#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ui6 n ALA 7 N 0.00 -0.42 -0.32 5.13 0.00 -1.26 -0.88 120.51 122.77 1ui6 n ALA 7 Ca 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 53.44 53.99 1ui6 n ALA 7 Cb 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 19.45 19.56 1ui6 n ALA 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ui6 h GLU 8 N 0.00 1.19 -0.73 0.00 4.81 -2.05 0.19 114.58 117.99 1ui6 h GLU 8 Ca 0.10 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1ui6 h GLU 8 Cb 0.27 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1ui6 h GLU 8 CO -0.61 0.79 0.31 1.96 -0.73 0.00 0.00 179.01 180.72 1ui6 h GLN 9 N 1.23 1.07 -0.27 1.92 4.20 -1.75 -0.46 115.11 121.05 1ui6 h GLN 9 Ca 0.33 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1ui6 h GLN 9 Cb -0.13 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 1ui6 h GLN 9 CO -0.07 0.87 0.13 1.15 -0.67 0.00 0.00 178.83 180.23 1ui6 h THR 10 N 1.03 1.15 -0.31 -0.54 2.02 -0.30 -1.03 112.91 114.94 1ui6 h THR 10 Ca 0.24 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1ui6 h THR 10 Cb 0.18 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 1ui6 h THR 10 CO -0.02 0.15 -0.13 -0.09 0.37 0.00 0.00 175.52 175.81 1ui6 h ARG 11 N 0.30 -0.07 -0.60 6.66 2.43 -0.23 -1.09 114.38 121.79 1ui6 h ARG 11 Ca 0.09 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1ui6 h ARG 11 Cb 0.13 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1ui6 h ARG 11 CO -0.01 -0.05 0.22 0.00 -1.51 0.00 0.00 179.97 178.62 1ui6 h ALA 12 N 1.19 1.26 -0.08 2.80 0.00 -0.90 -0.15 119.26 123.37 1ui6 h ALA 12 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1ui6 h ALA 12 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ui6 h ALA 12 CO -0.35 0.54 -0.56 1.15 0.00 0.00 0.00 179.25 180.02 1ui6 h THR 13 N 0.87 1.37 -0.25 0.00 2.02 -0.76 0.13 112.91 116.30 1ui6 h THR 13 Ca 0.20 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 1ui6 h THR 13 Cb 0.20 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 1ui6 h THR 13 CO -0.02 0.56 -0.09 0.40 0.37 0.00 0.00 175.52 176.74 1ui6 h ILE 14 N 0.18 1.29 -0.39 3.11 2.04 -0.26 -0.56 117.51 122.93 1ui6 h ILE 14 Ca -0.00 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1ui6 h ILE 14 Cb 1.04 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 1ui6 h ILE 14 CO 0.09 0.35 0.18 0.40 0.00 0.00 0.00 178.15 179.17 1ui6 h ILE 15 N 0.24 0.94 -0.83 -0.67 2.04 -0.46 0.21 117.51 118.98 1ui6 h ILE 15 Ca 0.06 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1ui6 h ILE 15 Cb 0.58 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1ui6 h ILE 15 CO 0.03 0.07 0.39 1.23 0.00 0.00 0.00 178.15 179.87 1ui6 h GLY 16 N 0.36 1.29 0.76 5.37 0.00 -0.69 0.72 103.07 110.89 1ui6 h GLY 16 Ca 0.17 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1ui6 h GLY 16 CO -0.14 0.62 -0.08 0.00 0.00 0.00 0.00 176.54 176.94 1ui6 h ALA 17 N 1.21 0.23 -0.99 3.60 0.00 -0.37 -0.53 119.26 122.42 1ui6 h ALA 17 Ca 0.28 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ui6 h ALA 17 Cb 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1ui6 h ALA 17 CO -0.03 0.04 0.65 0.00 0.00 0.00 0.00 179.25 179.91 1ui6 h ALA 18 N 0.68 1.27 -0.37 0.00 0.00 -0.27 -2.23 119.26 118.34 1ui6 h ALA 18 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ui6 h ALA 18 Cb 0.55 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ui6 h ALA 18 CO 0.02 0.59 0.16 0.00 0.00 0.00 0.00 179.25 180.03 1ui6 h ALA 19 N 1.38 0.48 -0.37 0.00 0.00 -0.55 0.17 119.26 120.37 1ui6 h ALA 19 Ca 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1ui6 h ALA 19 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ui6 h ALA 19 CO -0.10 0.06 0.05 0.22 0.00 0.00 0.00 179.25 179.48 1ui6 h ASP 20 N 0.45 0.51 0.15 0.00 3.58 -0.86 -0.74 116.42 119.52 1ui6 h ASP 20 Ca 0.13 -0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.29 1ui6 h ASP 20 Cb 0.15 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 41.09 1ui6 h ASP 20 CO -0.01 0.54 -0.89 -0.07 -2.88 0.00 0.00 179.24 175.93 1ui6 h LEU 21 N 0.53 0.52 -1.84 2.28 3.38 -0.92 -2.27 115.31 116.98 1ui6 h LEU 21 Ca 0.12 -0.95 -0.00 0.00 0.09 0.00 0.00 57.88 57.14 1ui6 h LEU 21 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ui6 h LEU 21 CO 0.00 1.43 0.05 -0.26 0.09 0.00 0.00 178.44 179.75 1ui6 h PHE 22 N -0.31 0.14 -0.04 1.13 0.04 -0.57 0.17 116.94 117.51 1ui6 h PHE 22 Ca -0.15 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.47 1ui6 h PHE 22 Cb 1.70 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 39.81 1ui6 h PHE 22 CO 0.19 0.11 -0.56 0.22 -0.60 0.00 0.00 178.31 177.67 1ui6 h ASP 23 N 0.15 0.56 0.67 2.17 3.58 -1.07 -1.67 116.42 120.81 1ui6 h ASP 23 Ca 0.04 -0.71 -0.26 0.00 0.42 0.00 0.00 57.03 56.51 1ui6 h ASP 23 Cb 0.02 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 40.87 1ui6 h ASP 23 CO -0.01 1.19 -1.43 0.03 -2.88 0.00 0.00 179.24 176.14 1ui6 h ARG 24 N -0.03 0.03 0.00 0.28 3.08 -1.21 -3.39 114.38 113.14 1ui6 h ARG 24 Ca -0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1ui6 h ARG 24 Cb 1.24 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1ui6 h ARG 24 CO 0.11 0.76 0.00 0.54 -1.07 0.00 0.00 179.97 180.31 1ui6 n ARG 25 N -3.21 3.08 0.00 0.04 1.74 0.57 -5.09 116.66 113.79 1ui6 n ARG 25 Ca -0.11 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1ui6 n ARG 25 Cb 1.01 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 1ui6 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ui6 n GLY 26 N 0.50 0.51 0.18 -0.13 0.00 -0.63 -4.61 105.19 101.02 1ui6 n GLY 26 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 1ui6 n GLY 26 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ui6 h TYR 27 N 0.00 -0.35 -0.44 1.61 5.03 -1.87 -3.17 116.97 117.78 1ui6 h TYR 27 Ca 0.00 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1ui6 h TYR 27 Cb 0.00 0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1ui6 h TYR 27 CO 0.00 -0.05 0.27 0.93 -1.32 0.00 0.00 178.16 177.99 1ui6 h GLU 28 N -0.64 0.60 0.00 1.82 4.39 -1.96 -2.67 114.58 116.12 1ui6 h GLU 28 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1ui6 h GLU 28 Cb 0.45 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1ui6 h GLU 28 CO 0.06 0.44 0.00 -1.13 -1.16 0.00 0.00 179.01 177.23 1ui6 n SER 29 N -4.74 0.55 -4.73 1.42 3.41 -1.26 -4.78 113.62 103.51 1ui6 n SER 29 Ca 0.01 0.59 -0.40 0.00 -0.26 0.00 0.00 58.87 58.81 1ui6 n SER 29 Cb 0.05 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.24 1ui6 n SER 29 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ui6 s THR 30 N -3.16 4.85 0.11 6.66 2.01 -1.01 -5.05 115.64 120.06 1ui6 s THR 30 Ca 0.08 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1ui6 s THR 30 Cb 0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1ui6 s THR 30 CO 0.47 0.28 0.13 0.28 -0.69 0.00 0.00 174.62 175.08 1ui6 s THR 31 N 0.47 4.66 0.39 -0.82 -1.32 -1.26 -4.99 115.64 112.76 1ui6 s THR 31 Ca 0.42 -0.84 0.08 0.00 -1.21 0.00 0.00 61.69 60.14 1ui6 s THR 31 Cb -0.20 -3.31 0.30 0.00 -1.51 0.00 0.00 72.50 67.78 1ui6 s THR 31 CO 0.23 0.02 1.97 -0.07 -2.21 0.00 0.00 174.62 174.57 1ui6 h LEU 32 N 2.86 0.56 -0.84 9.08 3.38 -1.99 -1.25 115.31 127.11 1ui6 h LEU 32 Ca -0.47 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1ui6 h LEU 32 Cb 1.18 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1ui6 h LEU 32 CO 0.66 0.36 0.13 0.28 0.09 0.00 0.00 178.44 179.96 1ui6 h SER 33 N 0.64 0.94 0.14 -0.43 0.02 -1.99 0.13 113.55 113.00 1ui6 h SER 33 Ca 0.29 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1ui6 h SER 33 Cb 0.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1ui6 h SER 33 CO -0.09 0.92 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.13 1ui6 h GLU 34 N 0.94 -0.18 -0.62 3.45 5.08 -1.81 -2.22 114.58 119.22 1ui6 h GLU 34 Ca 0.20 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1ui6 h GLU 34 Cb 0.37 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 1ui6 h GLU 34 CO 0.00 -0.09 0.28 0.82 -1.00 0.00 0.00 179.01 179.03 1ui6 h ILE 35 N -0.22 0.84 0.08 3.13 2.04 -0.86 -0.98 117.51 121.54 1ui6 h ILE 35 Ca -0.02 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1ui6 h ILE 35 Cb 0.17 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1ui6 h ILE 35 CO 0.03 0.09 -0.18 0.58 0.00 0.00 0.00 178.15 178.67 1ui6 h VAL 36 N 0.50 0.59 -0.07 1.67 2.07 -0.80 -1.15 116.25 119.06 1ui6 h VAL 36 Ca 0.30 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 1ui6 h VAL 36 Cb 0.32 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1ui6 h VAL 36 CO -0.26 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.35 1ui6 h ALA 37 N 0.51 0.09 -0.99 1.67 0.00 -1.15 -2.45 119.26 116.94 1ui6 h ALA 37 Ca 0.03 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1ui6 h ALA 37 Cb 0.36 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1ui6 h ALA 37 CO -0.11 -0.31 0.60 1.25 0.00 0.00 0.00 179.25 180.68 1ui6 h HIS 38 N -0.08 1.06 0.00 0.00 6.17 -1.08 -1.94 115.15 119.28 1ui6 h HIS 38 Ca 0.02 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1ui6 h HIS 38 Cb 0.20 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.81 1ui6 h HIS 38 CO -0.01 0.27 0.00 0.00 0.71 0.00 0.00 177.93 178.90 1ui6 n ALA 39 N -2.34 2.25 -1.85 5.26 0.00 -0.44 -4.96 120.51 118.43 1ui6 n ALA 39 Ca 0.22 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 1ui6 n ALA 39 Cb 0.52 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1ui6 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ui6 n GLY 40 N 1.28 0.43 2.91 0.00 0.00 -0.73 -4.88 105.19 104.19 1ui6 n GLY 40 Ca 0.06 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1ui6 n GLY 40 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ui6 n VAL 41 N -3.50 0.00 -3.26 1.61 0.24 -1.06 -5.05 118.33 107.31 1ui6 n VAL 41 Ca -0.12 -1.77 -0.28 0.00 -2.04 0.00 0.00 64.34 60.14 1ui6 n VAL 41 Cb 0.49 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.90 1ui6 n VAL 41 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1ui6 s THR 42 N -2.24 5.00 0.26 3.34 -4.23 -1.26 -4.69 115.64 111.83 1ui6 s THR 42 Ca 0.15 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 1ui6 s THR 42 Cb -0.01 -3.75 0.24 0.00 1.34 0.00 0.00 72.50 70.32 1ui6 s THR 42 CO 0.09 -0.38 1.75 0.50 -0.54 0.00 0.00 174.62 176.04 1ui6 h LYS 43 N 1.50 0.57 -0.58 3.99 3.64 -1.98 -1.42 116.57 122.28 1ui6 h LYS 43 Ca -0.48 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1ui6 h LYS 43 Cb 1.19 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1ui6 h LYS 43 CO 0.65 0.37 0.27 0.78 -2.27 0.00 0.00 179.45 179.25 1ui6 h GLY 44 N 0.58 0.83 1.06 5.01 0.00 -1.98 0.38 103.07 108.95 1ui6 h GLY 44 Ca 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 1ui6 h GLY 44 CO -0.38 0.06 0.46 0.00 0.00 0.00 0.00 176.54 176.68 1ui6 h ALA 45 N 1.35 1.17 -0.38 3.60 0.00 -1.68 0.47 119.26 123.80 1ui6 h ALA 45 Ca 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ui6 h ALA 45 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ui6 h ALA 45 CO -0.23 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 180.85 1ui6 h LEU 46 N 1.22 0.71 -0.82 0.00 6.46 -0.26 -2.48 115.31 120.14 1ui6 h LEU 46 Ca 0.30 -0.35 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1ui6 h LEU 46 Cb 0.05 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1ui6 h LEU 46 CO -0.05 0.90 0.00 1.88 -0.62 0.00 0.00 178.44 180.55 1ui6 h TYR 47 N 0.52 0.00 -0.44 1.25 -1.99 -0.50 -1.15 116.97 114.65 1ui6 h TYR 47 Ca 0.10 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.71 1ui6 h TYR 47 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1ui6 h TYR 47 CO 0.05 0.00 -0.20 0.35 -0.00 0.00 0.00 178.16 178.36 1ui6 h PHE 48 N 0.00 1.00 0.00 4.88 3.04 -0.45 -3.32 116.94 122.10 1ui6 h PHE 48 Ca 0.00 -0.23 -0.04 0.00 3.98 0.00 0.00 57.97 61.68 1ui6 h PHE 48 Cb 0.52 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1ui6 h PHE 48 CO 0.00 1.00 -1.14 0.72 -2.02 0.00 0.00 178.31 176.88 1ui6 n HIS 49 N -4.12 0.94 -3.66 0.41 8.25 -0.96 -4.90 115.22 111.18 1ui6 n HIS 49 Ca 0.00 0.28 -0.09 0.00 -0.26 0.00 0.00 57.72 57.65 1ui6 n HIS 49 Cb 0.44 -0.97 -0.10 0.00 1.12 0.00 0.00 29.99 30.47 1ui6 n HIS 49 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ui6 s PHE 50 N -3.27 -0.73 0.09 4.41 0.40 -0.48 -5.03 117.98 113.37 1ui6 s PHE 50 Ca -0.01 1.43 0.10 0.00 -0.60 0.00 0.00 56.93 57.85 1ui6 s PHE 50 Cb 0.09 0.25 0.01 0.00 0.51 0.00 0.00 43.02 43.88 1ui6 s PHE 50 CO 0.80 -0.46 1.41 0.00 0.70 0.00 0.00 175.22 177.67 1ui6 h ALA 51 N 8.17 0.57 -2.64 5.36 0.00 -1.83 -3.37 119.26 125.53 1ui6 h ALA 51 Ca -0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 53.93 1ui6 h ALA 51 Cb 1.11 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1ui6 h ALA 51 CO 0.13 0.98 -0.33 0.00 0.00 0.00 0.00 179.25 180.03 1ui6 s ALA 52 N -2.98 0.04 0.44 0.00 0.00 -1.26 -5.03 121.76 112.97 1ui6 s ALA 52 Ca 0.01 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.16 1ui6 s ALA 52 Cb 0.10 0.87 0.99 0.00 0.00 0.00 0.00 23.12 25.08 1ui6 s ALA 52 CO 0.78 -0.65 2.06 -0.22 0.00 0.00 0.00 175.76 177.74 1ui6 h LYS 53 N 2.55 0.39 -0.04 0.00 3.64 -2.01 -1.55 116.57 119.54 1ui6 h LYS 53 Ca -0.32 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1ui6 h LYS 53 Cb 1.23 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1ui6 h LYS 53 CO 0.48 0.26 -0.43 0.93 -2.27 0.00 0.00 179.45 178.42 1ui6 h GLU 54 N 0.40 0.09 0.00 1.90 5.08 -2.00 -2.12 114.58 117.94 1ui6 h GLU 54 Ca 0.16 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ui6 h GLU 54 Cb 0.12 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ui6 h GLU 54 CO -0.04 0.51 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.80 1ui6 h ASP 55 N 0.08 0.00 -0.44 1.42 5.19 -1.69 -0.39 116.42 120.58 1ui6 h ASP 55 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 1ui6 h ASP 55 Cb 0.80 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 1ui6 h ASP 55 CO 0.06 0.24 -0.23 -0.07 -3.12 0.00 0.00 179.24 176.12 1ui6 h LEU 56 N 0.00 0.97 -0.20 1.55 3.38 -1.35 -2.31 115.31 117.35 1ui6 h LEU 56 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1ui6 h LEU 56 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ui6 h LEU 56 CO 0.03 1.17 0.10 0.00 0.09 0.00 0.00 178.44 179.83 1ui6 h ALA 57 N 0.84 0.26 -0.29 1.53 0.00 -1.32 -1.34 119.26 118.93 1ui6 h ALA 57 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ui6 h ALA 57 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ui6 h ALA 57 CO 0.07 -0.20 0.19 1.25 0.00 0.00 0.00 179.25 180.56 1ui6 h HIS 58 N 0.21 0.37 -0.64 0.00 -0.00 -1.07 -0.38 115.15 113.64 1ui6 h HIS 58 Ca 0.07 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1ui6 h HIS 58 Cb 0.09 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 1ui6 h HIS 58 CO -0.03 0.24 0.23 0.00 -0.00 0.00 0.00 177.93 178.37 1ui6 h ALA 59 N 1.10 1.21 0.18 5.26 0.00 -1.25 0.39 119.26 126.15 1ui6 h ALA 59 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ui6 h ALA 59 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ui6 h ALA 59 CO -0.02 0.57 -0.09 0.82 0.00 0.00 0.00 179.25 180.53 1ui6 h ILE 60 N 0.92 0.87 -0.71 0.00 2.04 -0.56 -1.14 117.51 118.93 1ui6 h ILE 60 Ca 0.21 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.90 1ui6 h ILE 60 Cb 0.22 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1ui6 h ILE 60 CO -0.01 0.05 0.47 -0.07 0.00 0.00 0.00 178.15 178.59 1ui6 h LEU 61 N -0.35 0.66 -0.60 1.44 3.38 -0.73 0.88 115.31 119.99 1ui6 h LEU 61 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ui6 h LEU 61 Cb 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ui6 h LEU 61 CO 0.04 0.43 0.14 -0.08 0.09 0.00 0.00 178.44 179.06 1ui6 h GLU 62 N 0.76 0.96 -0.49 1.13 4.81 0.12 -1.11 114.58 120.76 1ui6 h GLU 62 Ca 0.31 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1ui6 h GLU 62 Cb 0.23 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1ui6 h GLU 62 CO -0.10 0.89 0.06 0.82 -0.73 0.00 0.00 179.01 179.95 1ui6 h ILE 63 N 0.87 1.25 0.36 2.32 2.04 0.28 -2.18 117.51 122.46 1ui6 h ILE 63 Ca 0.19 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1ui6 h ILE 63 Cb 0.37 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1ui6 h ILE 63 CO 0.00 0.34 -0.36 -0.61 0.00 0.00 0.00 178.15 177.53 1ui6 h GLN 64 N 0.69 -0.72 -0.54 2.37 4.15 -0.52 -0.99 115.11 119.56 1ui6 h GLN 64 Ca 0.15 0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1ui6 h GLN 64 Cb 0.43 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1ui6 h GLN 64 CO 0.01 -0.48 0.26 1.03 -1.93 0.00 0.00 178.83 177.72 1ui6 h SER 65 N -0.75 0.67 0.76 -0.69 0.87 -1.19 -1.80 113.55 111.43 1ui6 h SER 65 Ca -0.03 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.31 1ui6 h SER 65 Cb 0.67 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1ui6 h SER 65 CO -0.06 0.57 -0.77 -0.09 -0.53 0.00 0.00 176.83 175.95 1ui6 h ARG 66 N 0.75 0.00 -0.09 2.24 2.43 -1.09 -1.13 114.38 117.50 1ui6 h ARG 66 Ca 0.19 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1ui6 h ARG 66 Cb 0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ui6 h ARG 66 CO -0.03 0.77 -0.09 1.15 -1.51 0.00 0.00 179.97 180.27 1ui6 h THR 67 N 0.00 1.36 -0.07 0.20 2.02 -0.89 -2.70 112.91 112.83 1ui6 h THR 67 Ca -0.01 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 65.99 1ui6 h THR 67 Cb 1.36 1.96 -0.05 0.00 -1.74 0.00 0.00 68.15 69.69 1ui6 h THR 67 CO 0.10 0.35 -0.23 -1.28 0.37 0.00 0.00 175.52 174.83 1ui6 h SER 68 N -0.18 -0.69 0.16 4.18 0.87 -1.24 -0.85 113.55 115.80 1ui6 h SER 68 Ca 0.02 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1ui6 h SER 68 Cb 0.59 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1ui6 h SER 68 CO 0.02 -0.28 -0.19 0.03 -0.53 0.00 0.00 176.83 175.88 1ui6 h ARG 69 N -0.32 0.05 -0.12 2.24 3.08 -1.28 -2.33 114.38 115.71 1ui6 h ARG 69 Ca 0.08 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 1ui6 h ARG 69 Cb 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1ui6 h ARG 69 CO -0.26 0.24 -0.41 -0.09 -1.07 0.00 0.00 179.97 178.39 1ui6 h ARG 70 N 0.05 0.48 -0.90 0.04 2.43 -1.02 -1.55 114.38 113.91 1ui6 h ARG 70 Ca 0.01 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1ui6 h ARG 70 Cb 0.36 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1ui6 h ARG 70 CO 0.03 0.99 0.51 1.25 -1.51 0.00 0.00 179.97 181.23 1ui6 h LEU 71 N 0.08 1.10 -1.04 3.80 5.85 -1.01 0.45 115.31 124.54 1ui6 h LEU 71 Ca -0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ui6 h LEU 71 Cb 1.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1ui6 h LEU 71 CO 0.09 0.87 0.45 0.00 -0.34 0.00 0.00 178.44 179.51 1ui6 h ALA 72 N 1.28 1.27 0.01 1.25 0.00 -1.40 -2.01 119.26 119.66 1ui6 h ALA 72 Ca 0.32 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1ui6 h ALA 72 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ui6 h ALA 72 CO -0.05 0.60 -0.90 -0.22 0.00 0.00 0.00 179.25 178.67 1ui6 h LYS 73 N 1.13 0.08 -0.14 0.00 3.64 0.00 -2.66 116.57 118.63 1ui6 h LYS 73 Ca 0.29 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1ui6 h LYS 73 Cb 0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ui6 h LYS 73 CO -0.05 0.93 -0.31 -0.44 -2.27 0.00 0.00 179.45 177.31 1ui6 h ASP 74 N 0.04 0.26 1.09 4.20 5.19 0.21 -3.16 116.42 124.26 1ui6 h ASP 74 Ca -0.03 -0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.11 1ui6 h ASP 74 Cb 1.57 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.98 1ui6 h ASP 74 CO 0.13 0.57 -0.94 -0.07 -3.12 0.00 0.00 179.24 175.81 1ui6 h LEU 75 N 0.23 0.00 -1.97 1.55 3.38 -1.31 -3.31 115.31 113.89 1ui6 h LEU 75 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ui6 h LEU 75 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ui6 h LEU 75 CO 0.05 0.79 -0.10 -0.78 0.09 0.00 0.00 178.44 178.49 1ui6 h ASP 76 N 0.00 0.00 -1.10 -0.43 1.82 -1.43 -3.14 116.42 112.14 1ui6 h ASP 76 Ca -0.05 0.00 -0.65 0.00 -0.39 0.00 0.00 57.03 55.94 1ui6 h ASP 76 Cb 1.64 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 41.31 1ui6 h ASP 76 CO 0.09 0.10 0.26 0.61 -1.61 0.00 0.00 179.24 178.69 1ui6 n GLY 77 N -0.68 6.00 0.16 -0.78 0.00 -1.25 -4.43 105.19 104.22 1ui6 n GLY 77 Ca -0.02 -2.48 0.05 0.00 0.00 0.00 0.00 46.02 43.57 1ui6 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ui6 n ARG 78 N -0.77 1.12 -1.80 1.61 1.74 -1.19 -5.00 116.66 112.38 1ui6 n ARG 78 Ca 0.54 -1.81 -0.19 0.00 -0.77 0.00 0.00 57.85 55.62 1ui6 n ARG 78 Cb 0.70 -1.07 -0.06 0.00 -1.02 0.00 0.00 32.46 31.00 1ui6 n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ui6 n GLY 79 N -0.78 1.17 3.83 -0.13 0.00 -1.26 -4.98 105.19 103.04 1ui6 n GLY 79 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1ui6 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ui6 s TYR 80 N -2.72 3.10 0.54 1.61 4.12 -1.26 -5.05 117.35 117.69 1ui6 s TYR 80 Ca 0.00 1.21 -0.16 0.00 0.02 0.00 0.00 57.07 58.15 1ui6 s TYR 80 Cb 0.00 -3.01 -0.07 0.00 -1.52 0.00 0.00 41.96 37.37 1ui6 s TYR 80 CO 0.00 -1.39 1.00 -1.54 0.02 0.00 0.00 175.55 173.64 1ui6 s SER 81 N -4.00 6.43 0.35 2.29 1.04 -1.26 -4.85 113.70 113.70 1ui6 s SER 81 Ca 0.59 1.58 0.04 0.00 0.48 0.00 0.00 55.95 58.65 1ui6 s SER 81 Cb -0.13 -2.51 0.69 0.00 0.10 0.00 0.00 66.02 64.18 1ui6 s SER 81 CO 0.54 -0.72 1.97 0.28 0.98 0.00 0.00 173.24 176.29 1ui6 h SER 82 N 0.65 0.70 0.09 7.02 0.02 -1.91 -1.19 113.55 118.94 1ui6 h SER 82 Ca -0.46 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 1ui6 h SER 82 Cb 1.19 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1ui6 h SER 82 CO 0.61 0.47 -0.47 0.25 -1.14 0.00 0.00 176.83 176.55 1ui6 h LEU 83 N 0.81 0.48 -0.41 5.07 5.85 -1.93 -0.82 115.31 124.37 1ui6 h LEU 83 Ca 0.29 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1ui6 h LEU 83 Cb 0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ui6 h LEU 83 CO -0.09 0.88 0.04 -0.08 -0.34 0.00 0.00 178.44 178.85 1ui6 h GLU 84 N 0.36 0.70 0.05 1.25 4.81 -1.69 -0.99 114.58 119.07 1ui6 h GLU 84 Ca 0.02 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1ui6 h GLU 84 Cb 0.97 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1ui6 h GLU 84 CO 0.08 0.76 -0.02 0.00 -0.73 0.00 0.00 179.01 179.10 1ui6 h ALA 85 N 0.91 -0.06 0.09 2.92 0.00 -1.08 0.47 119.26 122.50 1ui6 h ALA 85 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ui6 h ALA 85 Cb 0.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ui6 h ALA 85 CO 0.01 -0.53 -0.12 1.25 0.00 0.00 0.00 179.25 179.87 1ui6 h LEU 86 N -0.09 -0.33 -0.73 0.00 5.85 -1.05 0.28 115.31 119.24 1ui6 h LEU 86 Ca -0.01 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1ui6 h LEU 86 Cb 0.07 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1ui6 h LEU 86 CO 0.01 -0.18 0.41 -0.03 -0.34 0.00 0.00 178.44 178.31 1ui6 h MET 87 N -0.25 0.70 -0.19 1.25 4.05 -0.99 -0.59 114.93 118.91 1ui6 h MET 87 Ca 0.02 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 1ui6 h MET 87 Cb 0.26 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1ui6 h MET 87 CO -0.06 0.46 -0.19 0.00 0.23 0.00 0.00 176.91 177.35 1ui6 h ARG 88 N 0.72 0.33 -0.32 0.39 3.08 0.93 -2.60 114.38 116.91 1ui6 h ARG 88 Ca 0.34 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 1ui6 h ARG 88 Cb 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ui6 h ARG 88 CO -0.22 0.52 -0.06 1.25 -1.07 0.00 0.00 179.97 180.39 1ui6 h LEU 89 N 0.31 0.60 -0.38 3.04 5.85 0.85 -0.87 115.31 124.71 1ui6 h LEU 89 Ca 0.05 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1ui6 h LEU 89 Cb 0.51 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1ui6 h LEU 89 CO 0.03 0.81 0.18 0.71 -0.34 0.00 0.00 178.44 179.84 1ui6 h THR 90 N 0.38 1.17 -0.03 1.05 1.35 -0.93 -0.06 112.91 115.85 1ui6 h THR 90 Ca 0.08 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 65.40 1ui6 h THR 90 Cb 0.54 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1ui6 h THR 90 CO 0.03 0.18 -0.27 -0.26 -0.25 0.00 0.00 175.52 174.95 1ui6 h PHE 91 N 0.47 0.06 -0.06 4.73 0.04 -1.29 0.14 116.94 121.03 1ui6 h PHE 91 Ca 0.13 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1ui6 h PHE 91 Cb 0.12 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1ui6 h PHE 91 CO -0.01 0.32 0.01 0.78 -0.60 0.00 0.00 178.31 178.81 1ui6 h GLY 92 N 0.86 0.11 0.90 -1.45 0.00 -0.39 -0.71 103.07 102.39 1ui6 h GLY 92 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1ui6 h GLY 92 CO 0.04 0.06 0.27 -0.33 0.00 0.00 0.00 176.54 176.58 1ui6 h MET 93 N -0.13 0.53 -0.33 4.80 2.86 -0.68 0.28 114.93 122.26 1ui6 h MET 93 Ca 0.02 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1ui6 h MET 93 Cb 0.26 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1ui6 h MET 93 CO 0.00 0.35 0.08 0.00 1.06 0.00 0.00 176.91 178.40 1ui6 h ALA 94 N 1.20 0.36 -0.96 6.32 0.00 -0.75 -0.97 119.26 124.45 1ui6 h ALA 94 Ca 0.18 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ui6 h ALA 94 Cb 0.01 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1ui6 h ALA 94 CO -0.08 -0.33 0.62 -0.09 0.00 0.00 0.00 179.25 179.37 1ui6 h ARG 95 N 0.20 1.28 -0.79 0.00 2.43 -0.19 -2.59 114.38 114.72 1ui6 h ARG 95 Ca 0.16 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ui6 h ARG 95 Cb 0.16 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1ui6 h ARG 95 CO -0.20 0.86 0.48 -0.07 -1.51 0.00 0.00 179.97 179.53 1ui6 h LEU 96 N 1.31 0.94 -1.56 3.80 4.07 0.86 -2.05 115.31 122.67 1ui6 h LEU 96 Ca 0.35 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 1ui6 h LEU 96 Cb -0.12 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.37 1ui6 h LEU 96 CO -0.07 0.72 0.01 0.00 -1.08 0.00 0.00 178.44 178.01 1ui6 n VAL 98 N -4.38 0.02 -0.06 0.00 0.31 -0.79 -4.52 118.33 108.91 1ui6 n VAL 98 Ca -0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.28 1ui6 n VAL 98 Cb 0.18 -0.31 -0.01 0.00 -0.91 0.00 0.00 33.84 32.79 1ui6 n VAL 98 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ui6 h GLN 99 N 0.00 0.00 -5.75 5.55 4.20 -0.97 -3.49 115.11 114.65 1ui6 h GLN 99 Ca 0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 1ui6 h GLN 99 Cb 0.51 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.18 1ui6 h GLN 99 CO 0.00 0.00 -0.56 0.20 -0.67 0.00 0.00 178.83 177.80 1ui6 s GLY 100 N -4.04 2.44 0.01 3.46 0.00 -1.21 -5.06 107.32 102.92 1ui6 s GLY 100 Ca -0.13 -2.23 0.27 0.00 0.00 0.00 0.00 44.72 42.63 1ui6 s GLY 100 CO 0.19 -2.03 1.64 -1.55 0.00 0.00 0.00 173.10 171.34 1ui6 n PRO 101 N -1.06 0.01 -0.19 2.90 -0.04 -1.26 -4.41 135.00 130.95 1ui6 n PRO 101 Ca -0.04 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.37 1ui6 n PRO 101 Cb 0.66 -1.51 0.04 0.00 -0.04 0.00 0.00 33.50 32.65 1ui6 n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ui6 h VAL 102 N 0.00 1.11 -0.36 0.52 2.07 -1.91 0.21 116.25 117.89 1ui6 h VAL 102 Ca 0.00 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1ui6 h VAL 102 Cb 0.51 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ui6 h VAL 102 CO 0.00 0.13 -0.18 0.25 0.02 0.00 0.00 177.57 177.79 1ui6 h LEU 103 N 0.72 0.78 -0.82 2.57 6.46 -1.90 0.54 115.31 123.65 1ui6 h LEU 103 Ca 0.21 -0.41 0.12 0.00 -0.12 0.00 0.00 57.88 57.68 1ui6 h LEU 103 Cb -0.04 -0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 39.59 1ui6 h LEU 103 CO -0.07 1.01 0.43 0.03 -0.62 0.00 0.00 178.44 179.23 1ui6 h ARG 104 N 0.54 0.66 -0.21 1.25 3.08 -1.70 -1.70 114.38 116.30 1ui6 h ARG 104 Ca 0.08 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.89 1ui6 h ARG 104 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1ui6 h ARG 104 CO 0.05 0.44 -0.65 0.00 -1.07 0.00 0.00 179.97 178.74 1ui6 h ALA 105 N 1.50 0.45 -0.10 0.04 0.00 -0.08 -1.54 119.26 119.53 1ui6 h ALA 105 Ca 0.42 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ui6 h ALA 105 Cb 0.49 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1ui6 h ALA 105 CO -0.30 0.69 -0.37 0.78 0.00 0.00 0.00 179.25 180.05 1ui6 h GLY 106 N 0.74 -0.58 0.67 0.00 0.00 -0.29 0.76 103.07 104.37 1ui6 h GLY 106 Ca -0.01 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1ui6 h GLY 106 CO 0.13 -0.23 -0.39 -2.00 0.00 0.00 0.00 176.54 174.06 1ui6 h LEU 107 N -0.46 -1.04 -1.09 3.11 6.46 -1.27 0.84 115.31 121.87 1ui6 h LEU 107 Ca 0.08 0.08 0.23 0.00 -0.12 0.00 0.00 57.88 58.15 1ui6 h LEU 107 Cb 0.59 0.34 -0.11 0.00 -0.73 0.00 0.00 40.66 40.74 1ui6 h LEU 107 CO -0.36 -0.56 0.61 -0.09 -0.62 0.00 0.00 178.44 177.43 1ui6 h ARG 108 N -0.85 0.57 -0.09 1.25 9.65 -0.78 0.23 114.38 124.36 1ui6 h ARG 108 Ca -0.04 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 1ui6 h ARG 108 Cb 0.73 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1ui6 h ARG 108 CO -0.02 0.38 -0.05 -0.07 2.80 0.00 0.00 179.97 183.01 1ui6 h LEU 109 N 0.59 0.19 -0.29 3.80 3.38 0.14 -0.61 115.31 122.50 1ui6 h LEU 109 Ca 0.61 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1ui6 h LEU 109 Cb 1.20 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1ui6 h LEU 109 CO -0.41 0.57 0.06 0.00 0.09 0.00 0.00 178.44 178.76 1ui6 h ALA 110 N 0.62 0.31 0.00 1.53 0.00 0.13 -2.20 119.26 119.65 1ui6 h ALA 110 Ca 0.02 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ui6 h ALA 110 Cb 0.50 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ui6 h ALA 110 CO 0.01 -0.35 -0.28 1.15 0.00 0.00 0.00 179.25 179.78 1ui6 h THR 111 N 0.17 0.81 0.00 0.00 2.02 -0.70 -2.08 112.91 113.13 1ui6 h THR 111 Ca 0.14 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1ui6 h THR 111 Cb 0.14 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1ui6 h THR 111 CO -0.18 0.28 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1ui6 h ALA 112 N 1.72 1.00 0.00 6.16 0.00 -0.50 -3.47 119.26 124.17 1ui6 h ALA 112 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ui6 h ALA 112 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ui6 h ALA 112 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1ui6 n GLY 113 N 0.30 0.90 3.74 0.00 0.00 -0.78 -5.06 105.19 104.28 1ui6 n GLY 113 Ca 0.02 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1ui6 n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ui6 s VAL 114 N -2.00 3.08 0.26 1.61 1.01 -0.98 -4.98 120.40 118.40 1ui6 s VAL 114 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1ui6 s VAL 114 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1ui6 s VAL 114 CO 0.00 0.12 1.04 -2.16 0.00 0.00 0.00 175.10 174.10 1ui6 s PRO 115 N 0.02 4.72 -0.22 2.72 0.04 -1.26 -4.70 135.00 136.33 1ui6 s PRO 115 Ca 0.59 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 1ui6 s PRO 115 Cb -0.38 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 1ui6 s PRO 115 CO 0.38 0.32 0.46 0.14 0.04 0.00 0.00 177.00 178.34 1ui6 s VAL 116 N -1.15 5.14 -0.20 -0.36 -7.23 -1.26 -4.99 120.40 110.36 1ui6 s VAL 116 Ca 0.43 0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 61.12 1ui6 s VAL 116 Cb -0.30 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 32.86 1ui6 s VAL 116 CO 0.38 0.19 1.24 -0.13 -0.31 0.00 0.00 175.10 176.47 1ui6 s ARG 117 N 1.64 4.18 1.03 4.82 0.52 -1.26 -4.91 118.95 124.97 1ui6 s ARG 117 Ca 0.21 1.54 -0.14 0.00 -0.52 0.00 0.00 55.73 56.81 1ui6 s ARG 117 Cb -0.15 -3.77 0.12 0.00 0.52 0.00 0.00 34.95 31.66 1ui6 s ARG 117 CO 0.09 -0.78 0.49 -2.30 0.02 0.00 0.00 175.30 172.82 1ui6 n PRO 118 N 6.71 -1.07 0.00 3.54 -0.02 -1.26 -3.00 135.00 139.90 1ui6 n PRO 118 Ca 0.14 -0.28 0.10 0.00 -2.02 0.00 0.00 63.50 61.44 1ui6 n PRO 118 Cb 0.45 -1.94 0.57 0.00 -0.02 0.00 0.00 33.50 32.56 1ui6 n PRO 118 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ui6 n PRO 119 N -2.72 0.97 -1.95 0.52 -0.04 -1.26 -5.07 135.00 125.46 1ui6 n PRO 119 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1ui6 n PRO 119 Cb 0.56 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 1ui6 n PRO 119 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ui6 s LEU 120 N -1.61 4.37 0.57 1.53 1.02 -1.16 -4.99 118.68 118.41 1ui6 s LEU 120 Ca 0.29 2.68 -0.09 0.00 0.02 0.00 0.00 54.13 57.03 1ui6 s LEU 120 Cb 0.13 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.69 1ui6 s LEU 120 CO 0.22 -0.78 0.95 -2.16 0.02 0.00 0.00 176.35 174.60 1ui6 s PRO 121 N 0.27 3.54 0.02 1.29 0.04 -1.26 -4.63 135.00 134.26 1ui6 s PRO 121 Ca 0.64 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1ui6 s PRO 121 Cb -0.43 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 1ui6 s PRO 121 CO 0.39 -0.46 1.40 -1.58 0.04 0.00 0.00 177.00 176.78 1ui6 s HIS 122 N -3.03 2.91 0.20 0.56 2.46 -1.26 -4.85 115.29 112.29 1ui6 s HIS 122 Ca 0.52 0.84 -0.21 0.00 0.47 0.00 0.00 55.06 56.69 1ui6 s HIS 122 Cb -0.11 -3.66 0.14 0.00 -0.13 0.00 0.00 32.58 28.82 1ui6 s HIS 122 CO 0.51 -2.42 1.56 -1.00 -2.47 0.00 0.00 174.74 170.92 1ui6 h PRO 123 N 7.68 -0.09 -0.64 2.88 0.13 -1.98 0.71 132.00 140.69 1ui6 h PRO 123 Ca -0.39 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.88 1ui6 h PRO 123 Cb 1.18 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1ui6 h PRO 123 CO 0.89 -0.06 0.12 0.74 -0.23 0.00 0.00 178.00 179.47 1ui6 h PHE 124 N -0.09 0.19 -0.74 1.56 -1.00 -1.98 0.42 116.94 115.30 1ui6 h PHE 124 Ca 0.27 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.08 1ui6 h PHE 124 Cb 0.56 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.10 1ui6 h PHE 124 CO -0.79 -0.06 0.45 1.15 -1.61 0.00 0.00 178.31 177.45 1ui6 h THR 125 N 0.24 1.21 0.01 -1.55 2.02 -0.05 -0.64 112.91 114.15 1ui6 h THR 125 Ca 0.34 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1ui6 h THR 125 Cb 0.54 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1ui6 h THR 125 CO -0.45 0.22 -0.00 -0.08 0.37 0.00 0.00 175.52 175.57 1ui6 h GLU 126 N 1.01 -0.01 -0.59 6.66 4.81 0.12 -2.07 114.58 124.51 1ui6 h GLU 126 Ca 0.27 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1ui6 h GLU 126 Cb -0.05 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1ui6 h GLU 126 CO -0.05 0.10 0.19 -1.49 -0.73 0.00 0.00 179.01 177.02 1ui6 h TRP 127 N -0.12 0.91 -0.50 0.92 6.55 0.06 -2.22 115.95 121.55 1ui6 h TRP 127 Ca -0.00 -0.07 -0.12 0.00 0.95 0.00 0.00 58.89 59.65 1ui6 h TRP 127 Cb 0.12 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.13 1ui6 h TRP 127 CO -0.04 0.73 -0.14 -0.09 -1.05 0.00 0.00 178.44 177.85 1ui6 h ARG 128 N 0.87 0.98 -0.32 0.49 2.43 -1.02 -2.20 114.38 115.61 1ui6 h ARG 128 Ca 0.20 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1ui6 h ARG 128 Cb 0.24 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1ui6 h ARG 128 CO -0.01 1.06 -0.13 0.93 -1.51 0.00 0.00 179.97 180.31 1ui6 h GLU 129 N 0.84 0.66 -0.38 0.20 5.08 -1.03 -0.38 114.58 119.56 1ui6 h GLU 129 Ca 0.13 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1ui6 h GLU 129 Cb 0.71 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1ui6 h GLU 129 CO 0.05 0.86 0.19 0.82 -1.00 0.00 0.00 179.01 179.93 1ui6 h ILE 130 N 0.42 1.17 -0.22 3.13 2.04 -1.43 0.15 117.51 122.77 1ui6 h ILE 130 Ca 0.07 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1ui6 h ILE 130 Cb 0.65 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1ui6 h ILE 130 CO 0.04 0.18 0.07 0.00 0.00 0.00 0.00 178.15 178.44 1ui6 h ALA 131 N 1.04 0.29 -0.22 1.87 0.00 -1.32 -2.54 119.26 118.38 1ui6 h ALA 131 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ui6 h ALA 131 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ui6 h ALA 131 CO -0.02 -0.08 0.14 1.15 0.00 0.00 0.00 179.25 180.44 1ui6 h THR 132 N 0.19 1.07 -0.73 0.00 2.02 -0.89 0.12 112.91 114.69 1ui6 h THR 132 Ca 0.07 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1ui6 h THR 132 Cb 0.24 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1ui6 h THR 132 CO -0.00 0.06 0.34 0.77 0.37 0.00 0.00 175.52 177.07 1ui6 h SER 133 N 0.29 0.96 -0.51 4.18 4.64 -0.70 -0.07 113.55 122.33 1ui6 h SER 133 Ca 0.08 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 1ui6 h SER 133 Cb -0.01 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 1ui6 h SER 133 CO -0.02 0.82 -0.04 0.03 -0.87 0.00 0.00 176.83 176.76 1ui6 h ARG 134 N 1.02 0.97 -0.71 4.77 3.08 -1.18 -2.16 114.38 120.17 1ui6 h ARG 134 Ca 0.25 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1ui6 h ARG 134 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1ui6 h ARG 134 CO -0.03 0.97 0.29 -0.07 -1.07 0.00 0.00 179.97 180.06 1ui6 h LEU 135 N 0.88 0.98 -1.21 3.04 3.38 -0.17 -1.27 115.31 120.94 1ui6 h LEU 135 Ca 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ui6 h LEU 135 Cb 0.56 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1ui6 h LEU 135 CO 0.03 0.88 0.44 -0.07 0.09 0.00 0.00 178.44 179.81 1ui6 h LEU 136 N 1.01 0.86 -0.87 1.67 3.38 -0.87 -1.38 115.31 119.11 1ui6 h LEU 136 Ca 0.24 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 1ui6 h LEU 136 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ui6 h LEU 136 CO -0.02 0.66 -0.32 0.44 0.09 0.00 0.00 178.44 179.29 1ui6 h ASP 137 N 1.00 0.47 -0.72 -0.43 5.19 -0.99 -2.68 116.42 118.26 1ui6 h ASP 137 Ca 0.26 -0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 1ui6 h ASP 137 Cb -0.05 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.30 1ui6 h ASP 137 CO -0.05 0.76 0.24 0.00 -3.12 0.00 0.00 179.24 177.07 1ui6 h ALA 138 N 1.27 1.03 -0.15 3.45 0.00 -0.17 0.75 119.26 125.44 1ui6 h ALA 138 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ui6 h ALA 138 Cb 0.75 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ui6 h ALA 138 CO 0.06 0.65 0.04 0.28 0.00 0.00 0.00 179.25 180.28 1ui6 h VAL 139 N 1.09 1.20 -0.90 0.00 2.07 -1.28 0.14 116.25 118.56 1ui6 h VAL 139 Ca 0.24 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.20 1ui6 h VAL 139 Cb 0.29 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1ui6 h VAL 139 CO -0.01 0.19 0.59 -0.09 0.02 0.00 0.00 177.57 178.26 1ui6 h ARG 140 N 0.04 1.00 0.00 1.57 2.43 -1.13 -0.06 114.38 118.24 1ui6 h ARG 140 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ui6 h ARG 140 Cb 0.25 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ui6 h ARG 140 CO 0.00 0.66 0.00 1.04 -1.51 0.00 0.00 179.97 180.16 1ui6 n GLN 141 N -4.48 0.91 -1.21 0.20 6.02 0.22 -4.90 117.38 114.14 1ui6 n GLN 141 Ca 0.13 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.05 1ui6 n GLN 141 Cb 0.19 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 1ui6 n GLN 141 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ui6 n SER 142 N -1.04 -4.35 0.01 1.08 7.64 -0.04 -4.90 113.62 112.03 1ui6 n SER 142 Ca 0.22 0.18 0.13 0.00 1.01 0.00 0.00 58.87 60.41 1ui6 n SER 142 Cb 0.13 -2.48 0.40 0.00 -1.01 0.00 0.00 64.21 61.25 1ui6 n SER 142 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ui6 n ASP 143 N 0.03 0.33 -3.92 6.43 8.00 -0.10 -4.73 116.55 122.60 1ui6 n ASP 143 Ca -0.07 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1ui6 n ASP 143 Cb 0.32 -0.13 -0.14 0.00 -0.02 0.00 0.00 41.12 41.15 1ui6 n ASP 143 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ui6 s VAL 144 N -3.02 0.24 0.42 2.53 1.01 -1.20 -4.13 120.40 116.24 1ui6 s VAL 144 Ca 0.12 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 1ui6 s VAL 144 Cb 0.17 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 36.25 1ui6 s VAL 144 CO 0.63 0.07 1.43 -1.00 0.00 0.00 0.00 175.10 176.23 1ui6 s HIS 145 N -0.08 2.55 0.53 5.22 3.76 0.56 -4.19 115.29 123.64 1ui6 s HIS 145 Ca 0.01 1.25 0.18 0.00 -0.15 0.00 0.00 55.06 56.34 1ui6 s HIS 145 Cb -0.01 -3.93 1.33 0.00 1.11 0.00 0.00 32.58 31.08 1ui6 s HIS 145 CO -0.00 -2.86 2.16 1.96 -0.85 0.00 0.00 174.74 175.15 1ui6 h GLN 146 N 2.63 0.00 -0.65 1.40 4.20 -1.91 -2.64 115.11 118.14 1ui6 h GLN 146 Ca -0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1ui6 h GLN 146 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1ui6 h GLN 146 CO 0.62 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.38 1ui6 n ASP 147 N -4.46 3.87 -4.78 1.46 3.85 -1.26 -4.94 116.55 110.28 1ui6 n ASP 147 Ca -0.03 -2.45 -0.35 0.00 -0.71 0.00 0.00 54.79 51.25 1ui6 n ASP 147 Cb 0.09 -0.54 -0.02 0.00 -1.35 0.00 0.00 41.12 39.30 1ui6 n ASP 147 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1ui6 s ILE 148 N -1.95 3.43 -0.75 2.12 -1.09 -1.00 -4.98 121.20 116.98 1ui6 s ILE 148 Ca 0.37 0.91 -0.20 0.00 -2.23 0.00 0.00 60.65 59.51 1ui6 s ILE 148 Cb 0.26 -3.38 0.11 0.00 -1.58 0.00 0.00 42.46 37.87 1ui6 s ILE 148 CO 0.15 -0.17 0.94 -0.62 -1.23 0.00 0.00 174.94 174.01 1ui6 s ASP 149 N -1.81 6.38 0.34 3.58 -1.08 -1.26 -4.91 116.67 117.91 1ui6 s ASP 149 Ca 0.69 -1.62 0.05 0.00 -0.52 0.00 0.00 52.55 51.15 1ui6 s ASP 149 Cb -0.21 -2.36 0.69 0.00 -1.46 0.00 0.00 42.92 39.57 1ui6 s ASP 149 CO 0.25 -1.15 1.92 -0.37 0.52 0.00 0.00 175.17 176.33 1ui6 h VAL 150 N 5.82 0.99 -0.16 1.11 -1.51 -1.97 -1.84 116.25 118.69 1ui6 h VAL 150 Ca -0.10 -0.29 0.01 0.00 -1.23 0.00 0.00 66.70 65.09 1ui6 h VAL 150 Cb 1.06 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 1ui6 h VAL 150 CO 1.10 0.15 0.09 0.44 -1.23 0.00 0.00 177.57 178.12 1ui6 h ASP 151 N 0.84 0.14 -0.93 4.19 3.32 -1.97 0.30 116.42 122.31 1ui6 h ASP 151 Ca 0.37 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 1ui6 h ASP 151 Cb 0.35 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1ui6 h ASP 151 CO -0.14 0.11 0.54 0.28 -1.72 0.00 0.00 179.24 178.30 1ui6 h SER 152 N 0.19 1.14 -0.48 6.45 0.02 -1.78 0.31 113.55 119.40 1ui6 h SER 152 Ca 0.06 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 1ui6 h SER 152 Cb 0.00 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 1ui6 h SER 152 CO -0.03 0.89 -0.17 0.58 -1.14 0.00 0.00 176.83 176.96 1ui6 h VAL 153 N 1.29 1.27 -0.45 2.27 2.07 -0.72 -1.57 116.25 120.41 1ui6 h VAL 153 Ca 0.33 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1ui6 h VAL 153 Cb -0.02 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1ui6 h VAL 153 CO -0.06 0.46 0.19 0.00 0.02 0.00 0.00 177.57 178.18 1ui6 h ALA 154 N 0.87 0.59 -0.47 1.67 0.00 0.33 -0.49 119.26 121.76 1ui6 h ALA 154 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ui6 h ALA 154 Cb 0.74 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1ui6 h ALA 154 CO 0.06 0.19 0.27 1.25 0.00 0.00 0.00 179.25 181.01 1ui6 h HIS 155 N 0.59 0.50 -0.76 0.00 2.76 -0.87 -0.60 115.15 116.78 1ui6 h HIS 155 Ca 0.15 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1ui6 h HIS 155 Cb 0.18 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 1ui6 h HIS 155 CO 0.00 0.27 0.49 1.15 -1.30 0.00 0.00 177.93 178.55 1ui6 h THR 156 N 0.53 1.16 -0.26 6.26 2.02 -0.73 -0.20 112.91 121.70 1ui6 h THR 156 Ca 0.20 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1ui6 h THR 156 Cb 0.05 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1ui6 h THR 156 CO -0.11 0.18 0.15 -0.07 0.37 0.00 0.00 175.52 176.05 1ui6 h LEU 157 N 0.99 0.31 -0.03 2.58 3.38 -0.32 0.36 115.31 122.57 1ui6 h LEU 157 Ca 0.29 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ui6 h LEU 157 Cb -0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ui6 h LEU 157 CO -0.08 0.27 0.01 0.58 0.09 0.00 0.00 178.44 179.30 1ui6 h VAL 158 N 0.32 1.18 0.00 1.22 2.07 -0.76 -2.26 116.25 118.03 1ui6 h VAL 158 Ca 0.09 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1ui6 h VAL 158 Cb 0.02 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ui6 h VAL 158 CO -0.02 0.14 -0.04 0.00 0.02 0.00 0.00 177.57 177.67 1ui6 h SER 160 N 0.00 0.00 0.03 0.00 4.64 0.35 -3.24 113.55 115.32 1ui6 h SER 160 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1ui6 h SER 160 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 1ui6 h SER 160 CO 0.01 0.03 -1.82 0.52 -0.87 0.00 0.00 176.83 174.70 1ui6 n VAL 161 N -3.14 1.58 -0.20 0.95 0.31 -0.73 -4.31 118.33 112.79 1ui6 n VAL 161 Ca 0.00 -0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 64.00 1ui6 n VAL 161 Cb 0.32 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.35 1ui6 n VAL 161 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1ui6 n VAL 162 N -4.09 0.65 -0.00 2.52 0.31 -0.49 -5.03 118.33 112.19 1ui6 n VAL 162 Ca -0.39 -0.36 -0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1ui6 n VAL 162 Cb 0.83 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1ui6 n VAL 162 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ui6 n ARG 176 N 3.93 0.00 0.00 5.55 3.00 -1.26 -4.81 116.66 123.07 1ui6 n ARG 176 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1ui6 n ARG 176 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.55 1ui6 n ARG 176 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ui6 n GLU 177 N 0.01 0.14 -0.10 -0.14 1.02 -1.26 -4.61 120.64 115.69 1ui6 n GLU 177 Ca -0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1ui6 n GLU 177 Cb 0.00 -0.71 0.10 0.00 -0.02 0.00 0.00 31.44 30.81 1ui6 n GLU 177 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ui6 h PRO 178 N 0.00 0.80 -0.84 3.49 0.13 -1.95 -0.93 132.00 132.70 1ui6 h PRO 178 Ca 0.00 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1ui6 h PRO 178 Cb 0.43 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 1ui6 h PRO 178 CO 0.00 0.91 0.47 -0.09 -0.23 0.00 0.00 178.00 179.06 1ui6 h ARG 179 N 0.71 1.16 -0.07 0.86 2.43 -1.94 -1.06 114.38 116.46 1ui6 h ARG 179 Ca 0.11 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1ui6 h ARG 179 Cb 0.66 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1ui6 h ARG 179 CO 0.05 0.84 -0.70 0.00 -1.51 0.00 0.00 179.97 178.64 1ui6 h ARG 180 N 1.16 0.35 -0.10 0.20 3.08 -1.77 -0.60 114.38 116.70 1ui6 h ARG 180 Ca 0.30 -0.28 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1ui6 h ARG 180 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ui6 h ARG 180 CO -0.05 0.92 -0.72 1.25 -1.07 0.00 0.00 179.97 180.30 1ui6 h LEU 181 N 0.24 0.58 -0.02 3.04 5.85 -0.96 -2.41 115.31 121.63 1ui6 h LEU 181 Ca -0.02 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1ui6 h LEU 181 Cb 1.26 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1ui6 h LEU 181 CO 0.12 1.12 -0.01 0.00 -0.34 0.00 0.00 178.44 179.33 1ui6 h ALA 182 N 0.87 0.02 -0.65 1.25 0.00 -1.07 -1.00 119.26 118.68 1ui6 h ALA 182 Ca -0.03 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ui6 h ALA 182 Cb 1.31 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1ui6 h ALA 182 CO 0.13 -0.23 0.15 0.93 0.00 0.00 0.00 179.25 180.22 1ui6 h GLU 183 N -0.41 0.26 -0.06 0.00 4.39 -1.12 -0.10 114.58 117.54 1ui6 h GLU 183 Ca 0.00 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 1ui6 h GLU 183 Cb 0.48 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ui6 h GLU 183 CO 0.00 0.17 -0.41 0.52 -1.16 0.00 0.00 179.01 178.14 1ui6 h MET 184 N 0.27 0.14 -0.39 2.33 2.86 -1.36 -2.87 114.93 115.92 1ui6 h MET 184 Ca 0.35 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.82 1ui6 h MET 184 Cb 0.55 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1ui6 h MET 184 CO -0.44 0.53 -0.19 -1.49 1.06 0.00 0.00 176.91 176.38 1ui6 h TRP 185 N 0.11 0.83 -0.37 -0.22 4.06 0.34 -1.34 115.95 119.36 1ui6 h TRP 185 Ca 0.01 -0.17 -0.05 0.00 2.06 0.00 0.00 58.89 60.74 1ui6 h TRP 185 Cb 0.77 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1ui6 h TRP 185 CO 0.01 0.87 0.05 1.88 -3.56 0.00 0.00 178.44 177.69 1ui6 h TYR 186 N 0.65 0.66 -0.51 0.49 0.05 -1.10 0.22 116.97 117.44 1ui6 h TYR 186 Ca 0.10 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ui6 h TYR 186 Cb 0.68 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.21 1ui6 h TYR 186 CO 0.03 0.68 0.32 0.82 -1.05 0.00 0.00 178.16 178.96 1ui6 h ILE 187 N 0.45 1.15 -0.41 -2.88 2.04 -1.28 -0.36 117.51 116.23 1ui6 h ILE 187 Ca 0.11 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1ui6 h ILE 187 Cb 0.38 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1ui6 h ILE 187 CO 0.01 0.15 0.05 -0.07 0.00 0.00 0.00 178.15 178.29 1ui6 h LEU 188 N 0.69 0.67 -0.20 1.44 3.38 -1.08 -2.38 115.31 117.83 1ui6 h LEU 188 Ca 0.18 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1ui6 h LEU 188 Cb -0.03 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1ui6 h LEU 188 CO -0.04 0.78 -0.06 0.40 0.09 0.00 0.00 178.44 179.61 1ui6 h ILE 189 N 0.54 0.76 -1.00 1.22 2.04 -0.57 0.23 117.51 120.73 1ui6 h ILE 189 Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.04 1ui6 h ILE 189 Cb 0.41 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1ui6 h ILE 189 CO 0.01 0.00 0.65 0.03 0.00 0.00 0.00 178.15 178.84 1ui6 h ARG 190 N -0.02 1.15 -0.00 2.37 3.08 -0.95 -2.40 114.38 117.61 1ui6 h ARG 190 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ui6 h ARG 190 Cb 0.18 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1ui6 h ARG 190 CO -0.22 0.76 -0.44 0.41 -1.07 0.00 0.00 179.97 179.41 1ui6 n GLY 191 N -1.37 -1.23 0.00 0.04 0.00 -0.71 -4.57 105.19 97.35 1ui6 n GLY 191 Ca 0.15 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ui6 n GLY 191 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ui6 n MET 192 N -1.45 2.81 -4.07 1.61 0.00 0.71 -5.00 117.12 111.74 1ui6 n MET 192 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.40 1ui6 n MET 192 Cb 0.34 -0.31 -0.08 0.00 0.00 0.00 0.00 33.22 33.16 1ui6 n MET 192 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ui6 s VAL 193 N -0.31 4.95 0.45 3.17 1.01 -0.91 -0.32 120.40 128.45 1ui6 s VAL 193 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1ui6 s VAL 193 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 1ui6 s VAL 193 CO 0.00 0.58 1.45 -2.65 0.00 0.00 0.00 175.10 174.47 1ui6 n PRO 194 N 2.40 2.29 -0.29 2.72 -0.02 -1.26 -4.77 135.00 136.07 1ui6 n PRO 194 Ca -0.19 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.22 1ui6 n PRO 194 Cb 0.54 -2.65 0.25 0.00 -0.02 0.00 0.00 33.50 31.62 1ui6 n PRO 194 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ui6 h VAL 195 N 2.32 0.30 0.00 -1.45 2.07 -1.96 -0.17 116.25 117.36 1ui6 h VAL 195 Ca -0.51 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ui6 h VAL 195 Cb 1.27 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ui6 h VAL 195 CO 0.61 0.03 0.00 1.07 0.02 0.00 0.00 177.57 179.30 1ui6 n THR 196 N -5.28 0.87 0.16 2.57 5.66 -1.26 -2.43 114.28 114.57 1ui6 n THR 196 Ca 0.19 0.31 0.02 0.00 -3.05 0.00 0.00 64.05 61.52 1ui6 n THR 196 Cb 0.63 -1.25 0.02 0.00 -1.55 0.00 0.00 70.33 68.18 1ui6 n THR 196 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ui6 n ARG 197 N -2.23 -0.36 0.08 1.09 1.74 -0.13 -4.78 116.66 112.07 1ui6 n ARG 197 Ca 0.02 -0.76 -0.13 0.00 -0.77 0.00 0.00 57.85 56.20 1ui6 n ARG 197 Cb 0.20 -1.08 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 1ui6 n ARG 197 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ui6 h ARG 198 N 0.79 -0.15 -0.80 5.56 3.08 -1.07 -3.27 114.38 118.52 1ui6 h ARG 198 Ca 0.00 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.20 1ui6 h ARG 198 Cb 0.18 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1ui6 h ARG 198 CO 0.00 0.01 0.53 0.00 -1.07 0.00 0.00 179.97 179.44 1ui6 h ALA 199 N 0.60 1.96 -0.81 0.04 0.00 -1.86 0.69 119.26 119.88 1ui6 h ALA 199 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ui6 h ALA 199 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ui6 h ALA 199 CO 0.03 -0.16 0.33 -0.09 0.00 0.00 0.00 179.25 179.35 1ui6 h ARG 200 N 0.56 1.20 0.03 0.00 2.43 -1.91 -1.58 114.38 115.11 1ui6 h ARG 200 Ca 0.39 -0.22 -0.24 0.00 -0.81 0.00 0.00 59.98 59.11 1ui6 h ARG 200 Cb 0.73 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1ui6 h ARG 200 CO -0.15 0.97 -1.01 1.88 -1.51 0.00 0.00 179.97 180.15 1ui6 h TYR 201 N 1.17 0.65 -0.13 2.20 -1.99 -1.02 -1.86 116.97 115.99 1ui6 h TYR 201 Ca 0.27 -0.37 0.01 0.00 2.00 0.00 0.00 58.73 60.64 1ui6 h TYR 201 Cb 0.21 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 1ui6 h TYR 201 CO 0.02 1.21 0.06 0.28 -0.00 0.00 0.00 178.16 179.72 1ui6 h VAL 202 N 0.22 0.99 -0.29 -2.88 2.07 -1.10 0.16 116.25 115.42 1ui6 h VAL 202 Ca -0.10 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 1ui6 h VAL 202 Cb 1.66 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1ui6 h VAL 202 CO 0.18 0.02 -0.14 0.71 0.02 0.00 0.00 177.57 178.36 1ui6 h THR 203 N 0.13 1.24 -0.37 2.57 1.35 -1.28 -1.35 112.91 115.19 1ui6 h THR 203 Ca 0.05 -1.06 -0.04 0.00 -0.55 0.00 0.00 66.41 64.81 1ui6 h THR 203 Cb 0.02 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1ui6 h THR 203 CO -0.05 0.34 0.07 0.25 -0.25 0.00 0.00 175.52 175.89 1ui6 h LEU 204 N 0.46 0.59 0.00 3.87 5.85 -0.72 0.13 115.31 125.49 1ui6 h LEU 204 Ca 0.08 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1ui6 h LEU 204 Cb 0.52 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ui6 h LEU 204 CO 0.03 0.69 -0.02 0.00 -0.34 0.00 0.00 178.44 178.81 1ui6 h ALA 205 N 0.92 -0.02 -0.99 1.25 0.00 -0.50 0.60 119.26 120.52 1ui6 h ALA 205 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1ui6 h ALA 205 Cb 0.35 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1ui6 h ALA 205 CO 0.01 -0.52 0.65 0.00 0.00 0.00 0.00 179.25 179.39 1ui6 h ALA 206 N 0.96 1.33 -0.11 0.00 0.00 -1.06 -1.66 119.26 118.73 1ui6 h ALA 206 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ui6 h ALA 206 Cb 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1ui6 h ALA 206 CO -0.01 0.51 -0.02 -0.09 0.00 0.00 0.00 179.25 179.63 1ui6 h ARG 207 N 1.23 0.21 -0.90 0.00 2.43 -0.15 -2.70 114.38 114.49 1ui6 h ARG 207 Ca 0.41 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1ui6 h ARG 207 Cb 0.05 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1ui6 h ARG 207 CO -0.14 0.50 0.59 -0.07 -1.51 0.00 0.00 179.97 179.34 1ui6 h LEU 208 N -0.11 1.00 0.23 3.80 3.38 -0.62 -1.24 115.31 121.76 1ui6 h LEU 208 Ca 0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1ui6 h LEU 208 Cb 0.43 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ui6 h LEU 208 CO 0.01 0.71 -0.26 -0.08 0.09 0.00 0.00 178.44 178.91 1ui6 h GLU 209 N 1.18 -0.52 -0.59 1.13 4.81 -1.22 0.25 114.58 119.63 1ui6 h GLU 209 Ca 0.34 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.69 1ui6 h GLU 209 Cb -0.08 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1ui6 h GLU 209 CO -0.09 -0.34 0.39 1.96 -0.73 0.00 0.00 179.01 180.20 1ui6 h GLN 210 N -0.54 0.46 0.12 1.92 1.08 -1.13 -2.98 115.11 114.04 1ui6 h GLN 210 Ca 0.00 -0.03 -0.30 0.00 -1.45 0.00 0.00 58.65 56.87 1ui6 h GLN 210 Cb 0.51 -0.10 0.03 0.00 -0.05 0.00 0.00 27.48 27.87 1ui6 h GLN 210 CO -0.08 0.30 -1.25 0.93 -0.95 0.00 0.00 178.83 177.79 1ui6 h GLU 211 N 0.47 0.63 -0.02 1.46 5.08 -0.60 -3.52 114.58 118.09 1ui6 h GLU 211 Ca 0.26 -0.84 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1ui6 h GLU 211 Cb 0.42 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ui6 h GLU 211 CO -0.08 1.39 0.00 0.25 -1.00 0.00 0.00 179.01 179.57