#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xj6 s LYS 3 N 0.00 3.69 -0.33 1.61 -0.14 -1.26 -4.64 119.74 118.67 2xj6 s LYS 3 Ca 0.00 0.12 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 2xj6 s LYS 3 Cb 0.00 -3.21 0.10 0.00 -1.68 0.00 0.00 37.83 33.04 2xj6 s LYS 3 CO 0.00 0.72 0.08 0.45 -0.76 0.00 0.00 175.35 175.84 2xj6 s SER 4 N -0.99 4.38 0.22 2.83 0.15 0.89 -5.03 113.70 116.15 2xj6 s SER 4 Ca 0.19 -1.92 -0.23 0.00 0.70 0.00 0.00 55.95 54.68 2xj6 s SER 4 Cb -0.14 -1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.84 2xj6 s SER 4 CO 0.08 -0.39 0.79 -0.31 1.20 0.00 0.00 173.24 174.61 2xj6 s TYR 5 N 1.23 3.77 0.67 3.44 2.02 -1.26 -4.58 117.35 122.63 2xj6 s TYR 5 Ca 0.11 1.57 -0.15 0.00 -0.37 0.00 0.00 57.07 58.22 2xj6 s TYR 5 Cb -0.18 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 38.64 2xj6 s TYR 5 CO -0.16 0.39 1.11 -1.25 -1.57 0.00 0.00 175.55 174.07 2xj6 s PRO 6 N -1.64 2.75 0.24 -1.71 0.04 -1.26 -4.99 135.00 128.43 2xj6 s PRO 6 Ca 0.41 1.39 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 2xj6 s PRO 6 Cb -0.20 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2xj6 s PRO 6 CO 0.24 -1.29 1.00 0.99 0.04 0.00 0.00 177.00 177.97 2xj6 s THR 7 N -2.36 3.91 0.16 1.26 2.01 -1.26 -4.89 115.64 114.47 2xj6 s THR 7 Ca 0.67 1.89 0.08 0.00 0.31 0.00 0.00 61.69 64.64 2xj6 s THR 7 Cb -0.21 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 2xj6 s THR 7 CO 0.42 0.44 -0.18 0.68 -0.69 0.00 0.00 174.62 175.29 2xj6 s VAL 8 N -1.06 1.75 0.78 3.82 -7.23 -1.26 -5.03 120.40 112.17 2xj6 s VAL 8 Ca 0.43 -1.89 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 2xj6 s VAL 8 Cb -0.28 -1.80 0.07 0.00 0.56 0.00 0.00 36.38 34.93 2xj6 s VAL 8 CO 0.35 -0.33 1.21 -0.94 -0.31 0.00 0.00 175.10 175.07 2xj6 s SER 9 N -2.64 3.79 0.33 4.85 1.04 -1.26 -4.79 113.70 115.02 2xj6 s SER 9 Ca 0.15 2.36 0.05 0.00 0.48 0.00 0.00 55.95 58.99 2xj6 s SER 9 Cb -0.06 -2.59 0.68 0.00 0.10 0.00 0.00 66.02 64.15 2xj6 s SER 9 CO 0.06 -2.53 1.90 0.00 0.98 0.00 0.00 173.24 173.64 2xj6 h ALA 10 N -0.70 1.67 -0.38 5.32 0.00 -2.00 -0.05 119.26 123.10 2xj6 h ALA 10 Ca -0.47 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2xj6 h ALA 10 Cb 1.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2xj6 h ALA 10 CO 0.47 0.15 0.03 -0.44 0.00 0.00 0.00 179.25 179.46 2xj6 h ASP 11 N 0.85 0.55 -0.29 0.00 3.32 -2.00 -0.05 116.42 118.80 2xj6 h ASP 11 Ca 0.41 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 2xj6 h ASP 11 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2xj6 h ASP 11 CO -0.17 0.61 0.08 0.22 -1.72 0.00 0.00 179.24 178.26 2xj6 h TYR 12 N 0.57 0.48 -0.50 4.55 5.03 -1.41 -2.16 116.97 123.53 2xj6 h TYR 12 Ca 0.12 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.32 2xj6 h TYR 12 Cb 0.32 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2xj6 h TYR 12 CO 0.01 0.51 0.05 1.96 -1.32 0.00 0.00 178.16 179.37 2xj6 h GLN 13 N 0.31 0.80 -0.68 1.82 4.20 -0.65 -1.89 115.11 119.02 2xj6 h GLN 13 Ca 0.09 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.66 2xj6 h GLN 13 Cb 0.26 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 2xj6 h GLN 13 CO -0.00 0.77 0.39 -0.22 -0.67 0.00 0.00 178.83 179.10 2xj6 h LYS 14 N 0.75 0.71 -0.41 1.46 3.64 -0.84 -2.08 116.57 119.81 2xj6 h LYS 14 Ca 0.16 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2xj6 h LYS 14 Cb 0.39 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2xj6 h LYS 14 CO 0.01 0.47 -0.05 0.00 -2.27 0.00 0.00 179.45 177.61 2xj6 h ALA 15 N 1.34 1.14 -0.01 5.00 0.00 -0.86 -1.52 119.26 124.35 2xj6 h ALA 15 Ca 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2xj6 h ALA 15 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2xj6 h ALA 15 CO -0.16 0.55 -0.01 0.28 0.00 0.00 0.00 179.25 179.90 2xj6 h VAL 16 N 0.64 0.96 -0.66 0.00 2.07 -0.97 0.30 116.25 118.60 2xj6 h VAL 16 Ca 0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 2xj6 h VAL 16 Cb 0.47 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2xj6 h VAL 16 CO 0.02 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.59 2xj6 h GLU 17 N -0.02 0.96 -0.24 1.57 4.39 -1.04 0.27 114.58 120.46 2xj6 h GLU 17 Ca 0.01 -0.15 -0.18 0.00 0.34 0.00 0.00 59.36 59.38 2xj6 h GLU 17 Cb 0.03 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2xj6 h GLU 17 CO -0.02 0.77 -0.57 -0.22 -1.16 0.00 0.00 179.01 177.81 2xj6 h LYS 18 N 0.92 0.77 -0.79 2.33 1.63 -1.13 -2.67 116.57 117.63 2xj6 h LYS 18 Ca 0.23 -0.50 -0.05 0.00 -0.85 0.00 0.00 60.65 59.48 2xj6 h LYS 18 Cb 0.14 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 2xj6 h LYS 18 CO -0.03 1.13 0.30 0.00 -3.45 0.00 0.00 179.45 177.40 2xj6 h ALA 19 N 0.77 1.03 -0.28 5.00 0.00 0.02 -1.99 119.26 123.81 2xj6 h ALA 19 Ca 0.01 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2xj6 h ALA 19 Cb 1.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2xj6 h ALA 19 CO 0.12 0.67 0.13 -0.22 0.00 0.00 0.00 179.25 179.95 2xj6 h LYS 20 N 1.15 0.27 -0.27 0.00 3.64 -0.24 0.13 116.57 121.25 2xj6 h LYS 20 Ca 0.26 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2xj6 h LYS 20 Cb 0.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2xj6 h LYS 20 CO -0.02 0.18 0.16 0.87 -2.27 0.00 0.00 179.45 178.37 2xj6 h LYS 21 N 0.28 0.38 -0.34 1.90 1.57 -1.38 -2.00 116.57 116.97 2xj6 h LYS 21 Ca 0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2xj6 h LYS 21 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2xj6 h LYS 21 CO -0.09 0.31 -0.02 0.87 -0.57 0.00 0.00 179.45 179.95 2xj6 h LYS 22 N 0.34 0.54 -0.40 3.15 1.79 -1.07 -2.22 116.57 118.69 2xj6 h LYS 22 Ca 0.10 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2xj6 h LYS 22 Cb 0.04 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2xj6 h LYS 22 CO -0.02 0.59 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.84 2xj6 h LEU 23 N 0.52 0.64 0.32 2.94 3.38 -0.57 -1.26 115.31 121.27 2xj6 h LEU 23 Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2xj6 h LEU 23 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2xj6 h LEU 23 CO 0.01 0.73 -0.23 0.03 0.09 0.00 0.00 178.44 179.08 2xj6 h ARG 24 N 0.62 -0.52 -0.33 1.13 3.08 -0.75 -0.22 114.38 117.40 2xj6 h ARG 24 Ca 0.12 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2xj6 h ARG 24 Cb 0.44 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2xj6 h ARG 24 CO 0.02 -0.35 0.21 0.78 -1.07 0.00 0.00 179.97 179.56 2xj6 h GLY 25 N -0.54 0.47 0.94 0.04 0.00 -1.36 -0.92 103.07 101.70 2xj6 h GLY 25 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2xj6 h GLY 25 CO 0.00 0.18 0.13 -2.75 0.00 0.00 0.00 176.54 174.10 2xj6 h PHE 26 N 0.43 0.35 -0.41 5.60 3.57 -1.17 0.22 116.94 125.53 2xj6 h PHE 26 Ca 0.12 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 2xj6 h PHE 26 Cb -0.03 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2xj6 h PHE 26 CO -0.05 0.32 -0.35 0.82 -2.23 0.00 0.00 178.31 176.83 2xj6 h ILE 27 N 0.29 1.27 0.06 1.41 2.04 -0.93 0.15 117.51 121.79 2xj6 h ILE 27 Ca 0.09 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.43 2xj6 h ILE 27 Cb 0.09 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2xj6 h ILE 27 CO -0.01 0.51 -0.03 0.00 0.00 0.00 0.00 178.15 178.62 2xj6 h ALA 28 N 0.80 -0.08 -0.69 1.87 0.00 -1.13 -1.35 119.26 118.69 2xj6 h ALA 28 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2xj6 h ALA 28 Cb 0.94 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2xj6 h ALA 28 CO 0.09 -0.51 0.45 1.49 0.00 0.00 0.00 179.25 180.77 2xj6 h GLU 29 N -0.15 0.87 -0.00 0.00 4.22 -0.27 -2.71 114.58 116.54 2xj6 h GLU 29 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2xj6 h GLU 29 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2xj6 h GLU 29 CO 0.01 0.58 -0.10 1.63 -2.18 0.00 0.00 179.01 178.95 2xj6 n LYS 30 N -4.63 0.73 -3.08 1.92 4.76 0.01 -4.91 118.16 112.97 2xj6 n LYS 30 Ca 0.06 -0.24 -0.22 0.00 -2.87 0.00 0.00 58.31 55.03 2xj6 n LYS 30 Cb 0.04 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.76 2xj6 n LYS 30 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2xj6 n ARG 31 N -0.92 -4.56 -0.50 1.97 1.74 -0.53 -4.88 116.66 108.98 2xj6 n ARG 31 Ca 0.15 0.82 0.06 0.00 -0.77 0.00 0.00 57.85 58.11 2xj6 n ARG 31 Cb 0.27 -5.66 0.23 0.00 -1.02 0.00 0.00 32.46 26.29 2xj6 n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xj6 h ALA 33 N 1.43 0.86 -0.56 0.00 0.00 -1.90 -0.86 119.26 118.23 2xj6 h ALA 33 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2xj6 h ALA 33 Cb 1.46 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2xj6 h ALA 33 CO 0.25 -0.06 0.26 -1.35 0.00 0.00 0.00 179.25 178.34 2xj6 h PRO 34 N 0.56 0.81 -0.65 0.00 0.11 -1.90 -0.52 132.00 130.41 2xj6 h PRO 34 Ca 0.31 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 2xj6 h PRO 34 Cb 0.29 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 2xj6 h PRO 34 CO -0.24 0.67 0.23 1.25 -0.21 0.00 0.00 178.00 179.71 2xj6 h LEU 35 N 0.76 0.89 -1.13 2.35 5.85 -1.80 -1.38 115.31 120.85 2xj6 h LEU 35 Ca 0.19 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2xj6 h LEU 35 Cb 0.14 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2xj6 h LEU 35 CO -0.02 0.81 -0.25 0.24 -0.34 0.00 0.00 178.44 178.88 2xj6 h MET 36 N 0.94 0.30 -0.05 1.25 2.86 -0.59 -0.78 114.93 118.87 2xj6 h MET 36 Ca 0.22 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2xj6 h MET 36 Cb 0.22 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2xj6 h MET 36 CO -0.01 0.54 0.02 1.25 1.06 0.00 0.00 176.91 179.76 2xj6 h LEU 37 N 0.27 0.07 -0.96 1.22 5.85 -0.62 -1.68 115.31 119.46 2xj6 h LEU 37 Ca 0.04 -0.20 0.19 0.00 0.84 0.00 0.00 57.88 58.75 2xj6 h LEU 37 Cb 0.59 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.50 2xj6 h LEU 37 CO 0.04 0.25 0.55 -0.09 -0.34 0.00 0.00 178.44 178.86 2xj6 h ARG 38 N -0.11 0.67 -0.36 1.25 2.43 -1.14 -0.30 114.38 116.82 2xj6 h ARG 38 Ca 0.02 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2xj6 h ARG 38 Cb 0.21 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2xj6 h ARG 38 CO -0.00 0.45 0.07 1.25 -1.51 0.00 0.00 179.97 180.22 2xj6 h LEU 39 N 0.69 0.57 -0.44 3.80 5.85 -0.71 -0.34 115.31 124.73 2xj6 h LEU 39 Ca 0.55 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2xj6 h LEU 39 Cb 0.87 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2xj6 h LEU 39 CO -0.40 0.67 0.25 0.00 -0.34 0.00 0.00 178.44 178.63 2xj6 h ALA 40 N 0.92 0.56 0.10 1.25 0.00 -0.53 -1.76 119.26 119.79 2xj6 h ALA 40 Ca 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2xj6 h ALA 40 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2xj6 h ALA 40 CO 0.00 0.07 -0.05 2.35 0.00 0.00 0.00 179.25 181.63 2xj6 h TRP 41 N 0.58 -0.12 0.00 0.00 -0.00 -0.97 -2.12 115.95 113.32 2xj6 h TRP 41 Ca 0.16 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.03 2xj6 h TRP 41 Cb 0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.23 2xj6 h TRP 41 CO -0.03 0.10 -0.07 0.45 -0.00 0.00 0.00 178.44 178.89 2xj6 h HIS 42 N -0.33 0.00 -0.26 2.65 3.86 -1.04 0.31 115.15 120.33 2xj6 h HIS 42 Ca -0.01 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 2xj6 h HIS 42 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 2xj6 h HIS 42 CO -0.01 0.07 -0.28 0.77 0.86 0.00 0.00 177.93 179.35 2xj6 h SER 43 N 0.00 0.69 0.60 2.45 0.02 -0.95 -3.34 113.55 113.01 2xj6 h SER 43 Ca -0.00 -0.48 -0.28 0.00 -0.84 0.00 0.00 61.79 60.19 2xj6 h SER 43 Cb 0.25 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2xj6 h SER 43 CO 0.01 1.03 -1.35 0.00 -1.14 0.00 0.00 176.83 175.38 2xj6 h ALA 44 N 0.68 0.23 0.00 3.77 0.00 -0.61 -3.12 119.26 120.21 2xj6 h ALA 44 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2xj6 h ALA 44 Cb 0.85 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2xj6 h ALA 44 CO 0.07 1.10 0.00 0.41 0.00 0.00 0.00 179.25 180.83 2xj6 n GLY 45 N 1.56 -0.72 0.60 0.00 0.00 0.98 -2.40 105.19 105.21 2xj6 n GLY 45 Ca -0.11 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.95 2xj6 n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xj6 n THR 46 N -1.32 0.31 -2.38 2.61 -2.24 -1.26 -4.68 114.28 105.31 2xj6 n THR 46 Ca 0.05 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 2xj6 n THR 46 Cb 0.10 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 2xj6 n THR 46 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2xj6 s PHE 47 N -1.69 3.44 -0.26 4.78 5.36 -1.01 -3.95 117.98 124.65 2xj6 s PHE 47 Ca 0.30 1.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.82 2xj6 s PHE 47 Cb 0.16 -3.41 0.06 0.00 -0.34 0.00 0.00 43.02 39.49 2xj6 s PHE 47 CO 0.23 -1.03 -0.08 0.34 -1.46 0.00 0.00 175.22 173.21 2xj6 s ASP 48 N -0.35 4.29 0.22 6.13 2.15 -0.55 -3.02 116.67 125.53 2xj6 s ASP 48 Ca 0.49 -1.38 -0.08 0.00 0.43 0.00 0.00 52.55 52.00 2xj6 s ASP 48 Cb -0.33 -1.44 0.18 0.00 -0.30 0.00 0.00 42.92 41.02 2xj6 s ASP 48 CO 0.41 -0.22 1.84 0.07 -0.17 0.00 0.00 175.17 177.10 2xj6 h LYS 49 N 7.82 1.14 -0.79 4.34 2.10 -0.44 0.28 116.57 131.02 2xj6 h LYS 49 Ca -0.18 -0.13 0.06 0.00 -2.00 0.00 0.00 60.65 58.41 2xj6 h LYS 49 Cb 1.05 -0.23 -0.06 0.00 -0.90 0.00 0.00 32.23 32.09 2xj6 h LYS 49 CO 0.45 0.83 0.47 0.78 -2.00 0.00 0.00 179.45 179.98 2xj6 h GLY 50 N 1.14 1.18 -0.51 0.07 0.00 -1.85 -2.71 103.07 100.39 2xj6 h GLY 50 Ca 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2xj6 h GLY 50 CO -0.05 0.21 -0.64 -1.30 0.00 0.00 0.00 176.54 174.76 2xj6 n THR 51 N -4.69 0.00 -2.95 4.70 -2.24 -1.12 -4.99 114.28 102.99 2xj6 n THR 51 Ca 0.11 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.49 2xj6 n THR 51 Cb 0.19 1.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.58 2xj6 n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2xj6 n LYS 52 N -0.67 -4.47 -4.24 -0.78 5.02 0.96 -5.00 118.16 108.98 2xj6 n LYS 52 Ca 0.06 0.92 -0.25 0.00 -2.02 0.00 0.00 58.31 57.02 2xj6 n LYS 52 Cb 0.37 -5.75 -0.07 0.00 -0.02 0.00 0.00 35.03 29.55 2xj6 n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2xj6 s THR 53 N -3.16 3.62 0.01 -0.18 -4.23 -1.17 -4.95 115.64 105.58 2xj6 s THR 53 Ca 0.27 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2xj6 s THR 53 Cb -0.12 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2xj6 s THR 53 CO 0.33 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2xj6 n GLY 54 N -0.52 -2.04 0.00 3.99 0.00 -1.26 -1.49 105.19 103.87 2xj6 n GLY 54 Ca -0.08 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2xj6 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xj6 n GLY 55 N -0.31 0.93 2.95 -0.02 0.00 -1.25 -4.63 105.19 102.85 2xj6 n GLY 55 Ca 0.00 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2xj6 n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2xj6 n PRO 56 N 0.38 2.52 -1.60 1.61 -0.04 -1.18 -4.57 135.00 132.12 2xj6 n PRO 56 Ca 0.00 -2.49 -0.01 0.00 -0.04 0.00 0.00 63.50 60.96 2xj6 n PRO 56 Cb 0.00 -3.24 0.08 0.00 -0.04 0.00 0.00 33.50 30.30 2xj6 n PRO 56 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2xj6 n PHE 57 N 7.02 0.73 -0.41 0.54 3.72 -1.26 -4.74 117.46 123.06 2xj6 n PHE 57 Ca 0.51 -1.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.49 2xj6 n PHE 57 Cb 0.40 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 2xj6 n PHE 57 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xj6 n GLY 58 N -0.40 1.55 0.17 1.37 0.00 -1.26 -0.67 105.19 105.96 2xj6 n GLY 58 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2xj6 n GLY 58 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2xj6 h THR 59 N 0.00 0.00 0.00 2.61 1.35 -1.86 -3.19 112.91 111.82 2xj6 h THR 59 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2xj6 h THR 59 Cb 0.00 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2xj6 h THR 59 CO 0.00 0.00 0.00 -0.29 -0.25 0.00 0.00 175.52 174.98 2xj6 h ILE 60 N 0.00 0.00 0.00 6.82 2.10 -1.92 -0.92 117.51 123.58 2xj6 h ILE 60 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2xj6 h ILE 60 Cb 0.70 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.50 2xj6 h ILE 60 CO 0.00 0.00 0.00 2.29 -1.08 0.00 0.00 178.15 179.36 2xj6 n LYS 61 N -2.86 0.13 -1.98 2.19 2.85 -1.21 -4.03 118.16 113.24 2xj6 n LYS 61 Ca -0.01 0.13 -0.42 0.00 -1.05 0.00 0.00 58.31 56.96 2xj6 n LYS 61 Cb 0.15 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 2xj6 n LYS 61 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2xj6 s HIS 62 N -3.06 3.09 0.40 5.58 3.76 -0.35 -4.88 115.29 119.83 2xj6 s HIS 62 Ca 0.12 0.72 0.11 0.00 -0.15 0.00 0.00 55.06 55.86 2xj6 s HIS 62 Cb 0.15 -3.87 0.91 0.00 1.11 0.00 0.00 32.58 30.88 2xj6 s HIS 62 CO 0.54 -3.17 1.94 -1.35 -0.85 0.00 0.00 174.74 171.86 2xj6 h PRO 63 N 6.66 0.55 -0.51 8.40 0.11 -1.88 -0.14 132.00 145.19 2xj6 h PRO 63 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2xj6 h PRO 63 Cb 1.21 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2xj6 h PRO 63 CO 0.89 0.36 0.24 0.00 -0.21 0.00 0.00 178.00 179.29 2xj6 h ALA 64 N 1.64 1.47 0.15 -0.75 0.00 -1.93 -1.19 119.26 118.65 2xj6 h ALA 64 Ca 0.33 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.85 2xj6 h ALA 64 Cb 0.54 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2xj6 h ALA 64 CO -0.11 0.42 -1.28 1.49 0.00 0.00 0.00 179.25 179.77 2xj6 h GLU 65 N 0.71 0.32 -0.14 0.00 4.81 -1.34 -3.21 114.58 115.73 2xj6 h GLU 65 Ca 0.18 -0.54 0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2xj6 h GLU 65 Cb 0.08 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2xj6 h GLU 65 CO -0.02 1.26 0.10 -0.07 -0.73 0.00 0.00 179.01 179.55 2xj6 h LEU 66 N 0.09 0.00 -0.45 1.64 3.38 -0.85 -1.39 115.31 117.73 2xj6 h LEU 66 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2xj6 h LEU 66 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2xj6 h LEU 66 CO 0.22 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2xj6 h ALA 67 N 1.92 1.00 -2.18 1.53 0.00 -1.22 -3.42 119.26 116.90 2xj6 h ALA 67 Ca 0.07 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.38 2xj6 h ALA 67 Cb 0.27 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.14 2xj6 h ALA 67 CO -0.00 0.00 0.55 0.72 0.00 0.00 0.00 179.25 180.51 2xj6 n HIS 68 N -2.42 1.96 0.22 0.00 8.25 -0.52 -4.84 115.22 117.87 2xj6 n HIS 68 Ca 0.03 0.48 0.07 0.00 -0.26 0.00 0.00 57.72 58.04 2xj6 n HIS 68 Cb 0.34 -2.42 0.52 0.00 1.12 0.00 0.00 29.99 29.55 2xj6 n HIS 68 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2xj6 h SER 69 N 4.15 0.00 -0.05 0.41 4.64 -1.89 0.18 113.55 120.99 2xj6 h SER 69 Ca -0.45 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2xj6 h SER 69 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2xj6 h SER 69 CO 0.75 0.21 0.05 0.00 -0.87 0.00 0.00 176.83 176.97 2xj6 h ALA 70 N 1.79 1.76 -0.44 5.18 0.00 -1.94 -2.09 119.26 123.52 2xj6 h ALA 70 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xj6 h ALA 70 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2xj6 h ALA 70 CO 0.03 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.30 2xj6 n ASN 71 N -4.08 2.89 -4.64 0.00 3.02 0.64 -4.97 115.26 108.11 2xj6 n ASN 71 Ca -0.02 -2.16 -0.48 0.00 -0.03 0.00 0.00 54.58 51.89 2xj6 n ASN 71 Cb 0.14 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 2xj6 n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2xj6 n ASN 72 N 0.73 2.54 0.00 6.41 3.02 -0.79 -1.25 115.26 125.92 2xj6 n ASN 72 Ca 0.16 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.81 2xj6 n ASN 72 Cb 0.52 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 2xj6 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2xj6 n GLY 73 N 3.09 2.34 0.09 7.41 0.00 -1.26 -4.81 105.19 112.06 2xj6 n GLY 73 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2xj6 n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xj6 n LEU 74 N 0.00 0.65 0.07 0.99 4.77 -0.38 -2.42 117.00 120.68 2xj6 n LEU 74 Ca 0.00 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 2xj6 n LEU 74 Cb 0.00 -0.41 0.49 0.00 -2.33 0.00 0.00 43.42 41.17 2xj6 n LEU 74 CO 0.00 -0.25 1.14 -2.24 -1.33 0.00 0.00 177.39 174.71 2xj6 h ASP 75 N 0.00 0.33 -0.45 -1.43 2.03 -1.89 -1.31 116.42 113.70 2xj6 h ASP 75 Ca 0.00 -0.01 0.04 0.00 -0.73 0.00 0.00 57.03 56.34 2xj6 h ASP 75 Cb 0.60 -0.08 -0.04 0.00 -0.83 0.00 0.00 39.33 38.98 2xj6 h ASP 75 CO 0.00 0.24 0.20 0.40 -1.03 0.00 0.00 179.24 179.05 2xj6 h ILE 76 N 0.39 0.93 -0.14 4.15 2.04 -1.88 -0.10 117.51 122.90 2xj6 h ILE 76 Ca 0.12 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2xj6 h ILE 76 Cb 0.00 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2xj6 h ILE 76 CO -0.03 0.07 0.09 0.00 0.00 0.00 0.00 178.15 178.29 2xj6 h ALA 77 N 1.26 0.18 -0.32 1.87 0.00 -1.38 -0.60 119.26 120.28 2xj6 h ALA 77 Ca 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2xj6 h ALA 77 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2xj6 h ALA 77 CO -0.16 -0.34 0.19 0.28 0.00 0.00 0.00 179.25 179.22 2xj6 h VAL 78 N 0.19 1.11 -0.37 0.00 2.07 -1.11 -2.40 116.25 115.74 2xj6 h VAL 78 Ca 0.05 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.33 2xj6 h VAL 78 Cb -0.02 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2xj6 h VAL 78 CO -0.01 0.11 0.24 -0.09 0.02 0.00 0.00 177.57 177.83 2xj6 h ARG 79 N 0.41 0.47 -0.76 1.57 2.43 -0.84 -2.44 114.38 115.21 2xj6 h ARG 79 Ca 0.11 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 2xj6 h ARG 79 Cb 0.01 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 2xj6 h ARG 79 CO -0.02 0.31 0.51 -0.07 -1.51 0.00 0.00 179.97 179.18 2xj6 h LEU 80 N 0.48 0.48 0.00 3.80 3.38 -0.80 -2.64 115.31 120.02 2xj6 h LEU 80 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2xj6 h LEU 80 Cb -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2xj6 h LEU 80 CO -0.04 0.26 -0.58 0.18 0.09 0.00 0.00 178.44 178.34 2xj6 n LEU 81 N -4.50 0.71 -0.15 1.67 4.77 -0.93 -4.41 117.00 114.16 2xj6 n LEU 81 Ca 0.14 0.25 -0.08 0.00 -0.03 0.00 0.00 56.01 56.29 2xj6 n LEU 81 Cb 0.47 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2xj6 n LEU 81 CO 0.32 -0.06 0.97 -0.08 -1.33 0.00 0.00 177.39 177.21 2xj6 h GLU 82 N 0.00 0.63 -0.65 3.23 4.57 -1.06 0.39 114.58 121.69 2xj6 h GLU 82 Ca 0.00 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.16 2xj6 h GLU 82 Cb 0.74 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 2xj6 h GLU 82 CO 0.00 0.54 0.33 -1.35 -1.18 0.00 0.00 179.01 177.35 2xj6 h PRO 83 N 0.56 0.58 -0.47 0.92 0.11 -1.77 -1.62 132.00 130.30 2xj6 h PRO 83 Ca 0.15 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.09 2xj6 h PRO 83 Cb 0.12 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2xj6 h PRO 83 CO -0.02 0.38 -0.22 1.25 -0.21 0.00 0.00 178.00 179.18 2xj6 h LEU 84 N 0.59 1.01 -1.52 2.35 5.85 -1.67 -2.72 115.31 119.20 2xj6 h LEU 84 Ca 0.31 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2xj6 h LEU 84 Cb 0.27 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2xj6 h LEU 84 CO -0.23 1.18 0.36 0.50 -0.34 0.00 0.00 178.44 179.91 2xj6 h LYS 85 N 0.85 0.60 0.00 1.25 1.63 -0.61 -0.49 116.57 119.80 2xj6 h LYS 85 Ca 0.11 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2xj6 h LYS 85 Cb 0.80 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2xj6 h LYS 85 CO 0.07 0.40 0.00 0.00 -3.45 0.00 0.00 179.45 176.47 2xj6 h ALA 86 N 1.69 1.00 0.00 5.00 0.00 -0.98 0.58 119.26 126.55 2xj6 h ALA 86 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2xj6 h ALA 86 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2xj6 h ALA 86 CO -0.06 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.58 2xj6 n GLU 87 N -2.55 0.13 -3.23 0.00 1.02 -0.19 -4.21 120.64 111.61 2xj6 n GLU 87 Ca 0.01 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.92 2xj6 n GLU 87 Cb 0.22 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 2xj6 n GLU 87 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2xj6 n PHE 88 N -1.43 1.49 0.27 -0.32 3.72 0.20 -4.93 117.46 116.46 2xj6 n PHE 88 Ca 0.09 -3.84 0.13 0.00 -0.05 0.00 0.00 57.45 53.78 2xj6 n PHE 88 Cb 0.30 -0.44 0.79 0.00 -0.94 0.00 0.00 39.48 39.18 2xj6 n PHE 88 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2xj6 h PRO 89 N 3.79 0.00 0.00 -1.08 0.13 -1.73 -1.62 132.00 131.49 2xj6 h PRO 89 Ca 0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 2xj6 h PRO 89 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2xj6 h PRO 89 CO 0.63 0.06 -0.30 0.97 -0.23 0.00 0.00 178.00 179.13 2xj6 h ILE 90 N 0.00 0.81 -3.92 -3.56 2.10 -1.91 -3.44 117.51 107.58 2xj6 h ILE 90 Ca -0.00 -1.24 -0.48 0.00 1.08 0.00 0.00 64.86 64.22 2xj6 h ILE 90 Cb 0.15 1.76 -0.00 0.00 -1.09 0.00 0.00 36.82 37.64 2xj6 h ILE 90 CO 0.01 0.30 0.38 -0.76 -1.08 0.00 0.00 178.15 177.00 2xj6 s LEU 91 N -7.18 4.26 0.58 2.19 1.43 -0.61 -5.04 118.68 114.30 2xj6 s LEU 91 Ca -0.01 1.95 -0.18 0.00 -1.03 0.00 0.00 54.13 54.86 2xj6 s LEU 91 Cb 0.12 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 2xj6 s LEU 91 CO 0.66 -0.26 1.13 -0.94 0.23 0.00 0.00 176.35 177.17 2xj6 s SER 92 N -1.55 5.52 0.39 2.29 1.04 -1.26 -4.92 113.70 115.21 2xj6 s SER 92 Ca 0.53 2.15 0.08 0.00 0.48 0.00 0.00 55.95 59.19 2xj6 s SER 92 Cb -0.21 -2.58 0.81 0.00 0.10 0.00 0.00 66.02 64.14 2xj6 s SER 92 CO 0.26 -1.35 1.98 1.88 0.98 0.00 0.00 173.24 176.99 2xj6 h TYR 93 N 0.89 0.41 0.16 5.02 -1.99 -1.93 -1.56 116.97 117.97 2xj6 h TYR 93 Ca -0.49 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.23 2xj6 h TYR 93 Cb 1.26 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.84 2xj6 h TYR 93 CO 0.52 0.37 -0.24 0.00 -0.00 0.00 0.00 178.16 178.80 2xj6 h ALA 94 N 1.67 -0.44 -0.43 3.88 0.00 -1.85 -0.28 119.26 121.81 2xj6 h ALA 94 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2xj6 h ALA 94 Cb 0.16 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2xj6 h ALA 94 CO -0.00 -0.79 0.25 -0.44 0.00 0.00 0.00 179.25 178.27 2xj6 h ASP 95 N -0.47 0.52 -0.52 0.00 3.32 -1.74 -2.79 116.42 114.73 2xj6 h ASP 95 Ca 0.02 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.03 2xj6 h ASP 95 Cb 0.47 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2xj6 h ASP 95 CO -0.11 0.43 0.32 0.15 -1.72 0.00 0.00 179.24 178.31 2xj6 h PHE 96 N 0.57 0.59 -0.39 4.55 3.57 -0.92 0.12 116.94 125.02 2xj6 h PHE 96 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 2xj6 h PHE 96 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2xj6 h PHE 96 CO -0.03 0.34 -0.35 1.88 -2.23 0.00 0.00 178.31 177.92 2xj6 h TYR 97 N 0.63 1.10 -0.25 0.41 0.05 -1.08 -0.79 116.97 117.03 2xj6 h TYR 97 Ca 0.21 -0.31 -0.11 0.00 0.05 0.00 0.00 58.73 58.56 2xj6 h TYR 97 Cb 0.01 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.50 2xj6 h TYR 97 CO -0.06 1.13 -0.32 1.96 -1.05 0.00 0.00 178.16 179.82 2xj6 h GLN 98 N 0.76 0.53 -0.62 4.88 1.08 -1.19 -2.16 115.11 118.39 2xj6 h GLN 98 Ca 0.07 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 2xj6 h GLN 98 Cb 0.94 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.33 2xj6 h GLN 98 CO 0.09 0.79 0.30 1.25 -0.95 0.00 0.00 178.83 180.31 2xj6 h LEU 99 N 0.46 0.81 -1.28 1.46 5.85 -0.60 -1.51 115.31 120.49 2xj6 h LEU 99 Ca 0.05 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2xj6 h LEU 99 Cb 0.78 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2xj6 h LEU 99 CO 0.06 0.71 0.50 0.00 -0.34 0.00 0.00 178.44 179.37 2xj6 h ALA 100 N 1.13 1.55 -0.45 1.25 0.00 -0.90 0.12 119.26 121.98 2xj6 h ALA 100 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2xj6 h ALA 100 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2xj6 h ALA 100 CO -0.03 0.37 -0.08 0.78 0.00 0.00 0.00 179.25 180.29 2xj6 h GLY 101 N 0.93 0.92 0.99 0.00 0.00 -0.89 0.19 103.07 105.21 2xj6 h GLY 101 Ca 0.31 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2xj6 h GLY 101 CO -0.09 0.67 0.32 -2.08 0.00 0.00 0.00 176.54 175.37 2xj6 h VAL 102 N 0.68 1.20 -0.45 4.60 2.07 -0.60 -2.71 116.25 121.04 2xj6 h VAL 102 Ca 0.12 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 66.99 2xj6 h VAL 102 Cb 0.61 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2xj6 h VAL 102 CO 0.04 0.22 -0.22 0.58 0.02 0.00 0.00 177.57 178.21 2xj6 h VAL 103 N 0.83 1.27 -0.85 2.57 2.07 -0.59 -2.00 116.25 119.54 2xj6 h VAL 103 Ca 0.21 -1.38 0.12 0.00 0.82 0.00 0.00 66.70 66.48 2xj6 h VAL 103 Cb 0.06 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2xj6 h VAL 103 CO -0.03 0.47 0.47 0.00 0.02 0.00 0.00 177.57 178.50 2xj6 h ALA 104 N 0.94 1.26 -0.11 1.67 0.00 -0.36 0.13 119.26 122.78 2xj6 h ALA 104 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2xj6 h ALA 104 Cb 0.78 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2xj6 h ALA 104 CO 0.06 0.02 -0.02 0.28 0.00 0.00 0.00 179.25 179.60 2xj6 h VAL 105 N 0.73 1.28 -0.68 0.00 2.07 -1.34 -3.00 116.25 115.31 2xj6 h VAL 105 Ca 0.44 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2xj6 h VAL 105 Cb 0.51 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2xj6 h VAL 105 CO -0.30 0.26 0.28 -0.08 0.02 0.00 0.00 177.57 177.75 2xj6 h GLU 106 N -0.10 1.02 -0.00 1.57 4.81 -0.55 0.21 114.58 121.54 2xj6 h GLU 106 Ca 0.03 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2xj6 h GLU 106 Cb 0.41 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2xj6 h GLU 106 CO 0.01 0.84 -0.00 1.33 -0.73 0.00 0.00 179.01 180.46 2xj6 n VAL 107 N -4.39 0.00 0.40 0.32 0.24 0.35 -1.68 118.33 113.57 2xj6 n VAL 107 Ca 0.05 -0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.46 2xj6 n VAL 107 Cb 0.17 -0.49 0.27 0.00 -1.47 0.00 0.00 33.84 32.31 2xj6 n VAL 107 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2xj6 n THR 108 N -1.36 0.57 -0.13 3.34 -2.24 -1.10 -4.93 114.28 108.44 2xj6 n THR 108 Ca 0.12 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2xj6 n THR 108 Cb 0.28 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2xj6 n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xj6 n GLY 109 N 1.42 0.93 0.67 3.38 0.00 -0.67 -0.72 105.19 110.20 2xj6 n GLY 109 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2xj6 n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xj6 n GLY 110 N -2.13 0.44 3.77 -0.02 0.00 0.04 -4.79 105.19 102.50 2xj6 n GLY 110 Ca 0.00 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 2xj6 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xj6 s PRO 111 N -2.96 2.35 -0.62 1.61 0.04 -1.26 -4.53 135.00 129.64 2xj6 s PRO 111 Ca 0.12 1.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 2xj6 s PRO 111 Cb -0.01 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.68 2xj6 s PRO 111 CO 0.08 -1.57 0.98 -1.21 0.04 0.00 0.00 177.00 175.32 2xj6 s GLU 112 N -4.84 3.21 -0.09 4.56 2.02 -1.26 -4.29 118.70 118.02 2xj6 s GLU 112 Ca 0.61 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 2xj6 s GLU 112 Cb -0.17 -4.15 -0.02 0.00 0.10 0.00 0.00 34.13 29.89 2xj6 s GLU 112 CO 0.55 -1.70 1.12 0.08 0.02 0.00 0.00 175.26 175.32 2xj6 s VAL 113 N 4.16 4.48 0.52 2.63 1.01 -1.26 -5.00 120.40 126.94 2xj6 s VAL 113 Ca 0.27 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.80 2xj6 s VAL 113 Cb -0.14 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 2xj6 s VAL 113 CO 0.14 -0.02 1.35 -2.84 0.00 0.00 0.00 175.10 173.74 2xj6 s PRO 114 N 2.26 3.27 -0.05 2.72 0.02 -1.26 -5.01 135.00 136.96 2xj6 s PRO 114 Ca 0.52 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.78 2xj6 s PRO 114 Cb -0.22 -2.33 0.02 0.00 0.02 0.00 0.00 34.50 31.99 2xj6 s PRO 114 CO 0.19 -1.08 -0.09 0.12 -0.33 0.00 0.00 177.00 175.82 2xj6 s PHE 115 N -1.31 1.11 -0.13 6.54 5.36 -1.26 -4.80 117.98 123.49 2xj6 s PHE 115 Ca 0.69 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 56.31 2xj6 s PHE 115 Cb -0.40 -0.86 0.01 0.00 -0.34 0.00 0.00 43.02 41.43 2xj6 s PHE 115 CO 0.48 -0.23 -0.18 -1.01 -1.46 0.00 0.00 175.22 172.82 2xj6 s HIS 116 N 0.76 2.32 0.83 10.12 3.76 -1.26 -5.15 115.29 126.67 2xj6 s HIS 116 Ca -0.13 -1.17 -0.12 0.00 -0.15 0.00 0.00 55.06 53.49 2xj6 s HIS 116 Cb -0.15 -1.63 0.11 0.00 1.11 0.00 0.00 32.58 32.02 2xj6 s HIS 116 CO 0.02 -0.58 1.18 -1.25 -0.85 0.00 0.00 174.74 173.27 2xj6 s PRO 117 N 1.00 1.62 0.00 8.40 0.04 -1.26 -4.77 135.00 140.02 2xj6 s PRO 117 Ca -0.05 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.83 2xj6 s PRO 117 Cb -0.15 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2xj6 s PRO 117 CO -0.04 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.66 2xj6 n GLY 118 N -3.35 0.77 3.75 0.56 0.00 -1.26 -4.56 105.19 101.10 2xj6 n GLY 118 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2xj6 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xj6 s ARG 119 N 0.00 4.36 0.06 1.61 0.52 -1.26 -4.94 118.95 119.30 2xj6 s ARG 119 Ca 0.00 2.17 -0.06 0.00 -0.52 0.00 0.00 55.73 57.32 2xj6 s ARG 119 Cb 0.00 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 2xj6 s ARG 119 CO 0.00 -0.24 0.30 -1.21 0.02 0.00 0.00 175.30 174.17 2xj6 s GLU 120 N -0.96 3.59 -0.28 3.54 2.02 -1.26 -4.46 118.70 120.89 2xj6 s GLU 120 Ca 0.53 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 55.13 2xj6 s GLU 120 Cb -0.39 -3.01 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 2xj6 s GLU 120 CO 0.46 0.59 1.50 -0.51 0.02 0.00 0.00 175.26 177.32 2xj6 s ASP 121 N -2.00 6.43 0.26 -0.19 1.01 -1.26 -4.62 116.67 116.30 2xj6 s ASP 121 Ca 0.32 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.90 2xj6 s ASP 121 Cb -0.13 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2xj6 s ASP 121 CO 0.20 -1.26 0.50 -0.54 0.21 0.00 0.00 175.17 174.29 2xj6 s LYS 122 N 4.62 3.61 0.18 8.23 1.02 0.16 -5.01 119.74 132.55 2xj6 s LYS 122 Ca 0.66 -0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.61 2xj6 s LYS 122 Cb -0.21 -2.70 0.06 0.00 -0.52 0.00 0.00 37.83 34.46 2xj6 s LYS 122 CO 0.28 0.28 1.43 -1.00 -0.92 0.00 0.00 175.35 175.41 2xj6 h PRO 123 N 1.84 0.16 -5.24 -1.68 0.13 -1.95 -3.42 132.00 121.84 2xj6 h PRO 123 Ca -0.48 -0.16 -0.66 0.00 -0.87 0.00 0.00 66.00 63.84 2xj6 h PRO 123 Cb 1.19 0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 2xj6 h PRO 123 CO 0.67 0.88 -0.77 -1.21 -0.23 0.00 0.00 178.00 177.35 2xj6 s GLU 124 N -3.29 3.34 0.59 0.86 0.41 -1.26 -5.07 118.70 114.28 2xj6 s GLU 124 Ca -0.02 -0.69 -0.18 0.00 -0.41 0.00 0.00 54.97 53.66 2xj6 s GLU 124 Cb 0.11 -2.68 -0.04 0.00 -1.78 0.00 0.00 34.13 29.74 2xj6 s GLU 124 CO 0.81 0.10 1.17 -2.14 -0.49 0.00 0.00 175.26 174.72 2xj6 s PRO 125 N 0.64 3.04 0.82 0.39 0.02 -1.26 -4.86 135.00 133.79 2xj6 s PRO 125 Ca -0.07 1.70 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 2xj6 s PRO 125 Cb -0.15 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.50 2xj6 s PRO 125 CO 0.03 -1.12 1.10 -1.25 -0.33 0.00 0.00 177.00 175.43 2xj6 s PRO 126 N -3.42 1.90 0.68 5.54 0.04 -1.26 -5.00 135.00 133.49 2xj6 s PRO 126 Ca 0.75 0.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 2xj6 s PRO 126 Cb -0.27 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2xj6 s PRO 126 CO 0.32 -1.73 1.26 -1.25 0.04 0.00 0.00 177.00 175.64 2xj6 s PRO 127 N -5.18 2.37 0.64 0.56 0.04 -1.26 -4.98 135.00 127.19 2xj6 s PRO 127 Ca 0.61 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 63.45 2xj6 s PRO 127 Cb -0.14 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 2xj6 s PRO 127 CO 0.54 -1.71 1.11 -2.00 0.04 0.00 0.00 177.00 174.98 2xj6 s GLU 128 N -3.58 2.89 0.00 4.56 2.12 -1.26 -4.35 118.70 119.08 2xj6 s GLU 128 Ca 0.79 1.41 0.00 0.00 0.36 0.00 0.00 54.97 57.53 2xj6 s GLU 128 Cb -0.34 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2xj6 s GLU 128 CO 0.42 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 2xj6 n GLY 129 N -0.47 0.87 0.14 -1.50 0.00 -1.26 -4.99 105.19 97.98 2xj6 n GLY 129 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2xj6 n GLY 129 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2xj6 h ARG 130 N 2.67 0.00 -7.20 1.61 3.08 -1.94 -3.47 114.38 109.12 2xj6 h ARG 130 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 2xj6 h ARG 130 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.09 2xj6 h ARG 130 CO 0.00 0.00 0.38 -0.51 -1.07 0.00 0.00 179.97 178.77 2xj6 s LEU 131 N -5.39 3.55 0.59 3.04 1.43 -1.26 -4.90 118.68 115.73 2xj6 s LEU 131 Ca 0.03 1.67 -0.18 0.00 -1.03 0.00 0.00 54.13 54.62 2xj6 s LEU 131 Cb 0.09 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 2xj6 s LEU 131 CO 0.74 -0.84 1.12 -2.16 0.23 0.00 0.00 176.35 175.43 2xj6 s PRO 132 N -4.12 3.14 -0.40 1.29 0.04 -1.26 -5.00 135.00 128.70 2xj6 s PRO 132 Ca 0.61 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 2xj6 s PRO 132 Cb -0.12 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2xj6 s PRO 132 CO 0.35 -1.00 0.45 0.34 0.04 0.00 0.00 177.00 177.18 2xj6 s ASP 133 N -2.14 6.22 0.49 6.66 -1.08 -1.26 -4.97 116.67 120.59 2xj6 s ASP 133 Ca 0.70 -0.47 0.26 0.00 -0.52 0.00 0.00 52.55 52.53 2xj6 s ASP 133 Cb -0.22 -2.23 1.42 0.00 -1.46 0.00 0.00 42.92 40.43 2xj6 s ASP 133 CO 0.33 -0.53 1.77 0.00 0.52 0.00 0.00 175.17 177.26 2xj6 h ALA 134 N 8.65 1.15 -0.01 3.66 0.00 -2.01 -1.18 119.26 129.52 2xj6 h ALA 134 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2xj6 h ALA 134 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2xj6 h ALA 134 CO 0.78 -0.15 -0.22 0.25 0.00 0.00 0.00 179.25 179.90 2xj6 n THR 135 N -2.54 0.00 -3.04 0.00 -2.24 -1.26 -1.57 114.28 103.63 2xj6 n THR 135 Ca -0.02 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.48 2xj6 n THR 135 Cb 0.22 0.82 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 2xj6 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2xj6 n LYS 136 N -0.00 0.95 0.00 -0.78 5.02 -0.45 -4.81 118.16 118.09 2xj6 n LYS 136 Ca 0.13 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 2xj6 n LYS 136 Cb 0.42 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 2xj6 n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xj6 n GLY 137 N 3.71 5.98 0.25 0.72 0.00 -1.26 -3.32 105.19 111.27 2xj6 n GLY 137 Ca 0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 2xj6 n GLY 137 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2xj6 h SER 138 N 0.00 0.63 -0.38 1.61 0.02 -1.92 -1.53 113.55 111.97 2xj6 h SER 138 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2xj6 h SER 138 Cb 0.00 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2xj6 h SER 138 CO 0.00 0.43 0.16 0.44 -1.14 0.00 0.00 176.83 176.72 2xj6 h ASP 139 N 0.76 0.20 -0.41 3.07 5.19 -1.99 -1.29 116.42 121.96 2xj6 h ASP 139 Ca 0.26 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.72 2xj6 h ASP 139 Cb 0.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 2xj6 h ASP 139 CO -0.11 0.15 0.22 -0.74 -3.12 0.00 0.00 179.24 175.65 2xj6 h HIS 140 N 0.33 0.41 -0.90 4.55 2.76 -1.84 -1.37 115.15 119.09 2xj6 h HIS 140 Ca 0.17 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.41 2xj6 h HIS 140 Cb 0.12 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 2xj6 h HIS 140 CO -0.13 0.23 0.57 -0.07 -1.30 0.00 0.00 177.93 177.23 2xj6 h LEU 141 N 0.45 0.91 -0.83 0.26 3.38 -0.83 -1.10 115.31 117.54 2xj6 h LEU 141 Ca 0.17 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 2xj6 h LEU 141 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2xj6 h LEU 141 CO -0.10 0.58 -0.53 0.03 0.09 0.00 0.00 178.44 178.52 2xj6 h ARG 142 N 1.04 0.14 -0.57 1.13 3.08 -0.77 -0.67 114.38 117.76 2xj6 h ARG 142 Ca 0.39 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.37 2xj6 h ARG 142 Cb 0.15 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2xj6 h ARG 142 CO -0.17 0.64 0.37 -0.44 -1.07 0.00 0.00 179.97 179.30 2xj6 h ASP 143 N 0.11 0.63 0.00 7.04 3.32 -0.46 0.23 116.42 127.29 2xj6 h ASP 143 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2xj6 h ASP 143 Cb 0.97 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 2xj6 h ASP 143 CO 0.08 0.45 -0.16 0.58 -1.72 0.00 0.00 179.24 178.47 2xj6 h VAL 144 N 0.75 0.86 -0.20 -1.35 2.07 -1.01 -1.43 116.25 115.94 2xj6 h VAL 144 Ca 0.21 -1.69 -0.15 0.00 0.82 0.00 0.00 66.70 65.90 2xj6 h VAL 144 Cb -0.06 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2xj6 h VAL 144 CO -0.06 0.29 -0.49 -0.26 0.02 0.00 0.00 177.57 177.07 2xj6 h PHE 145 N -1.00 0.65 0.00 1.57 -1.00 -1.25 -1.81 116.94 114.10 2xj6 h PHE 145 Ca -0.03 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.53 2xj6 h PHE 145 Cb 0.59 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2xj6 h PHE 145 CO 0.11 0.92 -0.20 0.41 -1.61 0.00 0.00 178.31 177.94 2xj6 n GLY 146 N 0.14 -0.70 0.26 -1.45 0.00 0.69 -0.24 105.19 103.89 2xj6 n GLY 146 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 2xj6 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2xj6 h LYS 147 N -0.39 0.62 0.00 1.61 1.57 -1.01 -1.20 116.57 117.77 2xj6 h LYS 147 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2xj6 h LYS 147 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2xj6 h LYS 147 CO 0.00 0.77 -0.17 0.00 -0.57 0.00 0.00 179.45 179.48 2xj6 h ALA 148 N 1.25 0.00 -0.01 3.86 0.00 -1.23 -3.43 119.26 119.69 2xj6 h ALA 148 Ca 0.09 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 2xj6 h ALA 148 Cb 0.62 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2xj6 h ALA 148 CO 0.04 0.17 -0.73 0.52 0.00 0.00 0.00 179.25 179.25 2xj6 h MET 149 N -0.47 0.09 0.00 0.00 2.86 -1.23 0.41 114.93 116.58 2xj6 h MET 149 Ca 0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2xj6 h MET 149 Cb 0.17 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2xj6 h MET 149 CO 0.00 0.78 0.00 0.41 1.06 0.00 0.00 176.91 179.16 2xj6 n GLY 150 N 0.55 0.99 3.98 8.32 0.00 -0.37 -4.63 105.19 114.03 2xj6 n GLY 150 Ca -0.02 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2xj6 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xj6 s LEU 151 N 0.00 3.46 0.47 0.99 1.43 0.66 -4.97 118.68 120.72 2xj6 s LEU 151 Ca 0.00 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2xj6 s LEU 151 Cb 0.00 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.40 2xj6 s LEU 151 CO 0.00 -0.95 0.68 0.42 0.23 0.00 0.00 176.35 176.72 2xj6 s THR 152 N -2.59 3.63 0.32 5.49 -4.23 -1.26 -4.20 115.64 112.81 2xj6 s THR 152 Ca 0.55 -0.59 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2xj6 s THR 152 Cb -0.10 -3.34 0.28 0.00 1.34 0.00 0.00 72.50 70.69 2xj6 s THR 152 CO 0.36 -0.22 1.93 0.44 -0.54 0.00 0.00 174.62 176.59 2xj6 h ASP 153 N 0.36 0.83 -0.80 3.99 5.19 -1.99 -0.28 116.42 123.72 2xj6 h ASP 153 Ca -0.45 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 2xj6 h ASP 153 Cb 1.27 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 2xj6 h ASP 153 CO 0.55 0.54 0.39 -0.61 -3.12 0.00 0.00 179.24 176.99 2xj6 h GLN 154 N 0.94 1.15 -0.60 3.56 4.15 -1.95 -2.37 115.11 119.99 2xj6 h GLN 154 Ca 0.36 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 2xj6 h GLN 154 Cb 0.21 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2xj6 h GLN 154 CO -0.13 0.88 0.23 -0.44 -1.93 0.00 0.00 178.83 177.44 2xj6 h ASP 155 N 1.13 0.80 -0.74 -0.69 3.32 -1.47 -2.05 116.42 116.72 2xj6 h ASP 155 Ca 0.28 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2xj6 h ASP 155 Cb 0.11 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2xj6 h ASP 155 CO -0.04 0.73 0.39 0.40 -1.72 0.00 0.00 179.24 179.00 2xj6 h ILE 156 N 0.86 1.23 -0.05 0.35 2.04 -0.68 -0.66 117.51 120.61 2xj6 h ILE 156 Ca 0.20 -0.61 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 2xj6 h ILE 156 Cb 0.18 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2xj6 h ILE 156 CO -0.02 0.26 -0.27 0.58 0.00 0.00 0.00 178.15 178.70 2xj6 h VAL 157 N 1.03 1.46 -0.55 1.67 2.07 -1.32 -1.77 116.25 118.84 2xj6 h VAL 157 Ca 0.26 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 2xj6 h VAL 157 Cb 0.07 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2xj6 h VAL 157 CO -0.04 0.49 0.25 0.00 0.02 0.00 0.00 177.57 178.30 2xj6 h ALA 158 N 0.38 0.71 -0.00 1.67 0.00 -1.29 -2.44 119.26 118.29 2xj6 h ALA 158 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2xj6 h ALA 158 Cb 0.94 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2xj6 h ALA 158 CO 0.06 0.28 -0.33 -0.07 0.00 0.00 0.00 179.25 179.19 2xj6 h LEU 159 N 0.74 0.00 -2.21 0.00 3.38 -1.16 -0.91 115.31 115.16 2xj6 h LEU 159 Ca 0.19 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2xj6 h LEU 159 Cb 0.13 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2xj6 h LEU 159 CO -0.02 0.33 0.16 0.28 0.09 0.00 0.00 178.44 179.27 2xj6 h SER 160 N 0.00 0.00 0.30 -0.43 0.02 -0.82 -0.80 113.55 111.82 2xj6 h SER 160 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2xj6 h SER 160 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2xj6 h SER 160 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2xj6 n GLY 161 N -1.44 -0.80 0.28 -3.77 0.00 -0.34 -2.07 105.19 97.05 2xj6 n GLY 161 Ca 0.01 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2xj6 n GLY 161 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2xj6 h GLY 162 N 2.47 0.00 1.55 -0.02 0.00 -1.28 -0.60 103.07 105.19 2xj6 h GLY 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2xj6 h GLY 162 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 2xj6 n HIS 163 N -4.02 0.00 0.32 5.60 8.25 -0.88 -2.09 115.22 122.40 2xj6 n HIS 163 Ca -0.03 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.63 2xj6 n HIS 163 Cb 0.10 -0.28 1.09 0.00 1.12 0.00 0.00 29.99 32.02 2xj6 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2xj6 h THR 164 N 0.00 0.17 -3.84 1.59 1.03 -1.35 -3.40 112.91 107.11 2xj6 h THR 164 Ca 0.00 -0.06 -0.68 0.00 -0.01 0.00 0.00 66.41 65.66 2xj6 h THR 164 Cb 0.07 1.05 -0.20 0.00 -1.07 0.00 0.00 68.15 68.00 2xj6 h THR 164 CO 0.00 0.01 -0.78 0.27 -0.01 0.00 0.00 175.52 175.00 2xj6 s ILE 165 N -4.25 2.98 0.00 0.00 -4.36 -0.89 -4.46 121.20 110.23 2xj6 s ILE 165 Ca -0.05 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 2xj6 s ILE 165 Cb 0.13 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.55 2xj6 s ILE 165 CO 0.46 0.28 0.00 0.61 0.24 0.00 0.00 174.94 176.54 2xj6 n GLY 166 N 1.34 -1.74 3.41 6.27 0.00 -0.42 -4.89 105.19 109.15 2xj6 n GLY 166 Ca -0.16 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 2xj6 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xj6 s ALA 167 N -1.84 -1.50 0.49 4.61 0.00 -1.26 -3.76 121.76 118.50 2xj6 s ALA 167 Ca 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 2xj6 s ALA 167 Cb 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 2xj6 s ALA 167 CO 0.00 -0.70 0.76 0.00 0.00 0.00 0.00 175.76 175.82 2xj6 s ALA 168 N -3.46 3.50 -0.05 0.00 0.00 0.33 -4.87 121.76 117.21 2xj6 s ALA 168 Ca -0.00 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2xj6 s ALA 168 Cb -0.00 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2xj6 s ALA 168 CO -0.10 -0.45 -0.05 -1.01 0.00 0.00 0.00 175.76 174.14 2xj6 s HIS 169 N -2.72 0.80 0.56 0.00 3.76 -0.69 -1.01 115.29 115.99 2xj6 s HIS 169 Ca 0.49 -0.23 0.37 0.00 -0.15 0.00 0.00 55.06 55.54 2xj6 s HIS 169 Cb -0.10 -0.69 2.04 0.00 1.11 0.00 0.00 32.58 34.94 2xj6 s HIS 169 CO 0.42 -0.19 2.27 1.57 -0.85 0.00 0.00 174.74 177.95 2xj6 h LYS 170 N 7.15 0.00 -0.00 1.40 2.10 -1.57 0.20 116.57 125.84 2xj6 h LYS 170 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2xj6 h LYS 170 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2xj6 h LYS 170 CO 0.47 0.02 -0.35 -0.85 -2.00 0.00 0.00 179.45 176.74 2xj6 n GLU 171 N -3.36 0.53 0.00 0.07 0.00 -1.26 -3.19 120.64 113.43 2xj6 n GLU 171 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 57.16 56.82 2xj6 n GLU 171 Cb 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.07 2xj6 n GLU 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2xj6 n ARG 172 N -0.96 0.00 0.07 3.44 1.74 0.66 -4.85 116.66 116.76 2xj6 n ARG 172 Ca 0.10 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.08 2xj6 n ARG 172 Cb 0.34 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.66 2xj6 n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2xj6 h SER 173 N 0.00 0.14 0.00 0.55 4.64 -1.67 -3.47 113.55 113.74 2xj6 h SER 173 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2xj6 h SER 173 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2xj6 h SER 173 CO 0.00 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 2xj6 n GLY 174 N 1.40 0.76 3.80 -0.77 0.00 -1.05 -5.01 105.19 104.31 2xj6 n GLY 174 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2xj6 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xj6 s PHE 175 N -1.26 2.86 -0.12 1.61 0.40 -1.26 -4.36 117.98 115.85 2xj6 s PHE 175 Ca 0.00 1.33 -0.06 0.00 -0.60 0.00 0.00 56.93 57.59 2xj6 s PHE 175 Cb 0.00 -3.02 0.05 0.00 0.51 0.00 0.00 43.02 40.56 2xj6 s PHE 175 CO 0.00 -1.62 0.29 -2.00 0.70 0.00 0.00 175.22 172.60 2xj6 s GLU 176 N -5.06 0.26 0.00 0.44 2.56 -1.26 -1.70 118.70 113.94 2xj6 s GLU 176 Ca 0.60 0.60 0.00 0.00 0.00 0.00 0.00 54.97 56.17 2xj6 s GLU 176 Cb -0.15 -0.09 0.00 0.00 2.00 0.00 0.00 34.13 35.89 2xj6 s GLU 176 CO 0.55 -0.16 0.00 0.41 -0.56 0.00 0.00 175.26 175.50 2xj6 n GLY 177 N 4.23 1.69 3.87 -1.50 0.00 -0.18 -4.78 105.19 108.52 2xj6 n GLY 177 Ca -0.25 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 2xj6 n GLY 177 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xj6 s PRO 178 N -2.08 3.81 0.38 1.61 0.04 -1.26 -0.51 135.00 136.98 2xj6 s PRO 178 Ca 0.00 0.51 0.21 0.00 0.04 0.00 0.00 61.00 61.76 2xj6 s PRO 178 Cb 0.00 -2.38 0.24 0.00 0.04 0.00 0.00 34.50 32.40 2xj6 s PRO 178 CO 0.00 -0.03 1.52 -1.49 0.04 0.00 0.00 177.00 177.04 2xj6 h TRP 179 N 1.33 0.00 -3.69 0.56 6.55 -1.77 -0.33 115.95 118.60 2xj6 h TRP 179 Ca -0.47 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.08 2xj6 h TRP 179 Cb 1.19 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.34 2xj6 h TRP 179 CO 0.61 0.14 -0.68 0.95 -1.05 0.00 0.00 178.44 178.42 2xj6 s THR 180 N -3.15 0.77 -0.75 1.49 -4.23 -1.26 -4.51 115.64 104.00 2xj6 s THR 180 Ca 0.06 -1.99 0.24 0.00 -1.18 0.00 0.00 61.69 58.82 2xj6 s THR 180 Cb 0.06 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 72.12 2xj6 s THR 180 CO 0.70 -0.57 1.74 -1.20 -0.54 0.00 0.00 174.62 174.75 2xj6 n SER 181 N -0.21 0.48 -3.22 3.99 7.64 -1.26 -4.03 113.62 117.01 2xj6 n SER 181 Ca -0.08 0.58 -0.24 0.00 1.01 0.00 0.00 58.87 60.14 2xj6 n SER 181 Cb 0.62 -0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 63.07 2xj6 n SER 181 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2xj6 n ASN 182 N -1.99 1.56 0.00 6.43 6.94 -1.26 -4.98 115.26 121.96 2xj6 n ASN 182 Ca 0.04 -3.03 0.02 0.00 -0.02 0.00 0.00 54.58 51.59 2xj6 n ASN 182 Cb 0.31 -0.63 0.11 0.00 -2.36 0.00 0.00 39.78 37.21 2xj6 n ASN 182 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2xj6 n PRO 183 N 0.88 0.73 -0.11 -0.53 -0.04 -1.26 -1.21 135.00 133.47 2xj6 n PRO 183 Ca 0.25 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 2xj6 n PRO 183 Cb 0.52 -1.08 0.09 0.00 -0.04 0.00 0.00 33.50 32.99 2xj6 n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2xj6 n LEU 184 N -0.58 2.54 -4.24 1.53 4.77 -1.26 -1.31 117.00 118.45 2xj6 n LEU 184 Ca 0.03 -2.15 -0.35 0.00 -0.03 0.00 0.00 56.01 53.51 2xj6 n LEU 184 Cb 0.01 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 2xj6 n LEU 184 CO 0.02 0.62 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.69 2xj6 s ILE 185 N -1.26 3.09 -0.57 -0.08 -1.09 -0.35 -4.68 121.20 116.27 2xj6 s ILE 185 Ca 0.15 -0.90 -0.28 0.00 -2.23 0.00 0.00 60.65 57.39 2xj6 s ILE 185 Cb 0.09 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.45 2xj6 s ILE 185 CO 0.07 0.22 1.30 0.12 -1.23 0.00 0.00 174.94 175.42 2xj6 s PHE 186 N 1.37 2.45 0.11 3.97 2.19 0.10 -4.65 117.98 123.53 2xj6 s PHE 186 Ca 0.01 0.43 0.00 0.00 0.33 0.00 0.00 56.93 57.71 2xj6 s PHE 186 Cb -0.16 -4.46 0.00 0.00 -1.31 0.00 0.00 43.02 37.08 2xj6 s PHE 186 CO -0.03 -1.79 0.14 -0.40 1.83 0.00 0.00 175.22 174.97 2xj6 n ASP 187 N 8.97 -0.40 -0.75 6.13 5.75 -1.26 -4.31 116.55 130.68 2xj6 n ASP 187 Ca 0.10 -1.64 0.03 0.00 -0.01 0.00 0.00 54.79 53.28 2xj6 n ASP 187 Cb 0.49 0.77 0.13 0.00 -1.03 0.00 0.00 41.12 41.48 2xj6 n ASP 187 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2xj6 n ASN 188 N -2.11 2.09 0.26 -1.12 6.94 -1.26 -4.36 115.26 115.69 2xj6 n ASN 188 Ca 0.01 -2.17 0.09 0.00 -0.02 0.00 0.00 54.58 52.50 2xj6 n ASN 188 Cb 0.19 -0.37 0.67 0.00 -2.36 0.00 0.00 39.78 37.91 2xj6 n ASN 188 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2xj6 h SER 189 N 1.53 0.00 -0.58 0.53 0.02 -1.94 -1.39 113.55 111.73 2xj6 h SER 189 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2xj6 h SER 189 Cb 0.70 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 2xj6 h SER 189 CO 0.09 0.08 0.32 0.22 -1.14 0.00 0.00 176.83 176.40 2xj6 h TYR 190 N 0.00 0.58 -0.23 3.45 3.20 -1.89 -1.13 116.97 120.95 2xj6 h TYR 190 Ca -0.00 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 2xj6 h TYR 190 Cb 0.17 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2xj6 h TYR 190 CO 0.00 0.30 -0.50 0.74 -1.64 0.00 0.00 178.16 177.06 2xj6 h PHE 191 N 0.61 0.78 -0.55 -3.82 0.04 -1.61 -1.55 116.94 110.83 2xj6 h PHE 191 Ca 0.25 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2xj6 h PHE 191 Cb 0.12 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2xj6 h PHE 191 CO -0.08 1.00 0.22 1.15 -0.60 0.00 0.00 178.31 179.99 2xj6 h THR 192 N 0.50 1.22 -0.51 -1.55 2.02 -1.13 -1.17 112.91 112.29 2xj6 h THR 192 Ca 0.02 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 2xj6 h THR 192 Cb 1.04 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 2xj6 h THR 192 CO 0.10 0.27 0.11 -0.33 0.37 0.00 0.00 175.52 176.03 2xj6 h GLU 193 N 0.75 0.82 -0.64 6.66 4.39 -1.21 -2.39 114.58 122.97 2xj6 h GLU 193 Ca 0.18 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.75 2xj6 h GLU 193 Cb 0.21 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 2xj6 h GLU 193 CO -0.01 0.80 0.33 1.25 -1.16 0.00 0.00 179.01 180.21 2xj6 h LEU 194 N 0.70 0.45 -0.99 1.33 5.85 -0.97 -2.23 115.31 119.46 2xj6 h LEU 194 Ca 0.16 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 2xj6 h LEU 194 Cb 0.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2xj6 h LEU 194 CO 0.00 0.29 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.85 2xj6 h LEU 195 N 0.59 0.10 -0.34 2.25 3.38 -1.09 -3.27 115.31 116.92 2xj6 h LEU 195 Ca 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2xj6 h LEU 195 Cb 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2xj6 h LEU 195 CO -0.21 0.55 0.00 -1.54 0.09 0.00 0.00 178.44 177.33 2xj6 n SER 196 N -3.98 0.53 0.00 -0.43 3.41 -0.84 -5.02 113.62 107.29 2xj6 n SER 196 Ca -0.02 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2xj6 n SER 196 Cb 0.50 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2xj6 n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xj6 n GLY 197 N 1.06 -2.01 3.47 5.00 0.00 -1.20 -4.84 105.19 106.67 2xj6 n GLY 197 Ca 0.22 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 2xj6 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xj6 s GLU 198 N -0.11 3.20 0.13 1.61 0.41 -1.26 -4.69 118.70 117.99 2xj6 s GLU 198 Ca 0.00 -0.65 -0.30 0.00 -0.41 0.00 0.00 54.97 53.60 2xj6 s GLU 198 Cb 0.00 -4.12 -0.07 0.00 -1.78 0.00 0.00 34.13 28.17 2xj6 s GLU 198 CO 0.00 -1.46 1.05 0.21 -0.49 0.00 0.00 175.26 174.57 2xj6 s LYS 199 N 3.43 4.61 -0.04 1.61 2.20 -1.26 -4.97 119.74 125.33 2xj6 s LYS 199 Ca 0.22 1.61 -0.37 0.00 -0.36 0.00 0.00 55.97 57.07 2xj6 s LYS 199 Cb -0.16 -3.33 -0.15 0.00 -1.51 0.00 0.00 37.83 32.67 2xj6 s LYS 199 CO 0.14 0.09 1.56 -1.91 -0.36 0.00 0.00 175.35 174.87 2xj6 n GLU 200 N 2.74 1.38 0.00 4.03 4.07 -1.26 -1.65 120.64 129.95 2xj6 n GLU 200 Ca 0.03 0.50 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 2xj6 n GLU 200 Cb 0.47 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.66 2xj6 n GLU 200 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2xj6 n GLY 201 N 3.38 1.91 3.91 8.31 0.00 -1.26 -5.04 105.19 116.40 2xj6 n GLY 201 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2xj6 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xj6 s LEU 202 N 0.00 4.37 -0.04 0.99 1.43 -0.66 -4.54 118.68 120.23 2xj6 s LEU 202 Ca 0.00 0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 2xj6 s LEU 202 Cb 0.00 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 2xj6 s LEU 202 CO 0.00 0.23 0.25 -0.22 0.23 0.00 0.00 176.35 176.85 2xj6 s LEU 203 N -2.12 4.40 -0.15 1.79 2.96 -0.13 -4.75 118.68 120.68 2xj6 s LEU 203 Ca 0.30 0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 54.81 2xj6 s LEU 203 Cb -0.13 -2.43 0.05 0.00 0.50 0.00 0.00 46.19 44.18 2xj6 s LEU 203 CO 0.22 0.33 0.03 -1.10 -1.32 0.00 0.00 176.35 174.50 2xj6 s GLN 204 N -1.33 0.59 0.64 1.98 -0.21 -1.26 -4.48 119.66 115.57 2xj6 s GLN 204 Ca 0.22 -0.19 -0.15 0.00 0.02 0.00 0.00 55.36 55.26 2xj6 s GLN 204 Cb -0.14 -1.65 -0.01 0.00 1.00 0.00 0.00 33.01 32.21 2xj6 s GLN 204 CO 0.11 -0.51 1.08 -0.51 -2.12 0.00 0.00 175.29 173.34 2xj6 s LEU 205 N 1.93 3.41 0.37 2.90 1.43 -1.26 -4.91 118.68 122.55 2xj6 s LEU 205 Ca 0.02 1.88 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 2xj6 s LEU 205 Cb -0.15 -4.54 0.81 0.00 0.03 0.00 0.00 46.19 42.34 2xj6 s LEU 205 CO -0.07 -1.42 1.94 -0.65 0.23 0.00 0.00 176.35 176.38 2xj6 h PRO 206 N 0.11 0.66 0.00 1.29 0.11 -1.87 -1.40 132.00 130.91 2xj6 h PRO 206 Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2xj6 h PRO 206 Cb 1.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2xj6 h PRO 206 CO 0.56 0.44 -0.12 0.66 -0.21 0.00 0.00 178.00 179.32 2xj6 h SER 207 N 0.68 0.00 0.02 -2.05 4.64 -1.28 -1.65 113.55 113.91 2xj6 h SER 207 Ca 0.33 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2xj6 h SER 207 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2xj6 h SER 207 CO -0.12 0.12 -0.01 0.44 -0.87 0.00 0.00 176.83 176.39 2xj6 h ASP 208 N 0.00 -0.03 -0.48 4.97 3.32 -1.59 -3.24 116.42 119.38 2xj6 h ASP 208 Ca -0.00 -0.47 0.08 0.00 0.02 0.00 0.00 57.03 56.67 2xj6 h ASP 208 Cb 0.21 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2xj6 h ASP 208 CO 0.02 0.46 0.32 0.11 -1.72 0.00 0.00 179.24 178.43 2xj6 h LYS 209 N -0.52 0.28 -0.25 3.56 1.57 -0.99 -0.91 116.57 119.30 2xj6 h LYS 209 Ca -0.00 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2xj6 h LYS 209 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2xj6 h LYS 209 CO 0.01 0.18 0.18 0.00 -0.57 0.00 0.00 179.45 179.25 2xj6 h ALA 210 N 1.75 2.19 0.00 3.86 0.00 -1.33 0.13 119.26 125.87 2xj6 h ALA 210 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2xj6 h ALA 210 Cb 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2xj6 h ALA 210 CO -0.05 -0.26 -0.11 -0.07 0.00 0.00 0.00 179.25 178.76 2xj6 h LEU 211 N 0.03 0.00 -0.46 0.00 3.38 -1.27 -2.72 115.31 114.28 2xj6 h LEU 211 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2xj6 h LEU 211 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2xj6 h LEU 211 CO -0.01 0.11 -0.59 -0.07 0.09 0.00 0.00 178.44 177.98 2xj6 h LEU 212 N 0.00 0.00 0.00 1.67 3.38 -0.85 -3.03 115.31 116.47 2xj6 h LEU 212 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xj6 h LEU 212 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2xj6 h LEU 212 CO 0.01 0.59 -0.75 -1.54 0.09 0.00 0.00 178.44 176.84 2xj6 n SER 213 N -3.46 0.74 -4.74 -0.43 3.41 -1.04 -4.68 113.62 103.42 2xj6 n SER 213 Ca 0.00 -0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 57.62 2xj6 n SER 213 Cb 0.68 0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 65.20 2xj6 n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2xj6 s ASP 214 N -3.03 7.11 0.58 4.04 -1.08 -1.12 -4.96 116.67 118.22 2xj6 s ASP 214 Ca 0.09 1.33 0.34 0.00 -0.52 0.00 0.00 52.55 53.80 2xj6 s ASP 214 Cb 0.17 -2.44 1.80 0.00 -1.46 0.00 0.00 42.92 40.99 2xj6 s ASP 214 CO 0.78 -0.01 2.18 1.55 0.52 0.00 0.00 175.17 180.19 2xj6 h PRO 215 N 5.98 0.00 0.10 4.34 0.13 -1.91 -0.04 132.00 140.59 2xj6 h PRO 215 Ca -0.43 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 2xj6 h PRO 215 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2xj6 h PRO 215 CO 0.72 0.05 -1.94 0.28 -0.23 0.00 0.00 178.00 176.87 2xj6 n VAL 216 N -3.40 1.72 0.01 1.56 0.31 -1.26 -4.34 118.33 112.94 2xj6 n VAL 216 Ca -0.02 -0.55 -0.06 0.00 -0.01 0.00 0.00 64.34 63.70 2xj6 n VAL 216 Cb 0.18 -1.76 0.14 0.00 -0.91 0.00 0.00 33.84 31.49 2xj6 n VAL 216 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2xj6 h PHE 217 N -0.11 0.58 -0.52 3.52 0.04 -1.78 -3.32 116.94 115.35 2xj6 h PHE 217 Ca -0.43 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.12 2xj6 h PHE 217 Cb 1.91 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 39.91 2xj6 h PHE 217 CO 0.07 0.80 0.07 -0.09 -0.60 0.00 0.00 178.31 178.57 2xj6 h ARG 218 N 0.41 0.86 -0.97 1.51 9.65 -0.87 -1.96 114.38 123.01 2xj6 h ARG 218 Ca 0.04 -0.24 0.23 0.00 -1.10 0.00 0.00 59.98 58.92 2xj6 h ARG 218 Cb 0.85 -0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.25 2xj6 h ARG 218 CO 0.07 0.85 0.64 -1.35 2.80 0.00 0.00 179.97 182.98 2xj6 h PRO 219 N 0.74 0.38 -0.05 0.20 0.11 -1.78 -1.68 132.00 129.92 2xj6 h PRO 219 Ca 0.16 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 2xj6 h PRO 219 Cb 0.41 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2xj6 h PRO 219 CO 0.01 0.25 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.87 2xj6 h LEU 220 N 0.39 0.19 -0.78 2.35 3.38 -1.51 0.30 115.31 119.63 2xj6 h LEU 220 Ca 0.52 -0.57 0.15 0.00 0.09 0.00 0.00 57.88 58.06 2xj6 h LEU 220 Cb 1.35 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 2xj6 h LEU 220 CO -0.22 0.73 0.34 0.58 0.09 0.00 0.00 178.44 179.96 2xj6 h VAL 221 N -0.34 0.67 -0.18 1.22 2.07 -0.92 0.71 116.25 119.48 2xj6 h VAL 221 Ca 0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2xj6 h VAL 221 Cb 0.70 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2xj6 h VAL 221 CO 0.02 0.09 0.04 0.44 0.02 0.00 0.00 177.57 178.18 2xj6 h ASP 222 N 0.49 0.28 -0.37 0.57 5.19 -1.16 0.38 116.42 121.80 2xj6 h ASP 222 Ca 0.43 -0.25 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 2xj6 h ASP 222 Cb 0.65 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 2xj6 h ASP 222 CO -0.39 0.45 0.18 0.50 -3.12 0.00 0.00 179.24 176.86 2xj6 h LYS 223 N 0.09 0.37 -0.20 3.56 3.64 -0.39 -1.56 116.57 122.08 2xj6 h LYS 223 Ca 0.06 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2xj6 h LYS 223 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2xj6 h LYS 223 CO 0.00 0.24 -0.31 1.88 -2.27 0.00 0.00 179.45 178.99 2xj6 h TYR 224 N 0.38 0.47 -0.08 1.91 0.05 -0.63 0.95 116.97 120.02 2xj6 h TYR 224 Ca 0.16 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 2xj6 h TYR 224 Cb 0.07 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2xj6 h TYR 224 CO -0.10 0.68 -0.41 0.00 -1.05 0.00 0.00 178.16 177.28 2xj6 h ALA 225 N 1.31 1.16 0.00 3.88 0.00 -0.49 -2.91 119.26 122.21 2xj6 h ALA 225 Ca 0.05 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2xj6 h ALA 225 Cb 0.73 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2xj6 h ALA 225 CO 0.06 0.57 -0.78 0.00 0.00 0.00 0.00 179.25 179.10 2xj6 h ALA 226 N 1.43 0.68 -2.62 0.00 0.00 -0.92 -3.45 119.26 114.38 2xj6 h ALA 226 Ca 0.01 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 2xj6 h ALA 226 Cb 0.80 0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.24 2xj6 h ALA 226 CO 0.06 0.57 -0.83 0.34 0.00 0.00 0.00 179.25 179.39 2xj6 s ASP 227 N -6.10 3.07 0.44 0.00 -1.08 0.30 -5.00 116.67 108.30 2xj6 s ASP 227 Ca 0.02 -1.95 0.14 0.00 -0.52 0.00 0.00 52.55 50.24 2xj6 s ASP 227 Cb 0.08 -0.36 0.98 0.00 -1.46 0.00 0.00 42.92 42.16 2xj6 s ASP 227 CO 0.76 -0.34 1.99 -0.08 0.52 0.00 0.00 175.17 178.02 2xj6 h GLU 228 N 7.37 0.05 -0.69 4.34 4.81 -1.85 -1.68 114.58 126.92 2xj6 h GLU 228 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2xj6 h GLU 228 Cb 0.98 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2xj6 h GLU 228 CO 0.30 0.20 0.30 -0.44 -0.73 0.00 0.00 179.01 178.65 2xj6 h ASP 229 N 0.04 0.93 -0.63 1.04 3.32 -1.94 0.15 116.42 119.33 2xj6 h ASP 229 Ca 0.01 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2xj6 h ASP 229 Cb 0.30 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2xj6 h ASP 229 CO 0.02 0.83 0.09 0.00 -1.72 0.00 0.00 179.24 178.46 2xj6 h ALA 230 N 1.14 0.93 0.10 3.45 0.00 -1.70 -1.00 119.26 122.18 2xj6 h ALA 230 Ca 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2xj6 h ALA 230 Cb 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2xj6 h ALA 230 CO -0.02 0.66 -0.06 0.35 0.00 0.00 0.00 179.25 180.17 2xj6 h PHE 231 N 1.00 -0.16 -0.89 0.00 3.57 -0.87 -1.50 116.94 118.09 2xj6 h PHE 231 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2xj6 h PHE 231 Cb 0.45 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 2xj6 h PHE 231 CO 0.03 -0.10 0.53 0.74 -2.23 0.00 0.00 178.31 177.28 2xj6 h PHE 232 N -0.16 1.18 -0.15 0.41 -1.00 -0.27 0.24 116.94 117.20 2xj6 h PHE 232 Ca -0.01 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.77 2xj6 h PHE 232 Cb 0.13 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 2xj6 h PHE 232 CO -0.09 0.79 0.08 0.00 -1.61 0.00 0.00 178.31 177.48 2xj6 h ALA 233 N 1.29 0.18 -0.24 2.45 0.00 -1.07 -0.54 119.26 121.34 2xj6 h ALA 233 Ca 0.32 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.06 2xj6 h ALA 233 Cb -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2xj6 h ALA 233 CO -0.06 -0.35 -0.54 -0.44 0.00 0.00 0.00 179.25 177.86 2xj6 h ASP 234 N 0.17 0.79 0.38 0.00 5.19 -0.76 -2.39 116.42 119.80 2xj6 h ASP 234 Ca 0.06 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 2xj6 h ASP 234 Cb -0.00 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 2xj6 h ASP 234 CO -0.03 1.17 -0.31 0.22 -3.12 0.00 0.00 179.24 177.17 2xj6 h TYR 235 N 0.55 -0.83 -0.94 4.55 5.03 -0.46 -1.78 116.97 123.08 2xj6 h TYR 235 Ca 0.01 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.39 2xj6 h TYR 235 Cb 1.11 0.31 -0.06 0.00 1.55 0.00 0.00 36.73 39.64 2xj6 h TYR 235 CO 0.06 -0.46 0.61 0.00 -1.32 0.00 0.00 178.16 177.05 2xj6 h ALA 236 N -0.19 1.47 -0.10 1.82 0.00 -0.93 0.52 119.26 121.84 2xj6 h ALA 236 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2xj6 h ALA 236 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2xj6 h ALA 236 CO -0.02 0.39 0.07 1.49 0.00 0.00 0.00 179.25 181.18 2xj6 h GLU 237 N 1.09 0.13 -0.28 0.00 4.81 -1.34 -2.13 114.58 116.87 2xj6 h GLU 237 Ca 0.41 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.52 2xj6 h GLU 237 Cb 0.18 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2xj6 h GLU 237 CO -0.15 0.09 -0.26 0.00 -0.73 0.00 0.00 179.01 177.95 2xj6 h ALA 238 N 1.04 0.41 -0.51 2.92 0.00 -0.45 -2.06 119.26 120.60 2xj6 h ALA 238 Ca 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2xj6 h ALA 238 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2xj6 h ALA 238 CO -0.01 0.40 0.05 1.25 0.00 0.00 0.00 179.25 180.94 2xj6 h HIS 239 N 0.41 0.94 -0.39 0.00 -0.00 -0.98 0.16 115.15 115.29 2xj6 h HIS 239 Ca 0.05 -0.14 0.05 0.00 -0.00 0.00 0.00 60.37 60.32 2xj6 h HIS 239 Cb 0.82 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.94 2xj6 h HIS 239 CO 0.07 0.86 0.14 0.37 -0.00 0.00 0.00 177.93 179.37 2xj6 h GLN 240 N 0.75 0.29 -0.27 5.26 4.15 -1.27 0.55 115.11 124.57 2xj6 h GLN 240 Ca 0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2xj6 h GLN 240 Cb 0.45 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 2xj6 h GLN 240 CO 0.02 0.19 0.18 0.87 -1.93 0.00 0.00 178.83 178.15 2xj6 h LYS 241 N 0.29 0.35 -0.02 1.69 1.57 -0.99 -1.71 116.57 117.76 2xj6 h LYS 241 Ca 0.18 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2xj6 h LYS 241 Cb 0.16 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2xj6 h LYS 241 CO -0.18 0.23 -0.33 1.25 -0.57 0.00 0.00 179.45 179.85 2xj6 h LEU 242 N 0.36 -0.99 -1.53 2.94 5.85 -0.42 -1.93 115.31 119.60 2xj6 h LEU 242 Ca 0.10 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2xj6 h LEU 242 Cb -0.04 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2xj6 h LEU 242 CO -0.03 -0.39 0.00 0.77 -0.34 0.00 0.00 178.44 178.46 2xj6 h SER 243 N -0.47 0.00 -0.20 1.25 4.64 -0.49 -2.36 113.55 115.91 2xj6 h SER 243 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2xj6 h SER 243 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2xj6 h SER 243 CO -0.28 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.06 2xj6 n GLU 244 N -2.37 2.71 -1.71 4.77 1.02 -0.68 -4.85 120.64 119.53 2xj6 n GLU 244 Ca -0.01 -2.18 -0.43 0.00 -0.02 0.00 0.00 57.16 54.52 2xj6 n GLU 244 Cb 0.07 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2xj6 n GLU 244 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2xj6 n LEU 245 N -0.22 3.86 0.00 -4.62 4.77 -0.89 -1.29 117.00 118.61 2xj6 n LEU 245 Ca 0.12 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 2xj6 n LEU 245 Cb 0.52 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 2xj6 n LEU 245 CO 0.07 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2xj6 n GLY 246 N 2.78 0.68 3.35 -0.72 0.00 -1.26 -4.35 105.19 105.67 2xj6 n GLY 246 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2xj6 n GLY 246 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2xj6 s PHE 247 N -3.02 2.80 -1.46 1.61 5.36 -0.41 -4.38 117.98 118.48 2xj6 s PHE 247 Ca 0.00 -0.70 -0.00 0.00 -0.96 0.00 0.00 56.93 55.26 2xj6 s PHE 247 Cb 0.00 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 2xj6 s PHE 247 CO 0.00 -0.25 0.04 0.00 -1.46 0.00 0.00 175.22 173.55 2xj6 n ALA 248 N 3.60 -0.53 -0.11 11.12 0.00 -1.26 -4.38 120.51 128.95 2xj6 n ALA 248 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2xj6 n ALA 248 Cb 0.53 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2xj6 n ALA 248 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2xj6 n ASP 249 N -1.32 -0.14 0.00 0.00 9.92 -1.26 -0.08 116.55 123.66 2xj6 n ASP 249 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 2xj6 n ASP 249 Cb 0.65 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 2xj6 n ASP 249 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33