ca 0.19 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 3kgd h ARG 208 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3kgd h ARG 208 CO -0.04 0.97 0.00 0.93 -1.07 0.00 0.00 179.97 180.76 3kgd h GLU 209 N 0.68 0.40 -0.78 0.04 5.08 -0.89 -2.15 114.58 116.94 3kgd h GLU 209 Ca 0.08 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3kgd h GLU 209 Cb 0.80 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 3kgd h GLU 209 CO 0.07 0.58 0.49 0.82 -1.00 0.00 0.00 179.01 179.97 3kgd h ILE 210 N 0.16 1.08 -0.57 3.13 1.08 -0.90 -2.28 117.51 119.22 3kgd h ILE 210 Ca 0.06 -0.32 -0.08 0.00 -0.39 0.00 0.00 64.86 64.13 3kgd h ILE 210 Cb 0.40 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3kgd h ILE 210 CO 0.01 0.17 0.04 0.00 -0.69 0.00 0.00 178.15 177.68 3kgd h ALA 211 N 1.34 0.99 -0.67 1.87 0.00 -0.96 -1.14 119.26 120.68 3kgd h ALA 211 Ca 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kgd h ALA 211 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3kgd h ALA 211 CO -0.13 0.63 0.28 1.15 0.00 0.00 0.00 179.25 181.17 3kgd h THR 212 N 0.89 1.23 -0.51 0.00 2.02 -1.14 -0.62 112.91 114.78 3kgd h THR 212 Ca 0.17 -0.70 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 3kgd h THR 212 Cb 0.47 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3kgd h THR 212 CO 0.02 0.28 -0.16 -0.07 0.37 0.00 0.00 175.52 175.97 3kgd h LEU 213 N 0.96 1.01 -1.02 2.58 3.38 -0.87 -3.03 115.31 118.31 3kgd h LEU 213 Ca 0.23 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3kgd h LEU 213 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kgd h LEU 213 CO -0.02 1.14 -0.23 0.00 0.09 0.00 0.00 178.44 179.42 3kgd h ALA 214 N 0.94 1.00 -0.24 1.53 0.00 -0.80 -0.25 119.26 121.43 3kgd h ALA 214 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3kgd h ALA 214 Cb 0.72 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kgd h ALA 214 CO 0.06 0.28 -0.07 0.78 0.00 0.00 0.00 179.25 180.30 3kgd h GLY 215 N 2.21 0.41 0.00 0.00 0.00 -1.00 -3.32 103.07 101.37 3kgd h GLY 215 Ca -0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 3kgd h GLY 215 CO 0.03 0.23 -2.06 1.44 0.00 0.00 0.00 176.54 176.18 3kgd n SER 216 N -4.27 0.52 -4.11 0.19 7.64 -0.76 -4.99 113.62 107.83 3kgd n SER 216 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 3kgd n SER 216 Cb 0.26 1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 64.80 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 -2.94 0.97 -0.51 1.43 0.08 -0.18 -5.09 117.98 111.74 3kgd s PHE 217 Ca -0.08 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.24 3kgd s PHE 217 Cb 0.09 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 42.00 3kgd s PHE 217 CO 0.78 -0.00 1.23 0.45 -0.10 0.00 0.00 175.22 177.58 3kgd s SER 218 N -1.51 6.48 -0.21 1.36 0.15 -1.26 -4.25 113.70 114.45 3kgd s SER 218 Ca -0.04 0.40 -0.19 0.00 0.70 0.00 0.00 55.95 56.82 3kgd s SER 218 Cb -0.09 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 3kgd s SER 218 CO 0.01 -1.40 0.53 -0.76 1.20 0.00 0.00 173.24 172.82 3kgd s LEU 219 N 4.93 4.13 0.15 3.45 1.43 -1.26 -4.58 118.68 126.93 3kgd s LEU 219 Ca 0.49 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 3kgd s LEU 219 Cb -0.09 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3kgd s LEU 219 CO 0.30 -0.21 1.35 0.45 0.23 0.00 0.00 176.35 178.47 3kgd h HIS 220 N 7.57 0.29 -4.12 0.29 3.86 -1.28 -3.45 115.15 118.31 3kgd h HIS 220 Ca -0.32 -0.16 -0.51 0.00 -1.16 0.00 0.00 60.37 58.21 3kgd h HIS 220 Cb 1.15 -0.03 -0.30 0.00 1.06 0.00 0.00 27.41 29.29 3kgd h HIS 220 CO 0.71 1.00 -0.82 -1.21 0.86 0.00 0.00 177.93 178.47 3kgd s GLU 221 N -3.13 1.31 -0.11 2.45 2.02 -1.02 -5.03 118.70 115.18 3kgd s GLU 221 Ca -0.03 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.45 3kgd s GLU 221 Cb 0.10 -1.23 0.02 0.00 0.10 0.00 0.00 34.13 33.12 3kgd s GLU 221 CO 0.83 0.28 -0.12 -0.65 0.02 0.00 0.00 175.26 175.62 3kgd s GLN 222 N -0.21 1.93 -0.04 1.61 -0.21 -1.26 -0.31 119.66 121.17 3kgd s GLN 222 Ca 0.03 -0.43 0.05 0.00 0.02 0.00 0.00 55.36 55.02 3kgd s GLN 222 Cb -0.07 -1.76 -0.01 0.00 1.00 0.00 0.00 33.01 32.17 3kgd s GLN 222 CO 0.00 -0.16 -0.19 1.21 -2.12 0.00 0.00 175.29 174.03 3kgd s ASN 223 N 1.29 2.36 -0.09 5.90 2.47 -0.24 -4.99 114.94 121.64 3kgd s ASN 223 Ca -0.01 -0.38 0.02 0.00 0.42 0.00 0.00 52.86 52.90 3kgd s ASN 223 Cb -0.14 -0.59 0.01 0.00 -1.45 0.00 0.00 41.25 39.09 3kgd s ASN 223 CO -0.05 0.19 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.74 3kgd s ILE 224 N -0.09 1.39 -0.18 -5.21 1.01 -1.26 -0.87 121.20 116.00 3kgd s ILE 224 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3kgd s ILE 224 Cb -0.11 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.13 3kgd s ILE 224 CO 0.02 0.42 -0.09 -2.28 0.00 0.00 0.00 174.94 173.01 3kgd s HIS 225 N 0.82 2.10 -0.24 3.97 2.46 -0.05 -4.97 115.29 119.38 3kgd s HIS 225 Ca -0.11 -1.33 -0.20 0.00 0.47 0.00 0.00 55.06 53.89 3kgd s HIS 225 Cb -0.16 -1.51 -0.02 0.00 -0.13 0.00 0.00 32.58 30.77 3kgd s HIS 225 CO 0.01 -0.68 0.60 -0.80 -2.47 0.00 0.00 174.74 171.40 3kgd s ASN 226 N 1.50 6.58 0.34 9.88 0.01 -1.26 -1.29 114.94 130.70 3kgd s ASN 226 Ca 0.01 0.70 0.06 0.00 -0.71 0.00 0.00 52.86 52.92 3kgd s ASN 226 Cb -0.15 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 3kgd s ASN 226 CO -0.08 -0.32 0.48 -0.76 -1.51 0.00 0.00 177.10 174.91 3kgd s LEU 227 N 2.26 3.98 0.39 0.60 1.43 0.11 -4.97 118.68 122.47 3kgd s LEU 227 Ca 0.26 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 3kgd s LEU 227 Cb -0.16 -2.81 -0.11 0.00 0.03 0.00 0.00 46.19 43.15 3kgd s LEU 227 CO 0.09 -0.42 1.18 -2.65 0.23 0.00 0.00 176.35 174.78 3kgd n PRO 228 N -1.66 1.75 -0.19 1.29 -0.02 -1.26 -4.41 135.00 130.50 3kgd n PRO 228 Ca -0.01 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 3kgd n PRO 228 Cb 0.58 -2.23 0.33 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.01 0.78 0.00 -0.52 2.43 -1.96 -0.55 114.38 116.57 3kgd h ARG 229 Ca -0.46 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3kgd h ARG 229 Cb 1.31 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3kgd h ARG 229 CO 0.60 0.52 0.00 -0.40 -1.51 0.00 0.00 179.97 179.17 3kgd n ASP 230 N -4.47 0.30 -0.01 -3.80 3.85 -1.26 -0.80 116.55 110.35 3kgd n ASP 230 Ca 0.10 0.56 0.15 0.00 -0.71 0.00 0.00 54.79 54.89 3kgd n ASP 230 Cb 0.19 -0.63 0.70 0.00 -1.35 0.00 0.00 41.12 40.04 3kgd n ASP 230 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kgd n GLN 231 N -1.81 0.37 -1.11 0.11 6.02 -0.22 -4.85 117.38 115.89 3kgd n GLN 231 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3kgd n GLN 231 Cb 0.25 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 1.33 2.80 3.79 1.08 0.00 0.02 -3.81 105.19 110.40 3kgd n GLY 232 Ca 0.13 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 3kgd n GLY 232 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kgd s PRO 233 N -1.33 4.28 -0.10 1.61 0.05 -1.26 -4.95 135.00 133.30 3kgd s PRO 233 Ca 0.00 1.41 -0.30 0.00 0.05 0.00 0.00 61.00 62.16 3kgd s PRO 233 Cb 0.00 -2.55 0.11 0.00 0.05 0.00 0.00 34.50 32.11 3kgd s PRO 233 CO 0.00 -0.02 0.91 0.20 0.05 0.00 0.00 177.00 178.13 3kgd s GLY 234 N -1.67 -0.38 -0.28 0.56 0.00 -0.39 -4.74 107.32 100.43 3kgd s GLY 234 Ca 0.57 1.62 -0.12 0.00 0.00 0.00 0.00 44.72 46.79 3kgd s GLY 234 CO 0.24 0.83 0.64 0.21 0.00 0.00 0.00 173.10 175.02 3kgd s ASN 235 N -1.50 -1.00 0.13 1.64 2.47 -1.26 -0.71 114.94 114.71 3kgd s ASN 235 Ca -0.02 1.49 0.08 0.00 0.42 0.00 0.00 52.86 54.84 3kgd s ASN 235 Cb -0.01 1.88 -0.04 0.00 -1.45 0.00 0.00 41.25 41.63 3kgd s ASN 235 CO 0.00 -0.23 -0.19 0.42 -3.72 0.00 0.00 177.10 173.38 3kgd s THR 236 N 2.40 1.70 -0.07 -5.21 -4.23 -0.86 0.38 115.64 109.74 3kgd s THR 236 Ca -0.07 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3kgd s THR 236 Cb -0.09 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.11 3kgd s THR 236 CO -0.19 -0.19 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.87 3kgd s VAL 237 N -1.58 1.30 0.13 2.29 1.01 -0.66 -0.98 120.40 121.90 3kgd s VAL 237 Ca 0.10 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3kgd s VAL 237 Cb -0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3kgd s VAL 237 CO 0.05 0.39 -0.13 -0.44 0.00 0.00 0.00 175.10 174.97 3kgd s SER 238 N 0.53 1.97 -0.05 3.32 0.01 0.71 -1.06 113.70 119.13 3kgd s SER 238 Ca -0.14 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.27 3kgd s SER 238 Cb -0.15 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.04 3kgd s SER 238 CO 0.04 -0.18 0.01 -0.22 0.41 0.00 0.00 173.24 173.31 3kgd s LEU 239 N -2.59 0.72 -0.21 2.44 0.20 -0.12 -0.99 118.68 118.14 3kgd s LEU 239 Ca 0.10 -0.03 -0.10 0.00 0.69 0.00 0.00 54.13 54.79 3kgd s LEU 239 Cb -0.04 -0.31 -0.05 0.00 -0.43 0.00 0.00 46.19 45.37 3kgd s LEU 239 CO 0.03 -0.17 0.12 -0.70 -0.29 0.00 0.00 176.35 175.34 3kgd s GLU 240 N 1.65 4.09 -0.36 1.98 2.12 0.37 -0.87 118.70 127.69 3kgd s GLU 240 Ca -0.01 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.97 3kgd s GLU 240 Cb -0.13 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 30.89 3kgd s GLU 240 CO -0.03 0.21 0.16 0.08 -0.54 0.00 0.00 175.26 175.13 3kgd s VAL 241 N 0.61 4.11 -0.27 3.70 1.01 0.30 -0.99 120.40 128.87 3kgd s VAL 241 Ca 0.07 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3kgd s VAL 241 Cb -0.12 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 3kgd s VAL 241 CO 0.01 -0.23 0.21 -0.70 0.00 0.00 0.00 175.10 174.39 3kgd s GLU 242 N 1.46 3.98 0.50 2.72 2.12 0.27 -1.12 118.70 128.63 3kgd s GLU 242 Ca 0.00 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.09 3kgd s GLU 242 Cb -0.20 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 3kgd s GLU 242 CO 0.04 -0.15 0.01 -1.12 -0.54 0.00 0.00 175.26 173.50 3kgd s SER 243 N 1.63 4.10 0.27 -1.70 0.01 0.38 0.18 113.70 118.57 3kgd s SER 243 Ca 0.08 -1.61 -0.01 0.00 1.31 0.00 0.00 55.95 55.72 3kgd s SER 243 Cb -0.16 0.39 0.46 0.00 0.21 0.00 0.00 66.02 66.92 3kgd s SER 243 CO 0.10 -0.80 1.85 -0.08 0.41 0.00 0.00 173.24 174.72 3kgd h GLU 244 N 1.40 1.00 -0.01 12.44 4.81 -0.71 -3.16 114.58 130.35 3kgd h GLU 244 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3kgd h GLU 244 Cb 1.30 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3kgd h GLU 244 CO 0.75 0.66 -0.37 0.09 -0.73 0.00 0.00 179.01 179.41 3kgd n ASN 245 N -4.60 1.58 -3.55 1.04 3.02 -0.97 -5.02 115.26 106.77 3kgd n ASN 245 Ca 0.16 -1.29 -0.08 0.00 -0.03 0.00 0.00 54.58 53.35 3kgd n ASN 245 Cb 0.27 0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 39.91 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 -1.96 0.00 -0.13 2.41 2.07 -1.19 -5.05 121.20 117.35 3kgd s ILE 246 Ca 0.13 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.36 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 0.43 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.47 3kgd s THR 247 N -2.42 3.40 0.29 4.00 2.01 -1.26 -0.47 115.64 121.19 3kgd s THR 247 Ca 0.05 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.62 3kgd s THR 247 Cb -0.01 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 3kgd s THR 247 CO -0.05 0.52 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.61 3kgd s GLU 248 N 0.27 1.67 -0.06 4.92 0.41 -0.27 -4.64 118.70 121.00 3kgd s GLU 248 Ca -0.07 -1.79 -0.05 0.00 -0.41 0.00 0.00 54.97 52.66 3kgd s GLU 248 Cb -0.15 -1.69 0.02 0.00 -1.78 0.00 0.00 34.13 30.53 3kgd s GLU 248 CO 0.04 0.28 0.15 1.03 -0.49 0.00 0.00 175.26 176.27 3kgd s ARG 249 N -3.55 0.16 0.15 1.61 0.52 -1.26 -0.54 118.95 116.04 3kgd s ARG 249 Ca 0.30 0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.84 3kgd s ARG 249 Cb -0.03 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 3kgd s ARG 249 CO 0.15 -0.05 -0.19 -0.06 0.02 0.00 0.00 175.30 175.17 3kgd s PHE 250 N 0.32 1.80 0.07 -0.53 0.08 -0.04 -4.99 117.98 114.68 3kgd s PHE 250 Ca -0.02 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.43 3kgd s PHE 250 Cb -0.03 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.52 3kgd s PHE 250 CO -0.01 0.30 0.31 -0.59 -0.10 0.00 0.00 175.22 175.12 3kgd s PHE 251 N -1.87 -0.08 0.04 0.36 -0.12 -1.26 -0.94 117.98 114.11 3kgd s PHE 251 Ca 0.14 -0.14 0.05 0.00 -0.05 0.00 0.00 56.93 56.93 3kgd s PHE 251 Cb -0.07 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 3kgd s PHE 251 CO 0.06 -0.55 -0.14 0.14 -0.05 0.00 0.00 175.22 174.68 3kgd s VAL 252 N -3.04 1.08 -0.17 -2.49 -7.23 -0.22 -4.97 120.40 103.36 3kgd s VAL 252 Ca -0.02 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.99 3kgd s VAL 252 Cb 0.01 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 3kgd s VAL 252 CO -0.06 -0.05 0.21 -0.69 -0.31 0.00 0.00 175.10 174.19 3kgd s VAL 253 N -0.94 5.36 0.82 1.32 1.01 -1.26 -1.66 120.40 125.05 3kgd s VAL 253 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3kgd s VAL 253 Cb -0.08 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.83 3kgd s VAL 253 CO 0.01 0.43 1.10 -0.83 0.00 0.00 0.00 175.10 175.82 3kgd s GLY 254 N 0.30 1.62 0.14 4.51 0.00 0.16 -5.00 107.32 109.05 3kgd s GLY 254 Ca 0.13 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.38 3kgd s GLY 254 CO 0.01 0.21 0.56 -1.83 0.00 0.00 0.00 173.10 172.05 3kgd s GLU 255 N -5.16 1.22 -0.41 2.90 -1.05 -1.26 -4.73 118.70 110.21 3kgd s GLU 255 Ca 0.61 -0.48 -0.38 0.00 -0.15 0.00 0.00 54.97 54.57 3kgd s GLU 255 Cb -0.15 0.56 -0.16 0.00 -0.44 0.00 0.00 34.13 33.94 3kgd s GLU 255 CO 0.54 -0.52 1.41 1.63 0.95 0.00 0.00 175.26 179.27 3kgd n LYS 256 N -0.28 0.00 -3.25 -4.83 5.02 -1.26 -1.94 118.16 111.61 3kgd n LYS 256 Ca -0.17 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.96 3kgd n LYS 256 Cb 0.64 -1.22 0.06 0.00 -0.02 0.00 0.00 35.03 34.50 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 3.94 -5.65 -4.53 1.97 1.74 -1.26 -5.02 116.66 107.86 3kgd n ARG 257 Ca 0.30 0.61 -0.33 0.00 -0.77 0.00 0.00 57.85 57.66 3kgd n ARG 257 Cb -0.04 -4.97 -0.16 0.00 -1.02 0.00 0.00 32.46 26.27 3kgd n ARG 257 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kgd s VAL 258 N -3.24 2.19 -0.09 1.55 1.01 -0.82 -5.09 120.40 115.91 3kgd s VAL 258 Ca 0.35 -0.93 -0.40 0.00 0.00 0.00 0.00 61.98 61.00 3kgd s VAL 258 Cb -0.15 -1.90 -0.18 0.00 0.00 0.00 0.00 36.38 34.15 3kgd s VAL 258 CO 0.53 0.54 1.34 -0.24 0.00 0.00 0.00 175.10 177.27 3kgd n SER 259 N 4.19 1.07 -0.28 3.32 2.88 -1.26 -4.74 113.62 118.80 3kgd n SER 259 Ca -0.20 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.56 3kgd n SER 259 Cb 0.51 -1.03 0.23 0.00 -0.75 0.00 0.00 64.21 63.17 3kgd n SER 259 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kgd h ALA 260 N 4.44 1.20 -0.55 -1.46 0.00 -1.97 0.28 119.26 121.20 3kgd h ALA 260 Ca -0.48 0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kgd h ALA 260 Cb 1.37 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3kgd h ALA 260 CO 0.79 -0.25 0.37 0.93 0.00 0.00 0.00 179.25 181.09 3kgd h GLU 261 N 0.44 0.70 -0.14 0.00 3.07 -1.88 -1.01 114.58 115.76 3kgd h GLU 261 Ca 0.47 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 59.11 3kgd h GLU 261 Cb 0.78 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.54 3kgd h GLU 261 CO -0.45 0.46 -0.60 0.28 -1.40 0.00 0.00 179.01 177.30 3kgd h VAL 262 N 0.72 1.32 -0.34 3.13 2.07 -0.91 -0.81 116.25 121.44 3kgd h VAL 262 Ca 0.21 -1.86 0.07 0.00 0.82 0.00 0.00 66.70 65.94 3kgd h VAL 262 Cb -0.05 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 3kgd h VAL 262 CO -0.05 0.58 -0.11 0.58 0.02 0.00 0.00 177.57 178.58 3kgd h VAL 263 N 0.32 0.60 -0.36 2.57 2.07 -0.58 -1.98 116.25 118.89 3kgd h VAL 263 Ca -0.04 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 3kgd h VAL 263 Cb 1.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3kgd h VAL 263 CO 0.13 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.43 3kgd h ALA 264 N 1.27 0.82 -0.08 1.67 0.00 -1.11 -2.73 119.26 119.10 3kgd h ALA 264 Ca 0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3kgd h ALA 264 Cb 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kgd h ALA 264 CO -0.37 0.64 -0.23 0.00 0.00 0.00 0.00 179.25 179.29 3kgd h ALA 265 N 1.03 1.48 -0.38 0.00 0.00 -0.93 -0.70 119.26 119.76 3kgd h ALA 265 Ca 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3kgd h ALA 265 Cb 0.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kgd h ALA 265 CO 0.07 0.37 0.21 0.37 0.00 0.00 0.00 179.25 180.27 3kgd h GLN 266 N 0.12 0.53 -0.56 0.00 4.15 -1.05 -1.64 115.11 116.66 3kgd h GLN 266 Ca 0.02 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.33 3kgd h GLN 266 Cb 0.47 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 3kgd h GLN 266 CO 0.03 0.43 0.15 1.25 -1.93 0.00 0.00 178.83 178.75 3kgd h LEU 267 N 0.49 0.85 -0.64 -2.39 5.85 -1.23 -2.65 115.31 115.60 3kgd h LEU 267 Ca 0.14 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.70 3kgd h LEU 267 Cb 0.05 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3kgd h LEU 267 CO -0.02 0.85 0.32 0.58 -0.34 0.00 0.00 178.44 179.83 3kgd h VAL 268 N 0.80 0.91 -0.70 1.05 2.07 -0.92 -0.96 116.25 118.49 3kgd h VAL 268 Ca 0.18 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3kgd h VAL 268 Cb 0.33 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3kgd h VAL 268 CO 0.00 0.11 0.43 0.50 0.02 0.00 0.00 177.57 178.63 3kgd h LYS 269 N 0.59 0.79 -0.33 1.57 3.64 -0.97 0.44 116.57 122.31 3kgd h LYS 269 Ca 0.30 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3kgd h LYS 269 Cb 0.25 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3kgd h LYS 269 CO -0.22 0.53 -0.14 1.49 -2.27 0.00 0.00 179.45 178.84 3kgd h GLU 270 N 0.82 0.67 -0.46 1.90 4.81 -1.05 -0.96 114.58 120.30 3kgd h GLU 270 Ca 0.29 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3kgd h GLU 270 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3kgd h GLU 270 CO -0.13 0.87 -0.26 0.28 -0.73 0.00 0.00 179.01 179.04 3kgd h VAL 271 N 0.44 1.27 -0.99 0.32 2.07 -0.87 -1.99 116.25 116.51 3kgd h VAL 271 Ca 0.08 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.21 3kgd h VAL 271 Cb 0.66 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3kgd h VAL 271 CO 0.04 0.49 0.65 0.11 0.02 0.00 0.00 177.57 178.88 3kgd h LYS 272 N 0.84 1.20 -0.66 1.57 1.57 -0.71 -0.32 116.57 120.06 3kgd h LYS 272 Ca 0.10 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3kgd h LYS 272 Cb 0.84 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3kgd h LYS 272 CO 0.07 0.79 0.43 -0.09 -0.57 0.00 0.00 179.45 180.09 3kgd h ARG 273 N 1.24 0.86 -0.27 3.15 2.43 -0.79 0.69 114.38 121.67 3kgd h ARG 273 Ca 0.40 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.54 3kgd h ARG 273 Cb 0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3kgd h ARG 273 CO -0.13 0.57 0.14 -0.92 -1.51 0.00 0.00 179.97 178.11 3kgd h TYR 274 N 0.88 0.26 0.00 2.20 3.20 -0.63 -2.71 116.97 120.17 3kgd h TYR 274 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3kgd h TYR 274 Cb -0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.11 3kgd h TYR 274 CO -0.03 0.14 0.00 1.28 -1.64 0.00 0.00 178.16 177.91 3kgd n LEU 275 N -4.97 0.49 0.00 2.82 4.77 -0.20 -2.47 117.00 117.45 3kgd n LEU 275 Ca -0.01 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 3kgd n LEU 275 Cb 0.06 -0.49 0.57 0.00 -2.33 0.00 0.00 43.42 41.24 3kgd n LEU 275 CO 0.31 -0.33 0.92 0.00 -1.33 0.00 0.00 177.39 176.97 3kgd n ALA 276 N -1.69 2.23 -2.51 -1.18 0.00 0.19 -4.76 120.51 112.79 3kgd n ALA 276 Ca 0.04 -0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.13 3kgd n ALA 276 Cb 0.28 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.21 3kgd n ALA 276 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kgd s SER 277 N -3.01 4.21 0.04 0.00 0.01 -1.03 -5.05 113.70 108.87 3kgd s SER 277 Ca 0.13 -1.12 0.26 0.00 1.31 0.00 0.00 55.95 56.53 3kgd s SER 277 Cb 0.17 -0.48 0.68 0.00 0.21 0.00 0.00 66.02 66.60 3kgd s SER 277 CO 0.49 -0.42 1.55 0.35 0.41 0.00 0.00 173.24 175.62 3kgd n THR 278 N -1.08 0.12 -2.39 1.44 -2.24 -1.26 -4.97 114.28 103.90 3kgd n THR 278 Ca -0.03 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 3kgd n THR 278 Cb 0.64 -0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.04 3.37 0.05 6.98 0.00 -1.26 -0.79 121.76 127.07 3kgd s ALA 279 Ca 0.11 0.96 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 3kgd s ALA 279 Cb 0.17 -3.36 -0.17 0.00 0.00 0.00 0.00 23.12 19.76 3kgd s ALA 279 CO 0.65 -0.29 1.56 0.00 0.00 0.00 0.00 175.76 177.68 3kgd h ALA 280 N 3.51 -0.02 -2.39 0.00 0.00 -1.22 -3.39 119.26 115.75 3kgd h ALA 280 Ca -0.47 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 53.79 3kgd h ALA 280 Cb 1.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 3kgd h ALA 280 CO 0.66 -0.42 0.41 0.08 0.00 0.00 0.00 179.25 179.98 3kgd s VAL 281 N -5.46 4.86 0.85 0.00 1.01 -1.25 -4.89 120.40 115.53 3kgd s VAL 281 Ca -0.14 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.67 3kgd s VAL 281 Cb 0.04 -4.26 0.16 0.00 0.00 0.00 0.00 36.38 32.33 3kgd s VAL 281 CO 0.66 0.10 1.17 -0.83 0.00 0.00 0.00 175.10 176.20 3kgd s GLY 282 N 1.03 1.77 0.21 4.51 0.00 -1.26 -4.52 107.32 109.06 3kgd s GLY 282 Ca 0.47 -1.44 -0.11 0.00 0.00 0.00 0.00 44.72 43.64 3kgd s GLY 282 CO 0.21 -0.77 1.67 -2.09 0.00 0.00 0.00 173.10 172.12 3kgd h GLU 283 N -1.12 0.12 0.10 2.90 4.81 -1.96 -2.09 114.58 117.33 3kgd h GLU 283 Ca -0.41 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.66 3kgd h GLU 283 Cb 1.25 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.61 3kgd h GLU 283 CO 0.39 0.08 -0.74 1.88 -0.73 0.00 0.00 179.01 179.89 3kgd h TYR 284 N 0.12 0.38 -0.96 0.92 0.05 -1.97 -3.29 116.97 112.21 3kgd h TYR 284 Ca 0.31 -0.28 0.17 0.00 0.05 0.00 0.00 58.73 58.98 3kgd h TYR 284 Cb 0.49 -0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.13 3kgd h TYR 284 CO -0.35 1.29 0.61 1.25 -1.05 0.00 0.00 178.16 179.90 3kgd h LEU 285 N -0.54 0.69 -0.47 3.88 5.85 -1.93 -1.75 115.31 121.03 3kgd h LEU 285 Ca -0.14 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3kgd h LEU 285 Cb 1.50 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 3kgd h LEU 285 CO 0.09 0.30 0.04 0.00 -0.34 0.00 0.00 178.44 178.52 3kgd h ALA 286 N 1.61 0.48 0.00 1.25 0.00 -1.45 -0.54 119.26 120.61 3kgd h ALA 286 Ca 0.51 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.52 3kgd h ALA 286 Cb 0.87 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kgd h ALA 286 CO -0.27 -0.36 -0.14 0.38 0.00 0.00 0.00 179.25 178.86 3kgd h ASP 287 N 0.16 0.00 0.64 0.00 3.04 -1.45 -2.78 116.42 116.03 3kgd h ASP 287 Ca 0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.03 3kgd h ASP 287 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 3kgd h ASP 287 CO -0.36 0.14 -0.27 0.00 -2.04 0.00 0.00 179.24 176.70 3kgd n GLN 288 N -3.32 0.11 0.03 4.15 6.02 -0.28 -3.50 117.38 120.59 3kgd n GLN 288 Ca -0.00 -0.05 0.11 0.00 -0.01 0.00 0.00 57.00 57.05 3kgd n GLN 288 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.13 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 -1.40 0.59 0.03 1.08 4.77 -0.78 -4.48 117.00 116.82 3kgd n LEU 289 Ca 0.07 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3kgd n LEU 289 Cb 0.33 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 3kgd n LEU 289 CO 0.31 0.01 0.82 0.58 -1.33 0.00 0.00 177.39 177.77 3kgd h VAL 290 N 0.00 0.80 0.08 4.08 2.07 -1.59 -1.53 116.25 120.16 3kgd h VAL 290 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kgd h VAL 290 Cb 0.79 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3kgd h VAL 290 CO 0.00 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.48 3kgd h LEU 291 N -0.11 -0.09 -0.74 2.57 3.38 -1.80 -0.66 115.31 117.85 3kgd h LEU 291 Ca 0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3kgd h LEU 291 Cb 0.17 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kgd h LEU 291 CO -0.10 0.18 0.26 1.55 0.09 0.00 0.00 178.44 180.42 3kgd h PRO 292 N -0.37 1.14 -0.65 1.13 0.13 -1.78 -1.07 132.00 130.52 3kgd h PRO 292 Ca -0.01 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3kgd h PRO 292 Cb 0.32 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.24 3kgd h PRO 292 CO 0.02 0.95 0.19 0.52 -0.23 0.00 0.00 178.00 179.45 3kgd h MET 293 N 1.09 1.00 -0.91 0.86 2.86 -1.25 -1.54 114.93 117.04 3kgd h MET 293 Ca 0.24 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3kgd h MET 293 Cb 0.27 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3kgd h MET 293 CO -0.01 0.87 0.54 0.00 1.06 0.00 0.00 176.91 179.37 3kgd h ALA 294 N 1.24 1.24 -0.12 6.32 0.00 -0.71 -0.84 119.26 126.39 3kgd h ALA 294 Ca 0.21 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3kgd h ALA 294 Cb 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kgd h ALA 294 CO -0.01 0.65 -0.37 -0.07 0.00 0.00 0.00 179.25 179.45 3kgd h LEU 295 N 1.26 0.27 -0.66 0.00 3.38 -0.89 -1.51 115.31 117.15 3kgd h LEU 295 Ca 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3kgd h LEU 295 Cb -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3kgd h LEU 295 CO -0.06 0.62 0.00 0.00 0.09 0.00 0.00 178.44 179.09 3kgd h ALA 296 N 1.40 1.00 0.00 1.53 0.00 -0.72 -3.47 119.26 118.99 3kgd h ALA 296 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kgd h ALA 296 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kgd h ALA 296 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3kgd n GLY 297 N 0.55 0.79 3.54 0.00 0.00 -0.37 -4.89 105.19 104.81 3kgd n GLY 297 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3kgd n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgd s ALA 298 N -3.09 -1.88 0.00 4.61 0.00 -1.12 -4.85 121.76 115.44 3kgd s ALA 298 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.27 3kgd s ALA 298 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3kgd s ALA 298 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3kgd n GLY 299 N 0.26 3.45 3.42 0.00 0.00 -1.26 -4.45 105.19 106.61 3kgd n GLY 299 Ca -0.10 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.35 1.14 0.16 1.61 -1.05 -0.68 -1.37 118.70 116.17 3kgd s GLU 300 Ca 0.00 -0.27 -0.14 0.00 -0.15 0.00 0.00 54.97 54.40 3kgd s GLU 300 Cb 0.00 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3kgd s GLU 300 CO 0.00 -0.44 0.41 -0.59 0.95 0.00 0.00 175.26 175.59 3kgd s PHE 301 N -2.84 0.02 0.10 4.83 -0.12 -0.55 -0.96 117.98 118.45 3kgd s PHE 301 Ca -0.03 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.52 3kgd s PHE 301 Cb -0.00 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 3kgd s PHE 301 CO -0.05 -0.79 0.06 0.95 -0.05 0.00 0.00 175.22 175.34 3kgd s THR 302 N -3.88 4.37 -0.04 -4.49 -4.23 -1.22 -0.38 115.64 105.76 3kgd s THR 302 Ca 0.10 -0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 59.63 3kgd s THR 302 Cb 0.01 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.74 3kgd s THR 302 CO -0.05 0.08 0.18 0.54 -0.54 0.00 0.00 174.62 174.83 3kgd s VAL 303 N -1.44 0.04 0.16 2.29 0.11 -0.05 -3.75 120.40 117.76 3kgd s VAL 303 Ca 0.29 -0.33 -0.10 0.00 -2.93 0.00 0.00 61.98 58.91 3kgd s VAL 303 Cb -0.12 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 3kgd s VAL 303 CO 0.21 -0.18 1.55 0.00 -3.33 0.00 0.00 175.10 173.35 3kgd h ALA 304 N 5.04 0.68 -2.61 1.54 0.00 -1.84 0.62 119.26 122.69 3kgd h ALA 304 Ca -0.28 -0.40 -0.55 0.00 0.00 0.00 0.00 54.91 53.69 3kgd h ALA 304 Cb 1.19 -0.17 -0.39 0.00 0.00 0.00 0.00 17.79 18.43 3kgd h ALA 304 CO 0.40 0.68 -0.81 -1.01 0.00 0.00 0.00 179.25 178.50 3kgd s HIS 305 N -4.66 0.49 0.04 0.00 3.76 -1.26 -4.56 115.29 109.10 3kgd s HIS 305 Ca -0.11 -1.29 -0.34 0.00 -0.15 0.00 0.00 55.06 53.17 3kgd s HIS 305 Cb 0.12 -0.86 -0.13 0.00 1.11 0.00 0.00 32.58 32.82 3kgd s HIS 305 CO 0.87 -0.84 1.72 -2.30 -0.85 0.00 0.00 174.74 173.34 3kgd n PRO 306 N 4.50 2.14 -2.44 8.40 -0.02 -1.26 -4.93 135.00 141.38 3kgd n PRO 306 Ca 0.06 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 62.08 3kgd n PRO 306 Cb 0.39 -2.58 0.06 0.00 -0.02 0.00 0.00 33.50 31.35 3kgd n PRO 306 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kgd s SER 307 N 2.41 4.99 0.17 2.55 1.04 -1.26 -4.93 113.70 118.67 3kgd s SER 307 Ca 0.86 0.17 -0.14 0.00 0.48 0.00 0.00 55.95 57.31 3kgd s SER 307 Cb -0.69 -0.91 0.12 0.00 0.10 0.00 0.00 66.02 64.64 3kgd s SER 307 CO 0.45 -1.40 1.76 0.00 0.98 0.00 0.00 173.24 175.02 3kgd h HIS 309 N 0.35 1.26 -0.09 0.00 3.86 -1.97 0.66 115.15 119.21 3kgd h HIS 309 Ca 0.21 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3kgd h HIS 309 Cb 0.18 -0.42 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 3kgd h HIS 309 CO -0.14 0.82 0.06 1.25 0.86 0.00 0.00 177.93 180.77 3kgd h LEU 310 N 1.34 0.11 -1.05 2.43 5.85 -1.79 0.39 115.31 122.59 3kgd h LEU 310 Ca 0.36 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 3kgd h LEU 310 Cb -0.11 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3kgd h LEU 310 CO -0.07 0.10 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.89 3kgd h LEU 311 N 0.11 0.47 -0.17 2.25 3.38 -0.95 -0.81 115.31 119.58 3kgd h LEU 311 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kgd h LEU 311 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kgd h LEU 311 CO -0.01 0.66 0.06 0.74 0.09 0.00 0.00 178.44 179.98 3kgd h THR 312 N 0.44 1.18 -0.59 0.22 2.02 -0.59 -1.44 112.91 114.15 3kgd h THR 312 Ca 0.08 -0.56 -0.09 0.00 0.77 0.00 0.00 66.41 66.60 3kgd h THR 312 Cb 0.55 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3kgd h THR 312 CO 0.04 0.17 0.01 0.78 0.37 0.00 0.00 175.52 176.89 3kgd h ASN 313 N 0.10 1.00 -0.45 4.18 2.35 -0.60 -1.19 115.58 120.98 3kgd h ASN 313 Ca 0.06 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3kgd h ASN 313 Cb 0.22 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3kgd h ASN 313 CO -0.00 1.04 0.16 0.40 -1.65 0.00 0.00 177.43 177.38 3kgd h ILE 314 N 0.94 0.86 -0.66 2.81 2.04 -1.05 0.26 117.51 122.71 3kgd h ILE 314 Ca 0.17 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3kgd h ILE 314 Cb 0.53 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3kgd h ILE 314 CO 0.03 0.06 0.28 0.00 0.00 0.00 0.00 178.15 178.51 3kgd h ALA 315 N 1.29 0.85 -0.40 1.87 0.00 -0.67 -0.91 119.26 121.30 3kgd h ALA 315 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kgd h ALA 315 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kgd h ALA 315 CO -0.21 0.46 -0.06 0.28 0.00 0.00 0.00 179.25 179.72 3kgd h VAL 316 N 0.92 1.27 -0.84 0.00 2.07 -0.89 -2.79 116.25 115.99 3kgd h VAL 316 Ca 0.22 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3kgd h VAL 316 Cb 0.19 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3kgd h VAL 316 CO -0.02 0.37 0.55 0.58 0.02 0.00 0.00 177.57 179.08 3kgd h VAL 317 N 0.56 1.20 0.00 2.57 2.07 -0.70 -1.66 116.25 120.28 3kgd h VAL 317 Ca 0.11 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3kgd h VAL 317 Cb 0.56 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3kgd h VAL 317 CO 0.03 0.21 0.00 -0.33 0.02 0.00 0.00 177.57 177.50 3kgd h GLU 318 N 1.12 0.00 -0.00 1.57 5.08 -0.95 0.12 114.58 121.52 3kgd h GLU 318 Ca 0.31 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.50 3kgd h GLU 318 Cb -0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3kgd h GLU 318 CO -0.08 0.00 -0.81 0.00 -1.00 0.00 0.00 179.01 177.12 3kgd h ARG 319 N 0.00 0.08 0.00 2.33 2.47 -1.04 -3.37 114.38 114.84 3kgd h ARG 319 Ca 0.00 -0.09 -0.18 0.00 -1.26 0.00 0.00 59.98 58.46 3kgd h ARG 319 Cb 0.32 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 3kgd h ARG 319 CO 0.00 0.85 -2.03 1.19 0.56 0.00 0.00 179.97 180.53 3kgd n PHE 320 N -3.64 0.00 -4.28 3.04 3.01 -0.68 -5.00 117.46 109.91 3kgd n PHE 320 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.21 3kgd n PHE 320 Cb 0.77 -0.66 -0.12 0.00 -0.01 0.00 0.00 39.48 39.45 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 -4.84 2.29 -0.12 4.37 1.43 -0.06 -5.02 118.68 116.74 3kgd s LEU 321 Ca -0.08 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3kgd s LEU 321 Cb 0.08 -0.83 -0.10 0.00 0.03 0.00 0.00 46.19 45.37 3kgd s LEU 321 CO 0.73 0.04 2.98 -2.65 0.23 0.00 0.00 176.35 177.68 3kgd n PRO 322 N 1.14 1.86 -4.75 1.29 -0.02 -1.26 -4.51 135.00 128.75 3kgd n PRO 322 Ca -0.20 -1.12 -0.32 0.00 -2.02 0.00 0.00 63.50 59.84 3kgd n PRO 322 Cb 0.54 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 3kgd n PRO 322 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kgd s VAL 323 N -0.17 3.15 0.01 -1.45 1.01 -1.26 -5.10 120.40 116.59 3kgd s VAL 323 Ca 0.49 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3kgd s VAL 323 Cb 0.26 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3kgd s VAL 323 CO -0.05 0.50 -0.15 -0.13 0.00 0.00 0.00 175.10 175.27 3kgd s ARG 324 N -1.02 1.13 -0.05 2.72 1.81 -1.26 -4.59 118.95 117.69 3kgd s ARG 324 Ca 0.13 -0.64 -0.06 0.00 -1.72 0.00 0.00 55.73 53.44 3kgd s ARG 324 Cb -0.11 -1.13 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 3kgd s ARG 324 CO 0.03 0.30 0.20 -0.06 -0.68 0.00 0.00 175.30 175.09 3kgd s PHE 325 N -0.55 3.59 -0.14 -0.53 0.40 -1.26 -0.37 117.98 119.11 3kgd s PHE 325 Ca 0.05 0.52 -0.03 0.00 -0.60 0.00 0.00 56.93 56.86 3kgd s PHE 325 Cb -0.07 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 3kgd s PHE 325 CO 0.00 0.68 -0.03 0.45 0.70 0.00 0.00 175.22 177.02 3kgd s SER 326 N -1.45 4.91 -0.17 1.36 0.15 -0.03 -4.93 113.70 113.54 3kgd s SER 326 Ca 0.22 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.82 3kgd s SER 326 Cb -0.13 -1.70 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 3kgd s SER 326 CO 0.12 0.22 -0.20 -0.76 1.20 0.00 0.00 173.24 173.81 3kgd s LEU 327 N 0.07 2.09 -0.12 3.45 1.02 -1.26 -1.16 118.68 122.78 3kgd s LEU 327 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.53 3kgd s LEU 327 Cb -0.13 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.65 3kgd s LEU 327 CO 0.02 0.01 -0.12 -0.63 0.02 0.00 0.00 176.35 175.66 3kgd s ILE 328 N 1.21 1.32 -0.12 -0.59 1.01 -0.47 -4.95 121.20 118.61 3kgd s ILE 328 Ca 0.02 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 3kgd s ILE 328 Cb -0.13 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3kgd s ILE 328 CO -0.11 0.41 0.57 -0.70 0.00 0.00 0.00 174.94 175.11 3kgd s GLU 329 N 1.40 4.34 -0.09 2.79 -6.30 -1.26 -0.30 118.70 119.27 3kgd s GLU 329 Ca 0.01 0.59 -0.01 0.00 -2.50 0.00 0.00 54.97 53.06 3kgd s GLU 329 Cb -0.13 -3.47 0.03 0.00 0.00 0.00 0.00 34.13 30.55 3kgd s GLU 329 CO -0.07 0.04 -0.03 0.99 0.02 0.00 0.00 175.26 176.21 3kgd s THR 330 N 0.96 0.67 -1.43 -1.70 2.01 0.34 -4.90 115.64 111.59 3kgd s THR 330 Ca 0.29 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 3kgd s THR 330 Cb -0.16 -0.76 0.09 0.00 0.01 0.00 0.00 72.50 71.68 3kgd s THR 330 CO 0.12 0.31 0.65 0.47 -0.69 0.00 0.00 174.62 175.49 3kgd n ASP 331 N 5.03 -3.93 0.00 3.53 8.00 -1.26 -2.27 116.55 125.65 3kgd n ASP 331 Ca -0.10 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3kgd n ASP 331 Cb 0.50 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 3kgd n ASP 331 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kgd n GLY 332 N -1.33 0.59 3.25 0.44 0.00 -1.26 -5.06 105.19 101.82 3kgd n GLY 332 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3kgd n GLY 332 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kgd s VAL 333 N -2.31 1.36 -0.16 1.61 -7.23 -0.96 -4.71 120.40 108.00 3kgd s VAL 333 Ca 0.00 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3kgd s VAL 333 Cb 0.00 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 3kgd s VAL 333 CO 0.00 -0.46 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.38 3kgd s THR 334 N -2.30 3.47 -0.17 5.32 2.01 0.21 -0.50 115.64 123.67 3kgd s THR 334 Ca 0.11 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 3kgd s THR 334 Cb -0.04 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3kgd s THR 334 CO 0.03 0.48 0.60 -0.60 -0.69 0.00 0.00 174.62 174.44 3kgd s ARG 335 N 0.67 4.25 -0.23 4.92 3.52 0.59 -0.87 118.95 131.80 3kgd s ARG 335 Ca -0.04 0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 56.10 3kgd s ARG 335 Cb -0.15 -3.54 -0.02 0.00 -1.56 0.00 0.00 34.95 29.69 3kgd s ARG 335 CO 0.02 -0.13 -0.00 0.08 -0.81 0.00 0.00 175.30 174.46 3kgd s VAL 336 N 1.54 3.74 0.07 7.11 1.01 0.48 -1.36 120.40 132.99 3kgd s VAL 336 Ca 0.28 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3kgd s VAL 336 Cb -0.16 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3kgd s VAL 336 CO 0.11 0.40 -0.06 -0.94 0.00 0.00 0.00 175.10 174.61 3kgd s SER 337 N 1.46 0.91 0.18 3.32 1.04 -0.31 -1.49 113.70 118.81 3kgd s SER 337 Ca 0.05 -0.84 -0.28 0.00 0.48 0.00 0.00 55.95 55.36 3kgd s SER 337 Cb -0.15 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3kgd s SER 337 CO -0.00 -0.40 0.88 -0.63 0.98 0.00 0.00 173.24 174.07 3kgd s ILE 338 N -2.90 4.30 0.00 -1.02 -1.09 -0.47 -0.85 121.20 119.17 3kgd s ILE 338 Ca 0.03 1.94 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 3kgd s ILE 338 Cb 0.00 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 3kgd s ILE 338 CO -0.04 0.46 0.00 1.21 -1.23 0.00 0.00 174.94 175.34