#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x92 n HIS 0 N 0.00 1.59 0.00 1.61 -0.00 -1.26 -4.77 115.22 112.39 1x92 n HIS 0 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 57.72 58.32 1x92 n HIS 0 Cb 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 27.64 1x92 n HIS 0 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1x92 n MET 1 N 2.56 0.00 -0.22 1.57 0.00 -1.26 -1.58 117.12 118.19 1x92 n MET 1 Ca 0.18 0.56 -0.05 0.00 0.00 0.00 0.00 57.70 58.39 1x92 n MET 1 Cb 0.21 -0.89 0.10 0.00 0.00 0.00 0.00 33.22 32.63 1x92 n MET 1 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1x92 h ASP 2 N 0.00 0.99 -0.24 7.83 1.82 -1.99 -2.77 116.42 122.06 1x92 h ASP 2 Ca 0.00 -0.19 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 1x92 h ASP 2 Cb 0.00 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 1x92 h ASP 2 CO 0.00 0.94 0.09 0.24 -1.61 0.00 0.00 179.24 178.89 1x92 h MET 3 N 1.01 0.36 -0.03 0.28 2.86 -1.78 0.55 114.93 118.18 1x92 h MET 3 Ca 0.22 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 1x92 h MET 3 Cb 0.32 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1x92 h MET 3 CO -0.00 0.42 -0.41 -0.56 1.06 0.00 0.00 176.91 177.41 1x92 h GLN 4 N 0.22 0.06 -0.19 1.72 -0.00 -1.31 -1.90 115.11 113.71 1x92 h GLN 4 Ca 0.08 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 58.62 1x92 h GLN 4 Cb 0.20 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.68 1x92 h GLN 4 CO -0.00 0.46 -0.21 1.25 -0.00 0.00 0.00 178.83 180.33 1x92 h HIS 5 N 0.05 0.57 -0.46 0.06 2.76 -1.18 -2.52 115.15 114.42 1x92 h HIS 5 Ca 0.00 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1x92 h HIS 5 Cb 0.76 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1x92 h HIS 5 CO 0.00 0.84 0.27 -0.09 -1.30 0.00 0.00 177.93 177.66 1x92 h ARG 6 N 0.13 0.63 -0.47 5.26 9.65 -0.67 -0.84 114.38 128.08 1x92 h ARG 6 Ca 0.03 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1x92 h ARG 6 Cb 0.76 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 1x92 h ARG 6 CO 0.05 0.47 0.22 0.82 2.80 0.00 0.00 179.97 184.33 1x92 h ILE 7 N 0.61 1.19 -0.59 1.20 2.04 -1.37 -0.22 117.51 120.38 1x92 h ILE 7 Ca 0.16 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1x92 h ILE 7 Cb 0.01 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1x92 h ILE 7 CO -0.03 0.22 0.30 -0.09 0.00 0.00 0.00 178.15 178.54 1x92 h ARG 8 N 0.62 0.84 -0.69 2.37 2.43 -1.14 -0.87 114.38 117.92 1x92 h ARG 8 Ca 0.16 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1x92 h ARG 8 Cb 0.14 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1x92 h ARG 8 CO -0.02 0.66 0.41 0.37 -1.51 0.00 0.00 179.97 179.89 1x92 h GLN 9 N 0.80 0.94 -0.26 0.20 4.15 -0.64 -0.93 115.11 119.37 1x92 h GLN 9 Ca 0.20 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.37 1x92 h GLN 9 Cb 0.09 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1x92 h GLN 9 CO -0.03 0.67 -0.49 -0.07 -1.93 0.00 0.00 178.83 176.97 1x92 h LEU 10 N 0.96 0.88 -0.46 -2.39 3.38 -0.45 -0.71 115.31 116.52 1x92 h LEU 10 Ca 0.25 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1x92 h LEU 10 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1x92 h LEU 10 CO -0.05 1.26 0.23 -0.26 0.09 0.00 0.00 178.44 179.71 1x92 h PHE 11 N 0.54 0.65 -0.67 1.13 -1.00 -0.80 -0.29 116.94 116.51 1x92 h PHE 11 Ca 0.01 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1x92 h PHE 11 Cb 1.10 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 40.43 1x92 h PHE 11 CO 0.08 0.51 0.14 1.96 -1.61 0.00 0.00 178.31 179.39 1x92 h GLN 12 N 0.60 1.07 -0.11 1.51 4.20 -1.12 0.21 115.11 121.47 1x92 h GLN 12 Ca 0.16 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1x92 h GLN 12 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1x92 h GLN 12 CO -0.02 0.96 -0.43 0.00 -0.67 0.00 0.00 178.83 178.67 1x92 h ALA 13 N 1.13 1.06 -0.13 3.87 0.00 -0.69 0.21 119.26 124.72 1x92 h ALA 13 Ca 0.21 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1x92 h ALA 13 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x92 h ALA 13 CO 0.01 0.61 -0.11 1.03 0.00 0.00 0.00 179.25 180.78 1x92 h SER 14 N 0.22 0.33 -0.13 0.00 0.87 -0.34 -1.13 113.55 113.36 1x92 h SER 14 Ca 0.02 -0.47 0.03 0.00 -1.23 0.00 0.00 61.79 60.14 1x92 h SER 14 Cb 0.85 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1x92 h SER 14 CO 0.07 0.73 -0.03 0.40 -0.53 0.00 0.00 176.83 177.47 1x92 h ILE 15 N -0.06 0.88 -0.83 2.23 2.04 -0.46 -1.50 117.51 119.81 1x92 h ILE 15 Ca 0.02 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1x92 h ILE 15 Cb 0.63 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1x92 h ILE 15 CO 0.03 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 178.27 1x92 h GLU 16 N 0.01 1.17 -0.69 2.37 5.08 -0.50 -1.59 114.58 120.44 1x92 h GLU 16 Ca 0.06 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1x92 h GLU 16 Cb 0.09 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1x92 h GLU 16 CO -0.13 0.89 0.41 1.15 -1.00 0.00 0.00 179.01 180.33 1x92 h THR 17 N 1.16 1.20 -0.27 1.13 2.02 -1.01 -1.66 112.91 115.49 1x92 h THR 17 Ca 0.29 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 1x92 h THR 17 Cb 0.09 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1x92 h THR 17 CO -0.04 0.21 -0.04 0.11 0.37 0.00 0.00 175.52 176.13 1x92 h LYS 18 N 0.93 0.41 -0.24 6.66 1.57 -0.58 0.24 116.57 125.57 1x92 h LYS 18 Ca 0.25 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1x92 h LYS 18 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1x92 h LYS 18 CO -0.05 0.47 -0.26 1.96 -0.57 0.00 0.00 179.45 181.00 1x92 h GLN 19 N 0.39 0.46 0.01 3.15 4.20 -0.55 0.43 115.11 123.21 1x92 h GLN 19 Ca 0.09 -0.18 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 1x92 h GLN 19 Cb 0.32 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1x92 h GLN 19 CO 0.01 0.69 -0.90 1.96 -0.67 0.00 0.00 178.83 179.92 1x92 h GLN 20 N 0.41 0.17 -0.09 1.46 4.20 -0.82 -3.11 115.11 117.32 1x92 h GLN 20 Ca 0.06 -0.19 -0.18 0.00 0.06 0.00 0.00 58.65 58.40 1x92 h GLN 20 Cb 0.68 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1x92 h GLN 20 CO 0.05 0.96 -0.69 0.00 -0.67 0.00 0.00 178.83 178.48 1x92 h ALA 21 N 0.97 0.63 -0.05 3.87 0.00 -0.33 -1.89 119.26 122.46 1x92 h ALA 21 Ca -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.29 1x92 h ALA 21 Cb 1.55 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1x92 h ALA 21 CO 0.14 0.75 0.08 1.25 0.00 0.00 0.00 179.25 181.46 1x92 h LEU 22 N 0.29 0.00 0.00 0.00 5.85 -0.09 0.16 115.31 121.52 1x92 h LEU 22 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1x92 h LEU 22 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1x92 h LEU 22 CO 0.12 0.00 -0.63 -0.33 -0.34 0.00 0.00 178.44 177.26 1x92 h GLU 23 N 0.00 0.00 0.00 1.25 4.39 -1.30 -3.41 114.58 115.52 1x92 h GLU 23 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1x92 h GLU 23 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1x92 h GLU 23 CO -0.00 0.00 -0.31 1.33 -1.16 0.00 0.00 179.01 178.87 1x92 n VAL 24 N -2.34 0.00 0.02 3.13 0.24 -0.29 -4.89 118.33 114.20 1x92 n VAL 24 Ca 0.03 -0.14 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 1x92 n VAL 24 Cb 0.47 0.62 -0.13 0.00 -1.47 0.00 0.00 33.84 33.34 1x92 n VAL 24 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x92 h LEU 25 N 0.00 0.04 -0.93 1.34 3.38 -0.98 -3.40 115.31 114.76 1x92 h LEU 25 Ca 0.00 -0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.16 1x92 h LEU 25 Cb 0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 40.57 1x92 h LEU 25 CO 0.00 1.05 0.08 -0.65 0.09 0.00 0.00 178.44 179.01 1x92 h PRO 26 N 0.01 0.06 -0.55 1.13 0.11 -1.80 0.27 132.00 131.23 1x92 h PRO 26 Ca -0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1x92 h PRO 26 Cb 1.92 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.99 1x92 h PRO 26 CO 0.11 0.04 0.28 -1.35 -0.21 0.00 0.00 178.00 176.87 1x92 h PRO 27 N 0.06 0.77 -0.39 1.05 0.11 -1.97 -0.32 132.00 131.32 1x92 h PRO 27 Ca 0.56 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 66.43 1x92 h PRO 27 Cb 1.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1x92 h PRO 27 CO -0.82 0.61 -0.32 1.88 -0.21 0.00 0.00 178.00 179.14 1x92 h TYR 28 N 0.74 1.08 -0.90 0.65 0.05 -1.38 -1.31 116.97 115.89 1x92 h TYR 28 Ca 0.19 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 1x92 h TYR 28 Cb 0.08 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.54 1x92 h TYR 28 CO -0.01 1.12 0.54 0.82 -1.05 0.00 0.00 178.16 179.58 1x92 h ILE 29 N 0.72 1.25 -0.09 -2.88 2.04 -0.81 0.62 117.51 118.36 1x92 h ILE 29 Ca 0.07 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1x92 h ILE 29 Cb 0.91 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1x92 h ILE 29 CO 0.08 0.26 -0.03 -0.08 0.00 0.00 0.00 178.15 178.38 1x92 h GLU 30 N 1.25 0.18 -0.76 2.37 4.81 -0.84 -1.33 114.58 120.27 1x92 h GLU 30 Ca 0.32 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1x92 h GLU 30 Cb -0.05 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1x92 h GLU 30 CO -0.06 0.52 0.43 1.96 -0.73 0.00 0.00 179.01 181.14 1x92 h GLN 31 N -0.16 0.75 -0.81 1.92 4.20 -0.81 -1.15 115.11 119.05 1x92 h GLN 31 Ca 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1x92 h GLN 31 Cb 0.46 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1x92 h GLN 31 CO 0.01 0.49 0.42 0.00 -0.67 0.00 0.00 178.83 179.08 1x92 h ALA 32 N 1.40 1.04 -0.17 3.87 0.00 -0.77 -0.88 119.26 123.74 1x92 h ALA 32 Ca 0.35 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1x92 h ALA 32 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1x92 h ALA 32 CO -0.21 0.57 -0.24 0.66 0.00 0.00 0.00 179.25 180.03 1x92 h SER 33 N 1.13 0.30 -0.47 0.00 4.64 -0.09 -2.03 113.55 117.02 1x92 h SER 33 Ca 0.28 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1x92 h SER 33 Cb 0.07 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1x92 h SER 33 CO -0.04 0.55 -0.20 0.25 -0.87 0.00 0.00 176.83 176.52 1x92 h LEU 34 N 0.27 0.99 -0.73 5.97 5.85 -0.71 0.12 115.31 127.08 1x92 h LEU 34 Ca 0.04 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1x92 h LEU 34 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1x92 h LEU 34 CO 0.04 1.16 0.48 0.58 -0.34 0.00 0.00 178.44 180.36 1x92 h VAL 35 N 0.81 1.19 -0.24 1.05 2.07 -0.61 0.15 116.25 120.67 1x92 h VAL 35 Ca 0.11 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1x92 h VAL 35 Cb 0.78 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1x92 h VAL 35 CO 0.06 0.18 -0.05 0.24 0.02 0.00 0.00 177.57 178.03 1x92 h MET 36 N 0.98 0.46 -0.58 1.57 2.86 -1.20 -1.90 114.93 117.13 1x92 h MET 36 Ca 0.27 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1x92 h MET 36 Cb -0.11 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1x92 h MET 36 CO -0.06 0.68 0.37 0.28 1.06 0.00 0.00 176.91 179.25 1x92 h VAL 37 N 0.20 1.15 -0.33 -2.22 2.07 -0.57 0.12 116.25 116.68 1x92 h VAL 37 Ca 0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1x92 h VAL 37 Cb 0.51 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1x92 h VAL 37 CO 0.02 0.15 0.17 0.78 0.02 0.00 0.00 177.57 178.72 1x92 h ASN 38 N 0.78 0.43 -0.55 0.57 2.35 -0.84 -0.38 115.58 117.94 1x92 h ASN 38 Ca 0.21 -0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1x92 h ASN 38 Cb -0.07 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 1x92 h ASN 38 CO -0.04 0.41 0.27 0.00 -1.65 0.00 0.00 177.43 176.41 1x92 h ALA 39 N 1.03 0.71 -0.62 -0.83 0.00 -1.06 -0.94 119.26 117.55 1x92 h ALA 39 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1x92 h ALA 39 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1x92 h ALA 39 CO -0.02 -0.09 0.03 -0.07 0.00 0.00 0.00 179.25 179.10 1x92 h LEU 40 N 0.51 1.04 -1.29 0.00 3.38 -0.48 0.45 115.31 118.93 1x92 h LEU 40 Ca 0.25 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1x92 h LEU 40 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1x92 h LEU 40 CO -0.19 1.07 -0.14 -0.07 0.09 0.00 0.00 178.44 179.21 1x92 h LEU 41 N 0.98 0.29 -2.13 1.67 3.38 -0.69 -1.49 115.31 117.33 1x92 h LEU 41 Ca 0.18 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1x92 h LEU 41 Cb 0.52 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1x92 h LEU 41 CO 0.03 0.47 0.07 0.59 0.09 0.00 0.00 178.44 179.68 1x92 n ASN 42 N -4.24 2.82 -0.95 -0.43 3.02 -0.39 -4.82 115.26 110.28 1x92 n ASN 42 Ca -0.00 -2.39 -0.12 0.00 -0.03 0.00 0.00 54.58 52.03 1x92 n ASN 42 Cb 0.29 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.83 1x92 n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1x92 n GLU 43 N 0.13 -1.01 -1.81 3.52 1.02 -0.56 -5.00 120.64 116.94 1x92 n GLU 43 Ca 0.13 0.92 -0.20 0.00 -0.02 0.00 0.00 57.16 57.99 1x92 n GLU 43 Cb 0.68 -5.00 0.12 0.00 -0.02 0.00 0.00 31.44 27.22 1x92 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x92 n GLY 44 N -1.16 -0.25 3.30 0.62 0.00 0.15 -5.00 105.19 102.85 1x92 n GLY 44 Ca -0.12 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.87 1x92 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x92 s LYS 45 N -4.79 1.34 -0.11 1.61 -2.85 -1.26 -4.43 119.74 109.24 1x92 s LYS 45 Ca 0.53 -1.71 0.03 0.00 -1.00 0.00 0.00 55.97 53.82 1x92 s LYS 45 Cb -0.02 -0.24 -0.00 0.00 -2.06 0.00 0.00 37.83 35.51 1x92 s LYS 45 CO 0.36 -0.26 -0.20 0.42 0.10 0.00 0.00 175.35 175.77 1x92 s ILE 46 N -3.75 2.36 -0.07 3.79 1.01 -0.41 -1.82 121.20 122.31 1x92 s ILE 46 Ca 0.35 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1x92 s ILE 46 Cb 0.07 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1x92 s ILE 46 CO 0.12 0.55 -0.03 -0.76 0.00 0.00 0.00 174.94 174.81 1x92 s LEU 47 N 0.41 3.40 0.08 2.97 1.43 0.19 0.17 118.68 127.32 1x92 s LEU 47 Ca -0.15 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1x92 s LEU 47 Cb -0.17 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1x92 s LEU 47 CO 0.07 0.36 -0.15 -0.94 0.23 0.00 0.00 176.35 175.92 1x92 s SER 48 N -0.95 1.84 0.19 2.29 1.04 -0.47 -0.02 113.70 117.62 1x92 s SER 48 Ca 0.14 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.74 1x92 s SER 48 Cb -0.11 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1x92 s SER 48 CO 0.03 -0.07 0.51 0.00 0.98 0.00 0.00 173.24 174.69 1x92 n GLY 50 N -0.33 1.14 3.52 0.00 0.00 -1.26 -1.52 105.19 106.74 1x92 n GLY 50 Ca -0.11 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1x92 n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x92 s ASN 51 N 0.00 4.08 1.24 1.61 -0.87 -1.26 -3.67 114.94 116.07 1x92 s ASN 51 Ca 0.00 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 50.78 1x92 s ASN 51 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.25 40.58 1x92 s ASN 51 CO 0.00 0.17 0.00 0.61 -2.57 0.00 0.00 177.10 175.31 1x92 n GLY 52 N 0.71 3.49 0.29 0.66 0.00 -1.26 -0.69 105.19 108.39 1x92 n GLY 52 Ca -0.15 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1x92 n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x92 h GLY 53 N 0.00 0.31 2.00 -0.02 0.00 -1.99 0.12 103.07 103.48 1x92 h GLY 53 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1x92 h GLY 53 CO 0.00 0.11 -0.35 1.76 0.00 0.00 0.00 176.54 178.07 1x92 h SER 54 N 0.30 0.00 0.55 0.19 0.02 -1.24 -0.68 113.55 112.68 1x92 h SER 54 Ca 0.08 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 1x92 h SER 54 Cb -0.03 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1x92 h SER 54 CO -0.02 0.35 -0.67 0.00 -1.14 0.00 0.00 176.83 175.35 1x92 h ALA 55 N 1.65 0.83 -0.64 3.77 0.00 -0.59 0.25 119.26 124.54 1x92 h ALA 55 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1x92 h ALA 55 Cb 0.86 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1x92 h ALA 55 CO 0.05 0.81 0.17 0.78 0.00 0.00 0.00 179.25 181.05 1x92 h GLY 56 N 1.79 1.07 1.38 0.00 0.00 -0.57 -2.51 103.07 104.22 1x92 h GLY 56 Ca -0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 47.33 46.54 1x92 h GLY 56 CO 0.10 0.59 -0.45 -0.55 0.00 0.00 0.00 176.54 176.22 1x92 h ASP 57 N 0.95 0.72 -0.76 0.19 3.32 -0.79 -0.58 116.42 119.48 1x92 h ASP 57 Ca 0.21 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.93 1x92 h ASP 57 Cb 0.32 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1x92 h ASP 57 CO -0.00 1.07 0.49 0.00 -1.72 0.00 0.00 179.24 179.08 1x92 h ALA 58 N 0.96 0.98 0.00 3.45 0.00 -0.54 -0.35 119.26 123.76 1x92 h ALA 58 Ca 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x92 h ALA 58 Cb 1.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x92 h ALA 58 CO 0.09 0.33 -0.37 -0.56 0.00 0.00 0.00 179.25 178.74 1x92 h GLN 59 N 0.99 0.00 -0.16 0.00 3.07 -1.29 -2.02 115.11 115.70 1x92 h GLN 59 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.99 1x92 h GLN 59 Cb -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.50 1x92 h GLN 59 CO -0.09 0.04 -0.07 1.25 0.09 0.00 0.00 178.83 180.05 1x92 h HIS 60 N 0.00 0.37 -0.21 0.06 2.76 -0.72 -0.31 115.15 117.10 1x92 h HIS 60 Ca -0.00 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.09 1x92 h HIS 60 Cb 1.04 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.89 1x92 h HIS 60 CO 0.00 0.63 0.08 0.35 -1.30 0.00 0.00 177.93 177.70 1x92 h PHE 61 N 0.00 0.15 -0.54 5.26 3.57 -0.98 -1.20 116.94 123.20 1x92 h PHE 61 Ca 0.04 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1x92 h PHE 61 Cb 0.53 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1x92 h PHE 61 CO 0.06 0.08 0.35 0.66 -2.23 0.00 0.00 178.31 177.23 1x92 h SER 62 N 0.19 0.60 0.01 0.41 4.64 -1.28 -2.34 113.55 115.79 1x92 h SER 62 Ca 0.09 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1x92 h SER 62 Cb 0.05 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1x92 h SER 62 CO -0.08 0.43 -0.19 0.77 -0.87 0.00 0.00 176.83 176.88 1x92 h SER 63 N 0.71 0.32 -0.82 4.97 4.64 -0.73 0.71 113.55 123.35 1x92 h SER 63 Ca 0.20 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1x92 h SER 63 Cb -0.06 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 1x92 h SER 63 CO -0.05 0.54 0.46 -0.33 -0.87 0.00 0.00 176.83 176.57 1x92 h GLU 64 N 0.30 1.14 0.11 4.77 4.39 -0.70 -0.61 114.58 123.99 1x92 h GLU 64 Ca 0.05 -0.12 -0.22 0.00 0.34 0.00 0.00 59.36 59.41 1x92 h GLU 64 Cb 0.52 -0.23 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1x92 h GLU 64 CO 0.03 0.83 -0.94 -0.07 -1.16 0.00 0.00 179.01 177.70 1x92 h LEU 65 N 1.14 0.63 -1.07 1.33 3.38 -1.07 -2.19 115.31 117.45 1x92 h LEU 65 Ca 0.29 -0.87 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 1x92 h LEU 65 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1x92 h LEU 65 CO -0.05 1.44 -0.27 -0.07 0.09 0.00 0.00 178.44 179.58 1x92 h LEU 66 N -0.09 0.00 0.00 1.67 3.38 -0.77 0.16 115.31 119.66 1x92 h LEU 66 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x92 h LEU 66 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1x92 h LEU 66 CO 0.18 0.27 0.00 -3.20 0.09 0.00 0.00 178.44 175.78 1x92 n ASN 67 N -3.44 0.00 -3.55 -0.43 5.15 -0.24 -4.56 115.26 108.18 1x92 n ASN 67 Ca -0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 1x92 n ASN 67 Cb 0.45 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.66 1x92 n ASN 67 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1x92 s ARG 68 N 0.00 0.68 0.00 1.20 3.52 -0.85 -4.42 118.95 119.09 1x92 s ARG 68 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1x92 s ARG 68 Cb 0.00 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1x92 s ARG 68 CO 0.00 -0.24 0.00 0.34 -0.81 0.00 0.00 175.30 174.59 1x92 n PHE 69 N 0.42 0.00 0.00 5.12 7.35 -1.09 -4.52 117.46 124.74 1x92 n PHE 69 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 1x92 n PHE 69 Cb 0.59 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 40.41 1x92 n PHE 69 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1x92 n GLU 70 N -2.32 0.00 -2.01 -4.13 1.02 -1.26 -5.09 120.64 106.85 1x92 n GLU 70 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1x92 n GLU 70 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1x92 n GLU 70 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1x92 s ARG 71 N -0.90 3.15 -0.10 3.49 1.70 -1.26 -4.93 118.95 120.09 1x92 s ARG 71 Ca 0.00 1.90 -0.29 0.00 -0.47 0.00 0.00 55.73 56.87 1x92 s ARG 71 Cb 0.00 -2.09 -0.04 0.00 -0.57 0.00 0.00 34.95 32.26 1x92 s ARG 71 CO 0.00 -1.08 1.45 -2.00 -1.08 0.00 0.00 175.30 172.59 1x92 s GLU 72 N -3.12 4.21 0.24 3.89 2.56 -1.26 -4.96 118.70 120.26 1x92 s GLU 72 Ca 0.74 1.92 -0.22 0.00 0.00 0.00 0.00 54.97 57.41 1x92 s GLU 72 Cb -0.32 -3.85 0.04 0.00 2.00 0.00 0.00 34.13 31.99 1x92 s GLU 72 CO 0.36 -0.76 0.69 -0.98 -0.56 0.00 0.00 175.26 174.01 1x92 s ARG 73 N 3.67 1.61 0.73 4.30 1.04 -1.26 -5.15 118.95 123.89 1x92 s ARG 73 Ca 0.64 -0.82 -0.15 0.00 -1.04 0.00 0.00 55.73 54.36 1x92 s ARG 73 Cb -0.28 0.60 0.04 0.00 -2.04 0.00 0.00 34.95 33.27 1x92 s ARG 73 CO 0.22 -0.73 1.20 -1.25 -0.04 0.00 0.00 175.30 174.70 1x92 s PRO 74 N -3.85 2.13 0.42 3.89 0.04 -1.26 -4.92 135.00 131.46 1x92 s PRO 74 Ca 0.08 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 1x92 s PRO 74 Cb -0.04 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 1x92 s PRO 74 CO 0.01 -1.83 1.30 -1.54 0.04 0.00 0.00 177.00 174.97 1x92 s SER 75 N -2.08 6.22 0.01 6.66 1.04 -1.26 -4.99 113.70 119.29 1x92 s SER 75 Ca 0.74 2.64 0.03 0.00 0.48 0.00 0.00 55.95 59.83 1x92 s SER 75 Cb -0.28 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.17 1x92 s SER 75 CO 0.46 -0.91 -0.06 -0.76 0.98 0.00 0.00 173.24 172.95 1x92 s LEU 76 N -2.56 3.21 -0.40 2.42 1.43 0.57 -4.97 118.68 118.39 1x92 s LEU 76 Ca 0.58 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 53.26 1x92 s LEU 76 Cb -0.37 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1x92 s LEU 76 CO 0.48 0.28 1.36 -2.16 0.23 0.00 0.00 176.35 176.54 1x92 s PRO 77 N -1.46 3.65 -0.00 1.29 0.04 -1.26 -3.42 135.00 133.84 1x92 s PRO 77 Ca 0.18 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1x92 s PRO 77 Cb -0.11 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1x92 s PRO 77 CO 0.08 -1.46 0.13 0.00 0.04 0.00 0.00 177.00 175.78 1x92 s ALA 78 N 5.13 -0.29 -0.07 8.56 0.00 -1.26 -1.29 121.76 132.54 1x92 s ALA 78 Ca 0.59 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.39 1x92 s ALA 78 Cb -0.14 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.11 1x92 s ALA 78 CO 0.31 -0.19 0.15 0.08 0.00 0.00 0.00 175.76 176.10 1x92 s VAL 79 N -1.28 -0.13 -0.03 0.00 1.01 0.13 -4.89 120.40 115.20 1x92 s VAL 79 Ca -0.14 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 1x92 s VAL 79 Cb -0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1x92 s VAL 79 CO 0.01 0.11 0.73 0.00 0.00 0.00 0.00 175.10 175.95 1x92 s ALA 80 N 1.63 3.34 -2.24 5.51 0.00 -1.26 -1.37 121.76 127.37 1x92 s ALA 80 Ca -0.04 0.19 0.20 0.00 0.00 0.00 0.00 51.96 52.31 1x92 s ALA 80 Cb -0.12 -2.97 0.69 0.00 0.00 0.00 0.00 23.12 20.72 1x92 s ALA 80 CO -0.06 -0.04 1.51 1.28 0.00 0.00 0.00 175.76 178.45 1x92 n LEU 81 N 3.44 1.74 -0.49 0.00 4.77 0.08 -3.87 117.00 122.68 1x92 n LEU 81 Ca -0.02 -0.75 0.10 0.00 -0.03 0.00 0.00 56.01 55.31 1x92 n LEU 81 Cb 0.51 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1x92 n LEU 81 CO 0.47 0.37 0.32 0.35 -1.33 0.00 0.00 177.39 177.58 1x92 n THR 82 N 0.38 0.00 0.01 -5.08 -2.24 -1.26 -4.70 114.28 101.39 1x92 n THR 82 Ca 0.16 -0.32 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1x92 n THR 82 Cb 0.33 1.25 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 1x92 n THR 82 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x92 n THR 83 N 0.10 1.11 -2.54 4.28 -2.24 -1.25 -4.77 114.28 108.96 1x92 n THR 83 Ca 0.09 -0.70 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 1x92 n THR 83 Cb 0.42 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1x92 n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x92 s ASP 84 N -5.62 6.25 0.38 3.42 -1.08 -1.26 -4.86 116.67 113.90 1x92 s ASP 84 Ca -0.04 -0.78 0.06 0.00 -0.52 0.00 0.00 52.55 51.26 1x92 s ASP 84 Cb 0.09 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.75 1x92 s ASP 84 CO 0.82 -1.74 2.01 0.77 0.52 0.00 0.00 175.17 177.55 1x92 h SER 85 N 10.04 0.60 -0.42 -0.34 4.64 -1.98 -0.29 113.55 125.80 1x92 h SER 85 Ca -0.11 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1x92 h SER 85 Cb 1.04 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1x92 h SER 85 CO 1.33 0.42 -0.00 0.28 -0.87 0.00 0.00 176.83 177.99 1x92 h SER 86 N 0.70 0.73 0.02 4.97 0.02 -1.99 0.83 113.55 118.83 1x92 h SER 86 Ca 0.23 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1x92 h SER 86 Cb 0.05 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1x92 h SER 86 CO -0.06 0.86 -0.01 0.74 -1.14 0.00 0.00 176.83 177.22 1x92 h THR 87 N 0.58 1.19 -0.11 -2.27 2.02 -1.80 -1.43 112.91 111.08 1x92 h THR 87 Ca 0.12 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1x92 h THR 87 Cb 0.49 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1x92 h THR 87 CO 0.02 0.16 0.07 0.40 0.37 0.00 0.00 175.52 176.54 1x92 h ILE 88 N -0.30 1.05 -0.50 3.11 2.04 -0.98 -0.74 117.51 121.20 1x92 h ILE 88 Ca -0.00 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1x92 h ILE 88 Cb 0.29 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1x92 h ILE 88 CO 0.00 0.05 0.03 0.71 0.00 0.00 0.00 178.15 178.94 1x92 h THR 89 N 0.12 1.26 -0.47 -0.27 1.35 -0.88 -1.57 112.91 112.44 1x92 h THR 89 Ca 0.04 -1.04 -0.13 0.00 -0.55 0.00 0.00 66.41 64.73 1x92 h THR 89 Cb 0.02 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 1x92 h THR 89 CO -0.01 0.37 -0.22 0.77 -0.25 0.00 0.00 175.52 176.18 1x92 h SER 90 N 0.73 1.01 -0.41 5.36 4.64 -1.10 0.10 113.55 123.89 1x92 h SER 90 Ca 0.15 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1x92 h SER 90 Cb 0.48 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1x92 h SER 90 CO 0.02 1.18 0.16 0.40 -0.87 0.00 0.00 176.83 177.73 1x92 h ILE 91 N 0.83 1.20 -0.38 0.95 2.04 -1.07 0.11 117.51 121.17 1x92 h ILE 91 Ca 0.11 -0.61 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 1x92 h ILE 91 Cb 0.80 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1x92 h ILE 91 CO 0.07 0.22 -0.21 0.00 0.00 0.00 0.00 178.15 178.23 1x92 h ALA 92 N 1.01 0.91 -0.14 1.87 0.00 -1.15 -1.49 119.26 120.27 1x92 h ALA 92 Ca 0.14 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1x92 h ALA 92 Cb 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x92 h ALA 92 CO -0.01 0.62 -0.77 -0.97 0.00 0.00 0.00 179.25 178.12 1x92 h ASN 93 N 0.66 0.83 0.76 0.00 -0.00 -0.67 -3.23 115.58 113.93 1x92 h ASN 93 Ca 0.09 -0.54 -0.25 0.00 -0.00 0.00 0.00 56.30 55.60 1x92 h ASN 93 Cb 0.71 -0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 1x92 h ASN 93 CO 0.05 1.33 -1.18 0.44 -0.00 0.00 0.00 177.43 178.07 1x92 h ASP 94 N 0.48 0.24 0.00 1.15 3.45 -0.88 -3.45 116.42 117.41 1x92 h ASP 94 Ca -0.05 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.15 1x92 h ASP 94 Cb 1.38 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1x92 h ASP 94 CO 0.15 1.21 0.00 -1.22 -1.57 0.00 0.00 179.24 177.81 1x92 n TYR 95 N -3.44 0.00 -3.58 4.55 4.02 -0.57 -5.10 117.16 113.05 1x92 n TYR 95 Ca -0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.70 1x92 n TYR 95 Cb 0.99 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.25 1x92 n TYR 95 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x92 s SER 96 N 1.00 -0.55 0.60 7.72 0.15 -1.17 -4.97 113.70 116.47 1x92 s SER 96 Ca 0.00 0.78 0.31 0.00 0.70 0.00 0.00 55.95 57.73 1x92 s SER 96 Cb 0.00 0.69 1.80 0.00 -1.71 0.00 0.00 66.02 66.80 1x92 s SER 96 CO 0.00 -0.39 2.19 0.22 1.20 0.00 0.00 173.24 176.46 1x92 h TYR 97 N 3.42 0.00 0.00 3.44 3.20 -1.83 -0.97 116.97 124.23 1x92 h TYR 97 Ca -0.25 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1x92 h TYR 97 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1x92 h TYR 97 CO 0.35 0.00 0.00 -0.91 -1.64 0.00 0.00 178.16 175.96 1x92 h ASN 98 N 0.00 0.00 -0.02 -2.11 2.35 -1.93 -2.65 115.58 111.21 1x92 h ASN 98 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1x92 h ASN 98 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1x92 h ASN 98 CO -0.00 0.00 -0.11 -0.62 -1.65 0.00 0.00 177.43 175.05 1x92 n GLU 99 N -2.48 2.05 -0.31 0.81 1.02 -0.37 -4.33 120.64 117.03 1x92 n GLU 99 Ca 0.00 -1.69 0.18 0.00 -0.02 0.00 0.00 57.16 55.64 1x92 n GLU 99 Cb 0.17 -1.47 0.44 0.00 -0.02 0.00 0.00 31.44 30.57 1x92 n GLU 99 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1x92 h VAL 100 N 4.12 0.63 0.06 2.62 -1.51 -1.58 -1.78 116.25 118.80 1x92 h VAL 100 Ca 0.00 -0.18 -0.38 0.00 -1.23 0.00 0.00 66.70 64.91 1x92 h VAL 100 Cb 0.93 0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1x92 h VAL 100 CO 0.00 0.10 -2.21 0.49 -1.23 0.00 0.00 177.57 174.71 1x92 n PHE 101 N -4.65 0.61 -0.25 5.19 0.99 -1.26 -4.10 117.46 113.98 1x92 n PHE 101 Ca 0.23 0.14 -0.06 0.00 -0.00 0.00 0.00 57.45 57.76 1x92 n PHE 101 Cb 0.72 -1.08 0.05 0.00 -1.00 0.00 0.00 39.48 38.17 1x92 n PHE 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1x92 h SER 102 N -0.07 0.86 -0.47 4.37 4.64 -1.76 0.10 113.55 121.23 1x92 h SER 102 Ca -0.51 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.70 1x92 h SER 102 Cb 1.92 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.76 1x92 h SER 102 CO -0.03 0.70 0.20 0.11 -0.87 0.00 0.00 176.83 176.93 1x92 h LYS 103 N 0.95 0.75 -0.19 4.77 1.57 -1.54 0.12 116.57 123.00 1x92 h LYS 103 Ca 0.25 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 1x92 h LYS 103 Cb 0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1x92 h LYS 103 CO -0.04 0.63 -0.53 1.96 -0.57 0.00 0.00 179.45 180.90 1x92 h GLN 104 N 0.74 0.54 -0.51 3.15 4.20 -1.50 -2.75 115.11 118.99 1x92 h GLN 104 Ca 0.18 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 1x92 h GLN 104 Cb 0.16 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1x92 h GLN 104 CO -0.02 0.93 -0.16 0.82 -0.67 0.00 0.00 178.83 179.73 1x92 h ILE 105 N 0.42 1.27 -0.42 2.54 2.04 -0.47 0.32 117.51 123.20 1x92 h ILE 105 Ca 0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1x92 h ILE 105 Cb 1.06 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1x92 h ILE 105 CO 0.10 0.46 0.15 0.03 0.00 0.00 0.00 178.15 178.89 1x92 h ARG 106 N 0.88 0.61 0.17 2.37 3.08 -0.88 0.47 114.38 121.08 1x92 h ARG 106 Ca 0.12 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 1x92 h ARG 106 Cb 0.74 -0.11 0.03 0.00 0.08 0.00 0.00 29.97 30.70 1x92 h ARG 106 CO 0.06 0.52 -1.00 0.00 -1.07 0.00 0.00 179.97 178.48 1x92 h ALA 107 N 1.56 -0.11 0.00 0.04 0.00 -1.16 -3.40 119.26 116.19 1x92 h ALA 107 Ca 0.15 -0.74 -0.28 0.00 0.00 0.00 0.00 54.91 54.03 1x92 h ALA 107 Cb 0.16 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1x92 h ALA 107 CO -0.01 0.47 -1.76 1.28 0.00 0.00 0.00 179.25 179.22 1x92 n LEU 108 N -4.01 0.73 -4.76 0.00 4.77 0.11 -4.94 117.00 108.90 1x92 n LEU 108 Ca -0.15 0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.78 1x92 n LEU 108 Cb 0.90 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 42.16 1x92 n LEU 108 CO 0.52 0.36 0.86 -0.83 -1.33 0.00 0.00 177.39 176.97 1x92 s GLY 109 N -5.11 3.02 0.09 -0.72 0.00 0.16 -5.04 107.32 99.73 1x92 s GLY 109 Ca -0.05 1.03 0.06 0.00 0.00 0.00 0.00 44.72 45.76 1x92 s GLY 109 CO 0.82 1.63 -0.16 1.20 0.00 0.00 0.00 173.10 176.60 1x92 s GLN 110 N -1.68 0.96 0.17 2.90 -1.52 -1.26 -4.90 119.66 114.33 1x92 s GLN 110 Ca 0.48 -1.09 -0.34 0.00 -1.95 0.00 0.00 55.36 52.46 1x92 s GLN 110 Cb -0.34 -1.02 -0.14 0.00 -0.22 0.00 0.00 33.01 31.29 1x92 s GLN 110 CO 0.45 0.22 1.55 -0.35 -0.25 0.00 0.00 175.29 176.91 1x92 n PRO 111 N 1.03 2.09 0.00 2.91 -0.04 -1.09 -0.44 135.00 139.46 1x92 n PRO 111 Ca -0.19 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1x92 n PRO 111 Cb 0.55 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1x92 n PRO 111 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x92 n GLY 112 N 3.24 1.24 3.78 0.55 0.00 -0.58 -4.98 105.19 108.44 1x92 n GLY 112 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1x92 n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x92 s ASP 113 N -2.08 3.55 -0.01 1.61 1.01 0.41 -4.63 116.67 116.53 1x92 s ASP 113 Ca 0.00 1.03 0.06 0.00 0.71 0.00 0.00 52.55 54.34 1x92 s ASP 113 Cb 0.00 -1.63 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 1x92 s ASP 113 CO 0.00 -2.54 -0.18 -0.69 0.21 0.00 0.00 175.17 171.98 1x92 s VAL 114 N -3.23 1.40 -0.19 -1.27 1.01 -0.75 -1.88 120.40 115.47 1x92 s VAL 114 Ca 0.64 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1x92 s VAL 114 Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1x92 s VAL 114 CO 0.54 0.37 -0.00 -0.22 0.00 0.00 0.00 175.10 175.79 1x92 s LEU 115 N -0.47 3.28 -0.48 3.92 2.96 -0.17 -0.64 118.68 127.08 1x92 s LEU 115 Ca 0.07 -0.18 -0.16 0.00 -0.22 0.00 0.00 54.13 53.64 1x92 s LEU 115 Cb -0.07 -1.83 0.08 0.00 0.50 0.00 0.00 46.19 44.87 1x92 s LEU 115 CO -0.00 0.08 0.41 -0.22 -1.32 0.00 0.00 176.35 175.30 1x92 s LEU 116 N 0.90 5.68 -0.31 -0.68 2.96 0.98 0.00 118.68 128.21 1x92 s LEU 116 Ca 0.01 -1.37 -0.11 0.00 -0.22 0.00 0.00 54.13 52.44 1x92 s LEU 116 Cb -0.14 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 1x92 s LEU 116 CO 0.02 -0.68 0.18 0.00 -1.32 0.00 0.00 176.35 174.55 1x92 s ALA 117 N 1.66 3.38 -0.17 5.97 0.00 -0.05 -1.46 121.76 131.09 1x92 s ALA 117 Ca 0.04 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1x92 s ALA 117 Cb -0.25 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 1x92 s ALA 117 CO 0.06 -0.80 -0.09 0.42 0.00 0.00 0.00 175.76 175.36 1x92 s ILE 118 N 1.67 3.24 -0.28 0.00 1.01 -0.58 -0.10 121.20 126.16 1x92 s ILE 118 Ca 0.06 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 1x92 s ILE 118 Cb -0.17 -2.42 0.09 0.00 0.01 0.00 0.00 42.46 39.97 1x92 s ILE 118 CO 0.08 0.48 0.72 -0.55 0.00 0.00 0.00 174.94 175.67 1x92 s SER 119 N 0.87 -0.90 0.37 3.58 0.15 -0.05 -4.33 113.70 113.39 1x92 s SER 119 Ca -0.02 1.46 0.25 0.00 0.70 0.00 0.00 55.95 58.33 1x92 s SER 119 Cb -0.15 1.38 0.59 0.00 -1.71 0.00 0.00 66.02 66.13 1x92 s SER 119 CO 0.01 -0.23 1.69 0.71 1.20 0.00 0.00 173.24 176.62 1x92 h THR 120 N 4.95 0.00 0.00 6.45 1.35 -1.89 -3.25 112.91 120.52 1x92 h THR 120 Ca -0.30 -0.77 -0.06 0.00 -0.55 0.00 0.00 66.41 64.73 1x92 h THR 120 Cb 1.22 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1x92 h THR 120 CO 0.16 0.00 -1.68 -1.54 -0.25 0.00 0.00 175.52 172.21 1x92 n SER 121 N -2.81 1.92 0.00 5.36 3.41 -1.26 -2.98 113.62 117.26 1x92 n SER 121 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1x92 n SER 121 Cb 0.47 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 65.82 1x92 n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x92 n GLY 122 N 1.87 0.91 0.83 5.00 0.00 -1.24 -3.27 105.19 109.28 1x92 n GLY 122 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1x92 n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x92 n ASN 123 N 0.00 3.34 -4.68 1.61 3.02 -1.26 -0.60 115.26 116.69 1x92 n ASN 123 Ca 0.00 -2.22 -0.42 0.00 -0.03 0.00 0.00 54.58 51.91 1x92 n ASN 123 Cb 0.00 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1x92 n ASN 123 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x92 s SER 124 N -1.16 6.97 0.21 6.41 0.01 -1.26 -4.91 113.70 119.97 1x92 s SER 124 Ca 0.31 1.89 -0.09 0.00 1.31 0.00 0.00 55.95 59.36 1x92 s SER 124 Cb 0.19 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 64.05 1x92 s SER 124 CO 0.17 -0.66 1.87 0.00 0.41 0.00 0.00 173.24 175.03 1x92 h ALA 125 N 7.74 0.98 -0.38 1.44 0.00 -1.96 -1.23 119.26 125.85 1x92 h ALA 125 Ca -0.34 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1x92 h ALA 125 Cb 1.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1x92 h ALA 125 CO 0.90 0.32 0.14 -2.95 0.00 0.00 0.00 179.25 177.67 1x92 h ASN 126 N 0.98 0.48 0.14 0.00 -0.00 -1.85 0.16 115.58 115.49 1x92 h ASN 126 Ca 0.29 -0.05 -0.22 0.00 -0.00 0.00 0.00 56.30 56.33 1x92 h ASN 126 Cb -0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.16 1x92 h ASN 126 CO -0.09 0.44 -0.85 0.58 -0.00 0.00 0.00 177.43 177.52 1x92 h VAL 127 N 0.53 1.34 -0.22 6.14 2.07 -1.71 -0.54 116.25 123.87 1x92 h VAL 127 Ca 0.13 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1x92 h VAL 127 Cb 0.12 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1x92 h VAL 127 CO -0.01 0.67 0.14 0.40 0.02 0.00 0.00 177.57 178.79 1x92 h ILE 128 N 0.35 1.06 0.00 4.57 2.04 -0.75 0.28 117.51 125.05 1x92 h ILE 128 Ca -0.06 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1x92 h ILE 128 Cb 1.47 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1x92 h ILE 128 CO 0.16 0.06 -0.13 1.56 0.00 0.00 0.00 178.15 179.79 1x92 h GLN 129 N 0.29 0.00 -0.19 2.37 4.20 -0.59 -2.40 115.11 118.79 1x92 h GLN 129 Ca 0.08 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 1x92 h GLN 129 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1x92 h GLN 129 CO -0.02 0.13 -0.40 0.00 -0.67 0.00 0.00 178.83 177.88 1x92 h ALA 130 N 1.87 0.30 -0.50 3.87 0.00 0.66 -0.40 119.26 125.06 1x92 h ALA 130 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1x92 h ALA 130 Cb 0.44 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1x92 h ALA 130 CO 0.02 0.40 0.31 0.82 0.00 0.00 0.00 179.25 180.80 1x92 h ILE 131 N 0.27 1.08 -0.65 0.00 2.04 -0.83 0.19 117.51 119.61 1x92 h ILE 131 Ca 0.00 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1x92 h ILE 131 Cb 1.00 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1x92 h ILE 131 CO 0.09 0.11 0.16 -0.61 0.00 0.00 0.00 178.15 177.90 1x92 h GLN 132 N 0.63 1.03 -0.35 2.37 5.75 -1.28 0.16 115.11 123.41 1x92 h GLN 132 Ca 0.19 -0.23 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1x92 h GLN 132 Cb -0.02 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 1x92 h GLN 132 CO -0.07 0.91 -0.16 0.00 -2.65 0.00 0.00 178.83 176.86 1x92 h ALA 133 N 1.19 1.08 -0.33 3.38 0.00 -0.23 -1.46 119.26 122.89 1x92 h ALA 133 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1x92 h ALA 133 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1x92 h ALA 133 CO -0.00 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.64 1x92 h ALA 134 N 1.26 1.08 -0.39 0.00 0.00 0.04 -1.50 119.26 119.75 1x92 h ALA 134 Ca 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1x92 h ALA 134 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1x92 h ALA 134 CO 0.04 0.56 -0.05 0.45 0.00 0.00 0.00 179.25 180.25 1x92 h HIS 135 N 0.55 0.80 0.00 0.00 -0.00 -0.61 0.21 115.15 116.10 1x92 h HIS 135 Ca 0.09 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 1x92 h HIS 135 Cb 0.61 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 27.82 1x92 h HIS 135 CO 0.02 0.84 -0.05 -0.44 -0.00 0.00 0.00 177.93 178.30 1x92 h ASP 136 N 0.53 0.00 -0.61 2.45 3.32 -0.75 -0.32 116.42 121.05 1x92 h ASP 136 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1x92 h ASP 136 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1x92 h ASP 136 CO 0.03 0.05 0.00 0.54 -1.72 0.00 0.00 179.24 178.14 1x92 n ARG 137 N -3.41 3.25 -3.63 3.56 5.12 -0.61 -4.94 116.66 116.00 1x92 n ARG 137 Ca -0.02 -2.55 -0.23 0.00 -1.93 0.00 0.00 57.85 53.12 1x92 n ARG 137 Cb 0.18 -1.76 0.07 0.00 -1.16 0.00 0.00 32.46 29.79 1x92 n ARG 137 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1x92 n GLU 138 N 1.13 -7.03 -4.07 5.56 1.02 -0.13 -2.68 120.64 114.43 1x92 n GLU 138 Ca 0.23 0.78 -0.25 0.00 -0.02 0.00 0.00 57.16 57.90 1x92 n GLU 138 Cb 0.75 -5.76 -0.05 0.00 -0.02 0.00 0.00 31.44 26.37 1x92 n GLU 138 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1x92 s MET 139 N -6.15 2.97 0.31 3.49 -1.94 0.68 -1.53 119.30 117.13 1x92 s MET 139 Ca 0.44 -0.88 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1x92 s MET 139 Cb -0.20 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.93 1x92 s MET 139 CO 0.75 0.47 0.54 -0.51 -0.01 0.00 0.00 175.02 176.26 1x92 s LEU 140 N -3.29 4.05 -0.07 -0.03 1.43 -0.79 -4.41 118.68 115.56 1x92 s LEU 140 Ca 0.32 0.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.02 1x92 s LEU 140 Cb -0.10 -3.39 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1x92 s LEU 140 CO 0.24 -0.23 -0.22 -0.69 0.23 0.00 0.00 176.35 175.68 1x92 s VAL 141 N -2.18 1.84 -0.28 -1.59 1.01 -1.26 -1.00 120.40 116.93 1x92 s VAL 141 Ca 0.41 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1x92 s VAL 141 Cb -0.10 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1x92 s VAL 141 CO 0.33 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 175.27 1x92 s VAL 142 N 0.19 3.44 -0.25 2.92 1.01 0.10 -1.38 120.40 126.43 1x92 s VAL 142 Ca -0.12 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 1x92 s VAL 142 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1x92 s VAL 142 CO 0.06 0.08 0.10 0.00 0.00 0.00 0.00 175.10 175.34 1x92 s ALA 143 N 1.40 3.31 -0.38 5.51 0.00 -0.01 -0.87 121.76 130.73 1x92 s ALA 143 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1x92 s ALA 143 Cb -0.17 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1x92 s ALA 143 CO -0.00 -0.39 0.39 -0.51 0.00 0.00 0.00 175.76 175.24 1x92 s LEU 144 N 1.44 4.64 0.00 0.00 1.43 0.85 -0.89 118.68 126.15 1x92 s LEU 144 Ca 0.06 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1x92 s LEU 144 Cb -0.15 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1x92 s LEU 144 CO 0.05 -0.44 0.00 0.35 0.23 0.00 0.00 176.35 176.55 1x92 n THR 145 N 5.31 0.00 -3.16 5.49 -2.24 -0.20 -0.87 114.28 118.60 1x92 n THR 145 Ca -0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 1x92 n THR 145 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1x92 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x92 n GLY 146 N 2.21 1.98 7.00 3.38 0.00 -1.16 -1.37 105.19 117.23 1x92 n GLY 146 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1x92 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x92 n ARG 147 N -0.07 0.00 -0.69 1.61 1.74 -0.22 -0.96 116.66 118.07 1x92 n ARG 147 Ca -0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1x92 n ARG 147 Cb 0.08 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 31.89 1x92 n ARG 147 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x92 n ASP 148 N 3.74 5.02 0.00 0.55 3.85 -1.26 -4.77 116.55 123.67 1x92 n ASP 148 Ca 0.00 -2.64 0.00 0.00 -0.71 0.00 0.00 54.79 51.44 1x92 n ASP 148 Cb 0.00 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.16 1x92 n ASP 148 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1x92 n GLY 149 N 0.84 2.88 7.00 6.12 0.00 -0.14 -4.90 105.19 117.00 1x92 n GLY 149 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1x92 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x92 n GLY 150 N -0.55 0.96 0.22 -0.02 0.00 -1.20 -1.56 105.19 103.03 1x92 n GLY 150 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1x92 n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x92 h GLY 151 N 0.00 0.00 0.99 -0.02 0.00 -1.72 -2.90 103.07 99.41 1x92 h GLY 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x92 h GLY 151 CO 0.00 0.00 0.14 -0.33 0.00 0.00 0.00 176.54 176.35 1x92 h MET 152 N 0.00 0.29 -0.70 4.80 2.86 -0.78 -2.95 114.93 118.45 1x92 h MET 152 Ca -0.00 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1x92 h MET 152 Cb 0.55 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.08 1x92 h MET 152 CO 0.03 0.21 0.36 0.00 1.06 0.00 0.00 176.91 178.58 1x92 h ALA 153 N 1.06 0.96 0.00 6.32 0.00 -1.07 -1.74 119.26 124.78 1x92 h ALA 153 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x92 h ALA 153 Cb -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1x92 h ALA 153 CO -0.02 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 1x92 n SER 154 N -4.83 0.07 0.03 0.00 3.41 -1.12 -2.09 113.62 109.09 1x92 n SER 154 Ca 0.10 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 1x92 n SER 154 Cb 0.24 -0.53 0.04 0.00 -0.26 0.00 0.00 64.21 63.69 1x92 n SER 154 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x92 n LEU 155 N -1.58 0.62 -4.77 1.04 4.77 -0.66 -4.94 117.00 111.48 1x92 n LEU 155 Ca 0.03 0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.65 1x92 n LEU 155 Cb 0.18 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1x92 n LEU 155 CO 0.14 0.02 0.95 -0.76 -1.33 0.00 0.00 177.39 176.41 1x92 s LEU 156 N -4.02 4.21 0.45 2.23 1.43 -0.89 -5.03 118.68 117.06 1x92 s LEU 156 Ca 0.04 2.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.81 1x92 s LEU 156 Cb 0.14 -3.92 0.01 0.00 0.03 0.00 0.00 46.19 42.45 1x92 s LEU 156 CO 0.79 -0.84 0.62 -0.76 0.23 0.00 0.00 176.35 176.39 1x92 s LEU 157 N -2.45 3.58 0.41 1.79 1.43 -1.26 -4.99 118.68 117.19 1x92 s LEU 157 Ca 0.57 -0.25 0.15 0.00 -1.03 0.00 0.00 54.13 53.57 1x92 s LEU 157 Cb -0.37 -2.75 1.02 0.00 0.03 0.00 0.00 46.19 44.12 1x92 s LEU 157 CO 0.48 -0.84 1.88 -0.65 0.23 0.00 0.00 176.35 177.45 1x92 h PRO 158 N 0.49 0.45 -0.00 1.29 0.11 -2.02 -1.00 132.00 131.32 1x92 h PRO 158 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1x92 h PRO 158 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1x92 h PRO 158 CO 0.48 0.30 -0.20 0.39 -0.21 0.00 0.00 178.00 178.76 1x92 n GLU 159 N -4.51 0.36 -1.80 1.05 4.71 -1.26 -4.86 120.64 114.34 1x92 n GLU 159 Ca 0.17 -0.14 -0.30 0.00 -0.01 0.00 0.00 57.16 56.87 1x92 n GLU 159 Cb 0.58 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.56 1x92 n GLU 159 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x92 s ASP 160 N -2.73 5.47 -0.06 1.62 1.01 -0.38 -4.79 116.67 116.80 1x92 s ASP 160 Ca 0.20 1.26 0.02 0.00 0.71 0.00 0.00 52.55 54.75 1x92 s ASP 160 Cb 0.19 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 42.02 1x92 s ASP 160 CO 0.55 -1.34 -0.10 -0.69 0.21 0.00 0.00 175.17 173.80 1x92 s VAL 161 N -3.26 0.92 -0.11 -1.27 1.01 -0.48 -4.89 120.40 112.33 1x92 s VAL 161 Ca 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1x92 s VAL 161 Cb -0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1x92 s VAL 161 CO 0.53 0.31 -0.07 -0.70 0.00 0.00 0.00 175.10 175.17 1x92 s GLU 162 N 0.71 3.16 -0.49 2.72 2.12 -1.26 -0.83 118.70 124.82 1x92 s GLU 162 Ca -0.13 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.65 1x92 s GLU 162 Cb -0.15 -2.70 0.13 0.00 0.26 0.00 0.00 34.13 31.67 1x92 s GLU 162 CO 0.02 0.45 0.25 0.42 -0.54 0.00 0.00 175.26 175.86 1x92 s ILE 163 N -0.23 2.84 -0.40 -3.70 1.01 -0.06 -4.84 121.20 115.81 1x92 s ILE 163 Ca 0.03 -2.91 -0.16 0.00 0.00 0.00 0.00 60.65 57.61 1x92 s ILE 163 Cb -0.13 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1x92 s ILE 163 CO 0.03 -0.76 0.37 -0.60 0.00 0.00 0.00 174.94 173.97 1x92 s ARG 164 N 0.16 3.13 0.15 2.79 3.52 -1.26 -1.03 118.95 126.40 1x92 s ARG 164 Ca 0.15 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 54.63 1x92 s ARG 164 Cb -0.23 -3.94 -0.08 0.00 -1.56 0.00 0.00 34.95 29.13 1x92 s ARG 164 CO -0.03 -0.76 1.39 0.08 -0.81 0.00 0.00 175.30 175.18 1x92 s VAL 165 N 1.93 3.17 -1.26 7.11 1.01 -0.47 -4.89 120.40 127.01 1x92 s VAL 165 Ca 0.09 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 62.81 1x92 s VAL 165 Cb -0.18 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1x92 s VAL 165 CO 0.12 0.09 2.31 -0.81 0.00 0.00 0.00 175.10 176.80 1x92 n PRO 166 N 3.52 2.62 -3.58 2.72 -0.04 -1.26 -3.60 135.00 135.39 1x92 n PRO 166 Ca 0.10 -2.17 -0.11 0.00 -0.04 0.00 0.00 63.50 61.28 1x92 n PRO 166 Cb 0.42 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.86 1x92 n PRO 166 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x92 s SER 167 N 3.41 -0.32 0.00 3.54 0.15 -1.26 -4.94 113.70 114.28 1x92 s SER 167 Ca 0.53 -0.22 0.05 0.00 0.70 0.00 0.00 55.95 57.01 1x92 s SER 167 Cb 0.14 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1x92 s SER 167 CO -0.03 -0.88 0.63 0.29 1.20 0.00 0.00 173.24 174.45 1x92 n LYS 168 N -0.24 0.24 -3.53 5.44 5.02 -1.26 -1.05 118.16 122.78 1x92 n LYS 168 Ca -0.16 -0.74 -0.39 0.00 -2.02 0.00 0.00 58.31 54.99 1x92 n LYS 168 Cb 0.64 -1.07 -0.10 0.00 -0.02 0.00 0.00 35.03 34.48 1x92 n LYS 168 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1x92 s ILE 169 N -0.53 5.27 0.20 -0.18 -1.09 -1.26 -4.93 121.20 118.68 1x92 s ILE 169 Ca 0.06 0.10 -0.13 0.00 -2.23 0.00 0.00 60.65 58.45 1x92 s ILE 169 Cb 0.04 -3.64 0.15 0.00 -1.58 0.00 0.00 42.46 37.44 1x92 s ILE 169 CO 0.08 0.13 1.68 0.74 -1.23 0.00 0.00 174.94 176.33 1x92 h THR 170 N 5.43 0.57 -0.03 2.92 2.02 -1.93 0.21 112.91 122.10 1x92 h THR 170 Ca -0.33 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1x92 h THR 170 Cb 1.17 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1x92 h THR 170 CO 0.60 0.02 -0.31 0.00 0.37 0.00 0.00 175.52 176.21 1x92 h ALA 171 N 1.49 1.44 -0.14 6.16 0.00 -1.99 -0.69 119.26 125.52 1x92 h ALA 171 Ca 0.28 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1x92 h ALA 171 Cb 0.43 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1x92 h ALA 171 CO -0.45 0.41 -0.65 0.00 0.00 0.00 0.00 179.25 178.56 1x92 h ARG 172 N 0.05 0.69 -0.63 0.00 2.47 -1.51 -2.42 114.38 113.03 1x92 h ARG 172 Ca 0.00 -0.55 -0.02 0.00 -1.26 0.00 0.00 59.98 58.15 1x92 h ARG 172 Cb 0.57 0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 1x92 h ARG 172 CO 0.04 1.17 0.29 0.82 0.56 0.00 0.00 179.97 182.85 1x92 h ILE 173 N 0.37 1.21 -0.51 2.04 2.04 -0.04 -1.95 117.51 120.67 1x92 h ILE 173 Ca -0.04 -0.60 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1x92 h ILE 173 Cb 1.29 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1x92 h ILE 173 CO 0.14 0.25 -0.04 1.56 0.00 0.00 0.00 178.15 180.05 1x92 h GLN 174 N 0.89 0.89 -0.59 2.37 4.20 -1.09 0.39 115.11 122.16 1x92 h GLN 174 Ca 0.22 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1x92 h GLN 174 Cb 0.11 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1x92 h GLN 174 CO -0.03 0.91 0.15 0.93 -0.67 0.00 0.00 178.83 180.12 1x92 h GLU 175 N 0.82 0.95 -0.09 1.46 5.08 -0.89 -0.04 114.58 121.86 1x92 h GLU 175 Ca 0.15 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1x92 h GLU 175 Cb 0.54 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x92 h GLU 175 CO 0.03 0.87 -0.61 0.28 -1.00 0.00 0.00 179.01 178.58 1x92 h VAL 176 N 0.86 1.37 -0.56 3.13 2.07 -1.01 -2.69 116.25 119.43 1x92 h VAL 176 Ca 0.19 -1.97 -0.05 0.00 0.82 0.00 0.00 66.70 65.69 1x92 h VAL 176 Cb 0.34 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1x92 h VAL 176 CO 0.00 0.59 0.14 0.45 0.02 0.00 0.00 177.57 178.77 1x92 h HIS 177 N 0.25 0.88 -0.60 1.57 3.86 0.55 0.54 115.15 122.20 1x92 h HIS 177 Ca -0.01 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 1x92 h HIS 177 Cb 1.14 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 1x92 h HIS 177 CO 0.03 0.74 0.20 1.25 0.86 0.00 0.00 177.93 181.00 1x92 h LEU 178 N 0.82 0.87 -0.38 2.43 5.85 -0.83 -0.88 115.31 123.19 1x92 h LEU 178 Ca 0.18 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1x92 h LEU 178 Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1x92 h LEU 178 CO -0.00 0.84 -0.13 0.25 -0.34 0.00 0.00 178.44 179.06 1x92 h LEU 179 N 0.85 0.78 -0.95 2.25 5.85 -1.15 -1.73 115.31 121.20 1x92 h LEU 179 Ca 0.20 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1x92 h LEU 179 Cb 0.27 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1x92 h LEU 179 CO -0.01 0.98 0.60 0.00 -0.34 0.00 0.00 178.44 179.68 1x92 h ALA 180 N 0.82 1.35 -0.63 1.25 0.00 -0.51 0.10 119.26 121.64 1x92 h ALA 180 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1x92 h ALA 180 Cb 0.66 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1x92 h ALA 180 CO 0.05 0.33 0.15 0.82 0.00 0.00 0.00 179.25 180.59 1x92 h ILE 181 N 1.06 1.26 -0.22 0.00 2.04 -0.86 0.37 117.51 121.14 1x92 h ILE 181 Ca 0.43 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1x92 h ILE 181 Cb 0.25 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1x92 h ILE 181 CO -0.20 0.35 -0.07 0.45 0.00 0.00 0.00 178.15 178.68 1x92 h HIS 182 N 0.93 0.36 -0.23 1.37 3.86 -0.31 -0.62 115.15 120.51 1x92 h HIS 182 Ca 0.20 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1x92 h HIS 182 Cb 0.37 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.73 1x92 h HIS 182 CO 0.03 0.42 -0.29 0.00 0.86 0.00 0.00 177.93 178.95 1x92 h LEU 184 N 0.31 0.91 -0.86 0.00 3.38 -0.63 0.12 115.31 118.54 1x92 h LEU 184 Ca 0.03 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1x92 h LEU 184 Cb 0.86 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1x92 h LEU 184 CO 0.07 0.77 0.15 0.00 0.09 0.00 0.00 178.44 179.52 1x92 h ASP 186 N 0.95 0.46 -0.11 0.00 3.58 -0.80 -2.46 116.42 118.04 1x92 h ASP 186 Ca 0.20 -0.32 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 1x92 h ASP 186 Cb 0.34 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1x92 h ASP 186 CO 0.00 0.66 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.68 1x92 h LEU 187 N 0.24 0.58 -0.38 2.28 3.38 -0.42 -1.65 115.31 119.35 1x92 h LEU 187 Ca 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1x92 h LEU 187 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1x92 h LEU 187 CO 0.02 0.84 0.20 0.40 0.09 0.00 0.00 178.44 179.98 1x92 h ILE 188 N 0.50 1.15 -0.45 1.22 2.04 -0.64 -1.06 117.51 120.28 1x92 h ILE 188 Ca 0.07 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1x92 h ILE 188 Cb 0.74 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1x92 h ILE 188 CO 0.06 0.16 0.16 0.44 0.00 0.00 0.00 178.15 178.97 1x92 h ASP 189 N 0.48 0.64 0.03 1.72 3.45 -1.28 0.20 116.42 121.65 1x92 h ASP 189 Ca 0.13 -0.19 0.03 0.00 0.43 0.00 0.00 57.03 57.43 1x92 h ASP 189 Cb 0.08 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.64 1x92 h ASP 189 CO -0.02 0.65 -0.23 -0.09 -1.57 0.00 0.00 179.24 177.98 1x92 h ARG 190 N 0.58 -0.37 -0.29 3.56 2.43 -1.14 0.27 114.38 119.42 1x92 h ARG 190 Ca 0.15 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1x92 h ARG 190 Cb 0.23 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1x92 h ARG 190 CO -0.01 -0.25 -0.11 1.96 -1.51 0.00 0.00 179.97 180.06 1x92 h GLN 191 N -0.38 0.59 -0.27 0.20 4.20 -1.13 0.64 115.11 118.96 1x92 h GLN 191 Ca 0.05 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.34 1x92 h GLN 191 Cb 0.45 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1x92 h GLN 191 CO -0.19 0.81 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.15 1x92 h LEU 192 N 0.34 0.92 -1.90 1.46 3.38 -0.45 -3.35 115.31 115.71 1x92 h LEU 192 Ca 0.07 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1x92 h LEU 192 Cb 0.61 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1x92 h LEU 192 CO 0.04 1.29 0.00 0.49 0.09 0.00 0.00 178.44 180.34 1x92 n PHE 193 N -4.00 0.05 -4.33 1.13 3.01 0.95 -5.07 117.46 109.20 1x92 n PHE 193 Ca -0.04 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.21 1x92 n PHE 193 Cb 0.63 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 1x92 n PHE 193 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x92 n GLY 194 N 0.00 -1.04 3.46 1.37 0.00 0.22 -4.99 105.19 104.22 1x92 n GLY 194 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1x92 n GLY 194 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06