#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs6 s VAL 2 N 0.00 4.77 0.44 0.44 1.01 -1.26 -4.47 120.40 121.32 1bs6 s VAL 2 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 61.98 62.72 1bs6 s VAL 2 Cb 0.00 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1bs6 s VAL 2 CO 0.00 -0.36 1.01 -0.76 0.00 0.00 0.00 175.10 174.99 1bs6 s LEU 3 N 3.01 3.97 0.07 3.92 1.43 -1.26 -5.01 118.68 124.81 1bs6 s LEU 3 Ca 0.31 1.88 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 1bs6 s LEU 3 Cb -0.14 -4.44 -0.05 0.00 0.03 0.00 0.00 46.19 41.59 1bs6 s LEU 3 CO 0.15 -0.56 1.06 -1.58 0.23 0.00 0.00 176.35 175.66 1bs6 s GLN 4 N -2.99 4.56 -0.17 1.70 0.74 -1.26 -4.92 119.66 117.31 1bs6 s GLN 4 Ca 0.63 1.58 -0.17 0.00 0.05 0.00 0.00 55.36 57.45 1bs6 s GLN 4 Cb -0.16 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 1bs6 s GLN 4 CO 0.20 -0.04 0.45 0.08 -0.55 0.00 0.00 175.29 175.43 1bs6 s VAL 5 N 0.60 5.18 0.46 1.34 1.01 -1.26 -4.51 120.40 123.21 1bs6 s VAL 5 Ca 0.52 0.84 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 1bs6 s VAL 5 Cb -0.25 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1bs6 s VAL 5 CO 0.30 0.27 1.07 -0.76 0.00 0.00 0.00 175.10 175.98 1bs6 s LEU 6 N 1.11 3.97 0.29 3.92 1.43 -0.02 -5.00 118.68 124.37 1bs6 s LEU 6 Ca 0.22 2.06 0.10 0.00 -1.03 0.00 0.00 54.13 55.49 1bs6 s LEU 6 Cb -0.15 -4.38 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 1bs6 s LEU 6 CO 0.09 -0.75 -0.09 -1.00 0.23 0.00 0.00 176.35 174.83 1bs6 s HIS 7 N -1.77 2.49 0.34 0.29 3.76 -1.26 -4.36 115.29 114.78 1bs6 s HIS 7 Ca 0.64 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.96 1bs6 s HIS 7 Cb -0.21 -1.16 -0.10 0.00 1.11 0.00 0.00 32.58 32.22 1bs6 s HIS 7 CO 0.26 0.64 1.24 0.96 -0.85 0.00 0.00 174.74 176.99 1bs6 s ILE 8 N -2.44 2.94 -0.43 0.60 -4.36 -0.56 -1.27 121.20 115.68 1bs6 s ILE 8 Ca 0.31 0.91 0.04 0.00 -0.26 0.00 0.00 60.65 61.65 1bs6 s ILE 8 Cb -0.05 -3.56 0.54 0.00 1.25 0.00 0.00 42.46 40.64 1bs6 s ILE 8 CO 0.18 0.19 1.71 -0.81 0.24 0.00 0.00 174.94 176.45 1bs6 n PRO 9 N 0.68 2.38 -1.67 0.37 -0.04 -1.26 -4.82 135.00 130.63 1bs6 n PRO 9 Ca 0.01 -3.28 -0.54 0.00 -0.04 0.00 0.00 63.50 59.65 1bs6 n PRO 9 Cb 0.43 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.73 1bs6 n PRO 9 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bs6 n ASP 10 N -1.04 2.48 0.30 3.54 -0.08 -0.40 -4.84 116.55 116.52 1bs6 n ASP 10 Ca 0.50 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 55.04 1bs6 n ASP 10 Cb 1.14 -1.22 0.91 0.00 2.34 0.00 0.00 41.12 44.29 1bs6 n ASP 10 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1bs6 h GLU 11 N 6.88 0.00 0.00 -0.67 5.08 -2.01 -1.64 114.58 122.23 1bs6 h GLU 11 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1bs6 h GLU 11 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1bs6 h GLU 11 CO 0.91 0.02 0.00 0.54 -1.00 0.00 0.00 179.01 179.48 1bs6 n ARG 12 N -3.15 0.22 0.12 2.33 1.74 -1.26 -1.63 116.66 115.03 1bs6 n ARG 12 Ca -0.01 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.47 1bs6 n ARG 12 Cb 0.20 -1.82 0.48 0.00 -1.02 0.00 0.00 32.46 30.30 1bs6 n ARG 12 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1bs6 n LEU 13 N -2.22 0.55 -1.08 0.55 4.32 -0.62 -2.73 117.00 115.78 1bs6 n LEU 13 Ca 0.04 0.67 0.08 0.00 -0.02 0.00 0.00 56.01 56.78 1bs6 n LEU 13 Cb 0.34 -0.63 0.26 0.00 -1.62 0.00 0.00 43.42 41.77 1bs6 n LEU 13 CO 0.26 -0.63 0.72 0.54 -1.22 0.00 0.00 177.39 177.06 1bs6 n ARG 14 N -2.14 3.14 -2.91 3.23 5.12 -0.65 -4.44 116.66 118.02 1bs6 n ARG 14 Ca 0.01 -2.54 -0.40 0.00 -1.93 0.00 0.00 57.85 52.99 1bs6 n ARG 14 Cb 0.16 -1.61 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 1bs6 n ARG 14 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs6 s LYS 15 N -1.60 4.61 0.06 5.56 1.02 -1.10 -4.54 119.74 123.75 1bs6 s LYS 15 Ca 0.39 1.23 -0.30 0.00 0.02 0.00 0.00 55.97 57.31 1bs6 s LYS 15 Cb 0.24 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.20 1bs6 s LYS 15 CO 0.20 0.44 0.95 0.08 -0.92 0.00 0.00 175.35 176.10 1bs6 s VAL 16 N -0.73 4.68 0.39 3.17 1.01 -1.26 -3.67 120.40 123.99 1bs6 s VAL 16 Ca 0.39 2.03 -0.16 0.00 0.00 0.00 0.00 61.98 64.23 1bs6 s VAL 16 Cb -0.23 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1bs6 s VAL 16 CO 0.27 0.25 0.84 0.00 0.00 0.00 0.00 175.10 176.46 1bs6 s ALA 17 N 0.44 3.20 0.14 5.51 0.00 0.21 -4.94 121.76 126.32 1bs6 s ALA 17 Ca 0.48 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 1bs6 s ALA 17 Cb -0.22 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1bs6 s ALA 17 CO 0.28 0.15 0.37 0.15 0.00 0.00 0.00 175.76 176.71 1bs6 s LYS 18 N -3.31 3.60 0.65 0.00 1.02 -0.69 -4.79 119.74 116.21 1bs6 s LYS 18 Ca 0.57 -0.13 -0.17 0.00 0.02 0.00 0.00 55.97 56.26 1bs6 s LYS 18 Cb -0.10 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1bs6 s LYS 18 CO 0.20 0.47 1.17 -1.25 -0.92 0.00 0.00 175.35 175.01 1bs6 s PRO 19 N -2.70 2.72 -0.01 -1.68 0.04 -1.26 -1.06 135.00 131.04 1bs6 s PRO 19 Ca 0.40 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 1bs6 s PRO 19 Cb -0.12 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1bs6 s PRO 19 CO 0.25 -1.36 1.40 0.08 0.04 0.00 0.00 177.00 177.40 1bs6 s VAL 20 N -1.96 3.76 0.07 -0.36 1.01 -1.26 -4.75 120.40 116.91 1bs6 s VAL 20 Ca 0.73 1.12 -0.10 0.00 0.00 0.00 0.00 61.98 63.73 1bs6 s VAL 20 Cb -0.26 -3.72 -0.27 0.00 0.00 0.00 0.00 36.38 32.13 1bs6 s VAL 20 CO 0.38 -0.01 1.15 -0.33 0.00 0.00 0.00 175.10 176.29 1bs6 h GLU 21 N 7.91 0.50 -2.71 2.72 3.07 -2.02 -3.46 114.58 120.59 1bs6 h GLU 21 Ca -0.37 -0.67 -0.13 0.00 -0.50 0.00 0.00 59.36 57.68 1bs6 h GLU 21 Cb 1.17 0.22 -0.28 0.00 -0.84 0.00 0.00 28.75 29.03 1bs6 h GLU 21 CO 0.91 1.29 -0.35 -2.00 -1.40 0.00 0.00 179.01 177.45 1bs6 s GLU 22 N -2.95 0.34 -0.57 2.33 2.12 -1.26 -5.10 118.70 113.60 1bs6 s GLU 22 Ca -0.07 0.77 -0.23 0.00 0.36 0.00 0.00 54.97 55.79 1bs6 s GLU 22 Cb 0.07 -0.00 0.05 0.00 0.26 0.00 0.00 34.13 34.50 1bs6 s GLU 22 CO 0.91 -0.18 0.92 0.08 -0.54 0.00 0.00 175.26 176.46 1bs6 s VAL 23 N 1.56 4.41 0.00 3.70 1.01 -1.26 -4.82 120.40 125.00 1bs6 s VAL 23 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1bs6 s VAL 23 Cb -0.09 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1bs6 s VAL 23 CO -0.12 -1.18 0.00 -0.46 0.00 0.00 0.00 175.10 173.34 1bs6 n ASN 24 N 7.44 0.60 0.27 3.32 0.23 -1.26 -4.82 115.26 121.03 1bs6 n ASN 24 Ca -0.00 -0.72 0.13 0.00 -0.53 0.00 0.00 54.58 53.46 1bs6 n ASN 24 Cb 0.47 0.00 0.75 0.00 -2.08 0.00 0.00 39.78 38.92 1bs6 n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs6 h ALA 25 N 1.00 1.25 -0.09 -2.53 0.00 -1.98 0.19 119.26 117.11 1bs6 h ALA 25 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1bs6 h ALA 25 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bs6 h ALA 25 CO 0.00 0.13 -0.88 0.93 0.00 0.00 0.00 179.25 179.43 1bs6 h GLU 26 N 0.00 0.72 -0.46 0.00 4.39 -1.97 -2.49 114.58 114.78 1bs6 h GLU 26 Ca -0.00 -0.66 -0.00 0.00 0.34 0.00 0.00 59.36 59.04 1bs6 h GLU 26 Cb 0.33 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1bs6 h GLU 26 CO 0.01 1.26 0.28 0.82 -1.16 0.00 0.00 179.01 180.22 1bs6 h ILE 27 N 0.46 1.14 0.00 3.13 1.08 -1.55 -1.91 117.51 119.86 1bs6 h ILE 27 Ca -0.08 -0.32 -0.06 0.00 -0.39 0.00 0.00 64.86 64.01 1bs6 h ILE 27 Cb 1.51 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1bs6 h ILE 27 CO 0.17 0.14 -0.30 1.56 -0.69 0.00 0.00 178.15 179.04 1bs6 h GLN 28 N 0.61 0.00 -0.29 2.37 4.20 -0.72 -0.94 115.11 120.34 1bs6 h GLN 28 Ca 0.17 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.69 1bs6 h GLN 28 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1bs6 h GLN 28 CO -0.03 0.30 -0.55 -0.09 -0.67 0.00 0.00 178.83 177.78 1bs6 h ARG 29 N 0.00 0.88 -0.63 1.46 2.43 -1.04 -1.71 114.38 115.76 1bs6 h ARG 29 Ca -0.00 -0.56 0.04 0.00 -0.81 0.00 0.00 59.98 58.65 1bs6 h ARG 29 Cb 0.65 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 1bs6 h ARG 29 CO 0.04 1.20 0.37 0.82 -1.51 0.00 0.00 179.97 180.88 1bs6 h ILE 30 N 0.68 1.01 -0.06 1.20 2.04 -0.52 -1.50 117.51 120.36 1bs6 h ILE 30 Ca 0.01 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1bs6 h ILE 30 Cb 1.16 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1bs6 h ILE 30 CO 0.12 0.13 -0.08 0.58 0.00 0.00 0.00 178.15 178.91 1bs6 h VAL 31 N 0.70 0.79 -0.71 1.67 2.07 -1.04 -0.62 116.25 119.10 1bs6 h VAL 31 Ca 0.27 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.87 1bs6 h VAL 31 Cb 0.11 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1bs6 h VAL 31 CO -0.15 0.00 0.38 0.44 0.02 0.00 0.00 177.57 178.27 1bs6 h ASP 32 N -0.10 0.54 1.20 0.57 3.32 -1.02 -0.34 116.42 120.59 1bs6 h ASP 32 Ca 0.05 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1bs6 h ASP 32 Cb 0.18 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1bs6 h ASP 32 CO -0.13 0.33 -0.41 0.44 -1.72 0.00 0.00 179.24 177.76 1bs6 h ASP 33 N 0.68 0.00 -0.12 6.45 5.19 -1.01 -2.11 116.42 125.50 1bs6 h ASP 33 Ca 0.33 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.61 1bs6 h ASP 33 Cb 0.27 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.79 1bs6 h ASP 33 CO -0.22 0.41 -0.45 0.24 -3.12 0.00 0.00 179.24 176.10 1bs6 h MET 34 N 0.00 0.52 -0.35 3.56 2.86 0.09 -0.44 114.93 121.17 1bs6 h MET 34 Ca -0.00 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1bs6 h MET 34 Cb 1.12 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1bs6 h MET 34 CO 0.05 1.02 0.18 0.74 1.06 0.00 0.00 176.91 179.97 1bs6 h PHE 35 N 0.12 0.49 -0.40 -0.22 0.04 -1.12 0.14 116.94 115.99 1bs6 h PHE 35 Ca -0.02 -0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.80 1bs6 h PHE 35 Cb 1.08 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 39.02 1bs6 h PHE 35 CO 0.11 0.40 0.05 0.93 -0.60 0.00 0.00 178.31 179.20 1bs6 h GLU 36 N 0.43 0.16 -0.57 1.51 5.08 -1.39 0.23 114.58 120.03 1bs6 h GLU 36 Ca 0.12 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1bs6 h GLU 36 Cb 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1bs6 h GLU 36 CO -0.02 0.10 0.05 1.15 -1.00 0.00 0.00 179.01 179.30 1bs6 h THR 37 N 0.16 1.26 -0.04 1.13 2.02 -0.67 -1.01 112.91 115.77 1bs6 h THR 37 Ca 0.20 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 1bs6 h THR 37 Cb 0.26 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1bs6 h THR 37 CO -0.29 0.38 0.02 -0.03 0.37 0.00 0.00 175.52 175.97 1bs6 h MET 38 N 0.86 0.05 -0.34 6.66 1.85 -0.07 -1.39 114.93 122.54 1bs6 h MET 38 Ca 0.17 -0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.20 1bs6 h MET 38 Cb 0.48 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.48 1bs6 h MET 38 CO 0.02 0.15 -0.01 1.88 -0.40 0.00 0.00 176.91 178.55 1bs6 h TYR 39 N -0.06 0.56 -0.29 1.39 0.05 -0.88 0.33 116.97 118.06 1bs6 h TYR 39 Ca 0.01 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 1bs6 h TYR 39 Cb 0.12 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1bs6 h TYR 39 CO -0.04 0.56 -0.22 0.00 -1.05 0.00 0.00 178.16 177.41 1bs6 h ALA 40 N 1.48 1.07 -0.02 3.88 0.00 -0.95 -2.34 119.26 122.38 1bs6 h ALA 40 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bs6 h ALA 40 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bs6 h ALA 40 CO 0.01 0.57 -0.01 0.39 0.00 0.00 0.00 179.25 180.21 1bs6 n GLU 41 N -4.13 1.87 -3.44 0.00 -0.58 -0.55 -4.95 120.64 108.86 1bs6 n GLU 41 Ca -0.00 -1.27 -0.19 0.00 -0.42 0.00 0.00 57.16 55.28 1bs6 n GLU 41 Cb 0.40 -1.47 0.08 0.00 -0.57 0.00 0.00 31.44 29.88 1bs6 n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs6 n GLU 42 N 0.54 -6.84 -3.44 3.49 -0.58 -0.03 -5.03 120.64 108.75 1bs6 n GLU 42 Ca 0.17 0.81 -0.19 0.00 -0.42 0.00 0.00 57.16 57.53 1bs6 n GLU 42 Cb 0.43 -5.75 -0.02 0.00 -0.57 0.00 0.00 31.44 25.54 1bs6 n GLU 42 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1bs6 s GLY 43 N -3.96 1.91 0.00 0.62 0.00 -0.43 -5.02 107.32 100.44 1bs6 s GLY 43 Ca 0.20 -1.70 0.17 0.00 0.00 0.00 0.00 44.72 43.39 1bs6 s GLY 43 CO 0.70 -1.55 0.88 0.29 0.00 0.00 0.00 173.10 173.41 1bs6 n ILE 44 N -1.62 0.00 -3.62 0.90 -5.35 -1.26 -4.61 119.36 103.80 1bs6 n ILE 44 Ca 0.03 -0.31 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1bs6 n ILE 44 Cb 0.60 1.19 -0.06 0.00 -1.74 0.00 0.00 39.64 39.62 1bs6 n ILE 44 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs6 s GLY 45 N -2.03 -0.36 -0.16 3.28 0.00 -1.26 -1.31 107.32 105.48 1bs6 s GLY 45 Ca 0.14 0.60 -0.09 0.00 0.00 0.00 0.00 44.72 45.36 1bs6 s GLY 45 CO 0.45 0.32 0.39 -2.27 0.00 0.00 0.00 173.10 171.98 1bs6 s LEU 46 N -1.72 0.05 0.01 0.66 2.96 -0.12 -4.99 118.68 115.53 1bs6 s LEU 46 Ca -0.08 0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1bs6 s LEU 46 Cb -0.01 1.26 -0.04 0.00 0.50 0.00 0.00 46.19 47.90 1bs6 s LEU 46 CO 0.01 -0.18 0.23 0.00 -1.32 0.00 0.00 176.35 175.09 1bs6 s ALA 47 N 1.24 3.90 0.49 5.97 0.00 -1.26 -1.26 121.76 130.84 1bs6 s ALA 47 Ca -0.08 -0.66 0.18 0.00 0.00 0.00 0.00 51.96 51.39 1bs6 s ALA 47 Cb -0.08 -1.98 1.22 0.00 0.00 0.00 0.00 23.12 22.28 1bs6 s ALA 47 CO -0.11 0.70 2.05 0.00 0.00 0.00 0.00 175.76 178.40 1bs6 h ALA 48 N 3.86 2.16 0.00 0.00 0.00 -1.32 -2.10 119.26 121.85 1bs6 h ALA 48 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bs6 h ALA 48 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1bs6 h ALA 48 CO 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1bs6 h THR 49 N 0.14 0.00 0.00 0.00 1.03 -1.76 -1.00 112.91 111.33 1bs6 h THR 49 Ca 0.17 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1bs6 h THR 49 Cb 0.49 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.09 1bs6 h THR 49 CO -0.02 0.00 0.00 1.56 -0.01 0.00 0.00 175.52 177.05 1bs6 h GLN 50 N 0.00 0.00 -0.50 0.00 4.20 -1.68 -2.64 115.11 114.48 1bs6 h GLN 50 Ca 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1bs6 h GLN 50 Cb 0.63 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.28 1bs6 h GLN 50 CO 0.00 0.00 0.12 1.33 -0.67 0.00 0.00 178.83 179.61 1bs6 n VAL 51 N -2.76 2.67 -2.36 -0.54 0.24 -0.40 -0.84 118.33 114.34 1bs6 n VAL 51 Ca 0.02 -2.26 -0.21 0.00 -2.04 0.00 0.00 64.34 59.85 1bs6 n VAL 51 Cb 0.33 -0.34 -0.01 0.00 -1.47 0.00 0.00 33.84 32.35 1bs6 n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs6 n ASP 52 N -0.86 -5.90 -4.10 -1.34 2.03 -1.00 -4.87 116.55 100.51 1bs6 n ASP 52 Ca 0.36 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.35 1bs6 n ASP 52 Cb 1.17 -4.92 -0.15 0.00 -0.72 0.00 0.00 41.12 36.50 1bs6 n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs6 s ILE 53 N -3.03 2.19 -1.00 5.18 1.01 -1.06 -5.02 121.20 119.46 1bs6 s ILE 53 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.32 1bs6 s ILE 53 Cb 0.00 -2.13 0.31 0.00 0.01 0.00 0.00 42.46 40.65 1bs6 s ILE 53 CO 0.00 0.21 1.57 1.41 0.00 0.00 0.00 174.94 178.13 1bs6 n HIS 54 N 4.52 2.68 -4.31 3.97 8.25 -1.26 -2.69 115.22 126.38 1bs6 n HIS 54 Ca -0.17 -2.75 -0.18 0.00 -0.26 0.00 0.00 57.72 54.37 1bs6 n HIS 54 Cb 0.45 -1.14 -0.10 0.00 1.12 0.00 0.00 29.99 30.33 1bs6 n HIS 54 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs6 s GLN 55 N -3.55 1.22 -1.36 -0.41 -0.21 -1.26 -1.71 119.66 112.39 1bs6 s GLN 55 Ca 0.36 -1.49 -0.14 0.00 0.02 0.00 0.00 55.36 54.10 1bs6 s GLN 55 Cb 0.14 -0.99 0.08 0.00 1.00 0.00 0.00 33.01 33.24 1bs6 s GLN 55 CO -0.02 0.17 1.94 0.54 -2.12 0.00 0.00 175.29 175.79 1bs6 n ARG 56 N -0.16 3.14 -4.77 2.91 1.74 -0.22 -4.57 116.66 114.72 1bs6 n ARG 56 Ca -0.10 -3.09 -0.27 0.00 -0.77 0.00 0.00 57.85 53.62 1bs6 n ARG 56 Cb 0.60 -3.27 -0.17 0.00 -1.02 0.00 0.00 32.46 28.60 1bs6 n ARG 56 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs6 s ILE 57 N 2.91 1.41 -0.05 0.55 1.01 -1.26 -0.41 121.20 125.36 1bs6 s ILE 57 Ca 0.48 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.53 1bs6 s ILE 57 Cb 0.08 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.29 1bs6 s ILE 57 CO -0.01 0.41 -0.19 -0.63 0.00 0.00 0.00 174.94 174.52 1bs6 s ILE 58 N 0.56 1.56 -0.06 2.92 1.01 -0.01 -1.02 121.20 126.17 1bs6 s ILE 58 Ca -0.16 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1bs6 s ILE 58 Cb -0.16 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1bs6 s ILE 58 CO 0.05 0.45 -0.14 0.68 0.00 0.00 0.00 174.94 175.98 1bs6 s VAL 59 N -0.01 3.07 0.03 2.92 -7.23 -0.39 -1.63 120.40 117.14 1bs6 s VAL 59 Ca -0.04 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1bs6 s VAL 59 Cb -0.12 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1bs6 s VAL 59 CO 0.02 0.58 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.69 1bs6 s ILE 60 N -0.60 0.54 -0.24 -0.62 1.01 0.35 -0.94 121.20 120.69 1bs6 s ILE 60 Ca 0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1bs6 s ILE 60 Cb -0.11 -0.55 0.13 0.00 0.01 0.00 0.00 42.46 41.94 1bs6 s ILE 60 CO 0.01 -0.18 0.45 -0.62 0.00 0.00 0.00 174.94 174.60 1bs6 s ASP 61 N -1.04 -0.30 0.00 3.58 2.15 -0.43 0.16 116.67 120.79 1bs6 s ASP 61 Ca -0.05 0.68 0.24 0.00 0.43 0.00 0.00 52.55 53.85 1bs6 s ASP 61 Cb -0.07 1.46 0.35 0.00 -0.30 0.00 0.00 42.92 44.36 1bs6 s ASP 61 CO 0.00 -0.27 1.31 1.33 -0.17 0.00 0.00 175.17 177.38 1bs6 n VAL 62 N 5.39 0.00 -1.54 1.11 0.24 -1.26 -4.60 118.33 117.67 1bs6 n VAL 62 Ca -0.05 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.34 61.79 1bs6 n VAL 62 Cb 0.50 0.72 0.06 0.00 -1.47 0.00 0.00 33.84 33.66 1bs6 n VAL 62 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs6 s SER 63 N -2.63 4.91 -0.01 -1.34 1.04 -1.26 -4.98 113.70 109.42 1bs6 s SER 63 Ca 0.18 1.88 -0.21 0.00 0.48 0.00 0.00 55.95 58.29 1bs6 s SER 63 Cb 0.18 -2.53 -0.25 0.00 0.10 0.00 0.00 66.02 63.52 1bs6 s SER 63 CO 0.61 -1.76 1.06 -0.08 0.98 0.00 0.00 173.24 174.04 1bs6 h GLU 64 N -0.51 0.36 -1.93 4.02 4.81 -1.98 -3.39 114.58 115.96 1bs6 h GLU 64 Ca -0.45 -0.42 -0.55 0.00 -0.13 0.00 0.00 59.36 57.81 1bs6 h GLU 64 Cb 1.23 0.12 -0.42 0.00 0.63 0.00 0.00 28.75 30.32 1bs6 h GLU 64 CO 0.53 1.10 -0.80 0.09 -0.73 0.00 0.00 179.01 179.21 1bs6 n ASN 65 N -4.24 3.74 -4.15 1.04 3.02 -1.26 -4.96 115.26 108.45 1bs6 n ASN 65 Ca -0.11 -3.51 -0.35 0.00 -0.03 0.00 0.00 54.58 50.58 1bs6 n ASN 65 Cb 0.67 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1bs6 n ASN 65 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bs6 n ARG 66 N -0.21 -2.34 0.05 3.52 3.00 -1.26 -4.77 116.66 114.65 1bs6 n ARG 66 Ca 0.30 0.28 -0.21 0.00 -0.01 0.00 0.00 57.85 58.22 1bs6 n ARG 66 Cb 0.54 -4.95 -0.15 0.00 0.00 0.00 0.00 32.46 27.90 1bs6 n ARG 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1bs6 h ASP 67 N -1.14 0.52 -2.26 0.55 3.32 -1.92 -3.42 116.42 112.07 1bs6 h ASP 67 Ca -0.54 -0.84 -0.59 0.00 0.02 0.00 0.00 57.03 55.08 1bs6 h ASP 67 Cb 1.35 -0.17 -0.42 0.00 0.22 0.00 0.00 39.33 40.32 1bs6 h ASP 67 CO 0.75 1.72 -0.63 -0.62 -1.72 0.00 0.00 179.24 178.74 1bs6 n GLU 68 N -3.53 3.01 -1.84 3.56 -0.58 -1.26 -5.05 120.64 114.95 1bs6 n GLU 68 Ca -0.25 -4.79 -0.41 0.00 -0.42 0.00 0.00 57.16 51.30 1bs6 n GLU 68 Cb 1.06 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1bs6 n GLU 68 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1bs6 s ARG 69 N -3.18 4.00 -0.05 3.49 0.52 -1.26 -4.21 118.95 118.26 1bs6 s ARG 69 Ca 0.46 2.48 0.03 0.00 -0.52 0.00 0.00 55.73 58.18 1bs6 s ARG 69 Cb 0.24 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.84 1bs6 s ARG 69 CO -0.10 -0.59 -0.14 -1.17 0.02 0.00 0.00 175.30 173.32 1bs6 s LEU 70 N -2.27 1.80 -0.18 2.53 2.96 0.42 -4.98 118.68 118.95 1bs6 s LEU 70 Ca 0.55 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1bs6 s LEU 70 Cb -0.45 -0.84 0.04 0.00 0.50 0.00 0.00 46.19 45.44 1bs6 s LEU 70 CO 0.60 0.10 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.94 1bs6 s VAL 71 N 0.28 1.48 -0.24 1.68 1.01 -1.26 -0.50 120.40 122.85 1bs6 s VAL 71 Ca -0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1bs6 s VAL 71 Cb -0.12 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1bs6 s VAL 71 CO 0.02 0.21 -0.08 -0.76 0.00 0.00 0.00 175.10 174.50 1bs6 s LEU 72 N 1.48 3.02 -0.05 3.92 1.43 -0.65 -4.26 118.68 123.56 1bs6 s LEU 72 Ca 0.00 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 1bs6 s LEU 72 Cb -0.15 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1bs6 s LEU 72 CO -0.08 -0.10 -0.19 -0.63 0.23 0.00 0.00 176.35 175.58 1bs6 s ILE 73 N 1.33 2.67 -1.36 -0.59 1.01 -0.31 -0.83 121.20 123.12 1bs6 s ILE 73 Ca 0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1bs6 s ILE 73 Cb -0.16 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1bs6 s ILE 73 CO -0.05 0.58 0.41 0.59 0.00 0.00 0.00 174.94 176.47 1bs6 n ASN 74 N 2.55 -1.59 -4.75 3.58 3.02 0.45 -1.07 115.26 117.45 1bs6 n ASN 74 Ca -0.17 -1.16 -0.36 0.00 -0.03 0.00 0.00 54.58 52.86 1bs6 n ASN 74 Cb 0.52 -2.35 0.05 0.00 -0.61 0.00 0.00 39.78 37.39 1bs6 n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs6 s PRO 75 N -6.92 2.78 -0.11 3.52 0.04 -1.26 -4.53 135.00 128.51 1bs6 s PRO 75 Ca 0.19 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 1bs6 s PRO 75 Cb -0.09 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1bs6 s PRO 75 CO 0.94 -1.35 0.24 -2.00 0.04 0.00 0.00 177.00 174.87 1bs6 s GLU 76 N -3.46 0.17 -0.32 4.56 2.12 0.10 -4.99 118.70 116.87 1bs6 s GLU 76 Ca 0.77 0.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.43 1bs6 s GLU 76 Cb -0.31 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.00 1bs6 s GLU 76 CO 0.36 -0.22 1.06 -1.17 -0.54 0.00 0.00 175.26 174.75 1bs6 s LEU 77 N 1.81 3.94 -0.09 2.70 2.96 -1.26 -1.63 118.68 127.11 1bs6 s LEU 77 Ca -0.04 1.03 -0.08 0.00 -0.22 0.00 0.00 54.13 54.82 1bs6 s LEU 77 Cb -0.11 -3.52 -0.28 0.00 0.50 0.00 0.00 46.19 42.78 1bs6 s LEU 77 CO -0.08 -0.86 0.50 -0.07 -1.32 0.00 0.00 176.35 174.51 1bs6 h LEU 78 N 10.04 0.49 -7.00 -0.68 3.38 -0.60 -3.49 115.31 117.46 1bs6 h LEU 78 Ca -0.21 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 56.86 1bs6 h LEU 78 Cb 1.06 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1bs6 h LEU 78 CO 1.02 1.81 0.32 -1.83 0.09 0.00 0.00 178.44 179.86 1bs6 s GLU 79 N -2.57 1.04 0.06 1.13 -1.05 -1.04 -4.98 118.70 111.29 1bs6 s GLU 79 Ca -0.19 -0.24 -0.04 0.00 -0.15 0.00 0.00 54.97 54.35 1bs6 s GLU 79 Cb 0.06 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.21 1bs6 s GLU 79 CO 0.81 -0.43 0.06 -1.59 0.95 0.00 0.00 175.26 175.06 1bs6 s LYS 80 N -2.89 0.66 0.08 -4.83 -2.85 -1.26 -0.55 119.74 108.09 1bs6 s LYS 80 Ca -0.00 -1.01 -0.23 0.00 -1.00 0.00 0.00 55.97 53.73 1bs6 s LYS 80 Cb -0.01 0.25 0.06 0.00 -2.06 0.00 0.00 37.83 36.07 1bs6 s LYS 80 CO -0.07 -0.16 0.56 -1.54 0.10 0.00 0.00 175.35 174.25 1bs6 s SER 81 N -2.65 -0.50 0.00 0.03 1.04 -0.19 -4.97 113.70 106.47 1bs6 s SER 81 Ca 0.03 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1bs6 s SER 81 Cb 0.04 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1bs6 s SER 81 CO -0.09 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1bs6 n GLY 82 N 0.15 -0.80 3.32 7.32 0.00 -1.26 -0.92 105.19 112.99 1bs6 n GLY 82 Ca -0.18 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1bs6 n GLY 82 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs6 s GLU 83 N -1.02 0.51 0.04 1.61 1.03 -1.26 -3.42 118.70 116.19 1bs6 s GLU 83 Ca 0.00 0.56 -0.01 0.00 0.03 0.00 0.00 54.97 55.55 1bs6 s GLU 83 Cb 0.00 0.25 0.00 0.00 -0.80 0.00 0.00 34.13 33.58 1bs6 s GLU 83 CO 0.00 -0.07 0.06 0.25 -1.33 0.00 0.00 175.26 174.18 1bs6 n THR 84 N 2.77 0.00 0.00 1.83 -2.24 -0.11 -4.63 114.28 111.90 1bs6 n THR 84 Ca -0.14 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1bs6 n THR 84 Cb 0.57 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1bs6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bs6 n GLY 85 N -0.06 1.93 3.74 3.38 0.00 -1.26 -1.47 105.19 111.44 1bs6 n GLY 85 Ca -0.00 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1bs6 n GLY 85 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bs6 s ILE 86 N -0.46 1.70 -0.73 -0.61 -4.36 -1.26 -4.86 121.20 110.61 1bs6 s ILE 86 Ca 0.00 -1.87 -0.26 0.00 -0.26 0.00 0.00 60.65 58.26 1bs6 s ILE 86 Cb 0.00 -2.57 0.04 0.00 1.25 0.00 0.00 42.46 41.18 1bs6 s ILE 86 CO 0.00 0.00 1.23 -1.61 0.24 0.00 0.00 174.94 174.80 1bs6 s GLU 87 N -3.89 3.18 0.31 0.37 2.02 -1.26 -3.15 118.70 116.28 1bs6 s GLU 87 Ca 0.25 -0.34 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 1bs6 s GLU 87 Cb 0.04 -4.19 -0.09 0.00 0.10 0.00 0.00 34.13 29.99 1bs6 s GLU 87 CO 0.14 -2.10 1.01 -1.21 0.02 0.00 0.00 175.26 173.12 1bs6 s GLU 88 N 5.46 4.57 0.28 1.61 2.02 -0.25 -4.72 118.70 127.67 1bs6 s GLU 88 Ca 0.33 1.54 0.09 0.00 0.02 0.00 0.00 54.97 56.94 1bs6 s GLU 88 Cb -0.09 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1bs6 s GLU 88 CO 0.14 0.22 0.09 0.20 0.02 0.00 0.00 175.26 175.93 1bs6 s GLY 89 N -1.30 1.63 -0.04 -1.39 0.00 -1.26 -2.55 107.32 102.41 1bs6 s GLY 89 Ca 0.48 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1bs6 s GLY 89 CO 0.31 -1.65 -0.03 0.00 0.00 0.00 0.00 173.10 171.73 1bs6 h LEU 91 N 7.08 0.00 -0.08 0.00 4.07 -1.96 -1.39 115.31 123.03 1bs6 h LEU 91 Ca -0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1bs6 h LEU 91 Cb 1.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1bs6 h LEU 91 CO 0.48 0.00 -0.77 -1.20 -1.08 0.00 0.00 178.44 175.87 1bs6 n SER 92 N -3.04 0.89 -3.73 -0.43 7.64 -1.26 -4.45 113.62 109.24 1bs6 n SER 92 Ca -0.02 -0.77 -0.28 0.00 1.01 0.00 0.00 58.87 58.81 1bs6 n SER 92 Cb 0.11 0.69 -0.11 0.00 -1.01 0.00 0.00 64.21 63.89 1bs6 n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs6 n ILE 93 N -1.38 1.16 -2.03 0.44 5.41 -0.52 -1.49 119.36 120.95 1bs6 n ILE 93 Ca 0.05 -4.64 -0.42 0.00 1.00 0.00 0.00 62.75 58.74 1bs6 n ILE 93 Cb 0.34 -2.08 -0.03 0.00 -0.71 0.00 0.00 39.64 37.17 1bs6 n ILE 93 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1bs6 s PRO 94 N -1.33 4.16 -0.09 0.38 0.04 -1.25 -2.72 135.00 134.19 1bs6 s PRO 94 Ca 0.29 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1bs6 s PRO 94 Cb 0.00 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1bs6 s PRO 94 CO -0.15 -0.87 0.00 0.39 0.04 0.00 0.00 177.00 176.40 1bs6 n GLU 95 N 7.14 -0.17 -4.04 4.56 1.02 -1.26 -4.84 120.64 123.05 1bs6 n GLU 95 Ca 0.17 0.27 -0.35 0.00 -0.02 0.00 0.00 57.16 57.23 1bs6 n GLU 95 Cb 0.43 -3.60 -0.14 0.00 -0.02 0.00 0.00 31.44 28.11 1bs6 n GLU 95 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1bs6 s GLN 96 N -1.02 3.35 -0.01 3.49 2.00 -1.10 -5.10 119.66 121.26 1bs6 s GLN 96 Ca 0.00 -0.65 0.06 0.00 -2.00 0.00 0.00 55.36 52.77 1bs6 s GLN 96 Cb 0.00 -2.92 -0.02 0.00 0.80 0.00 0.00 33.01 30.87 1bs6 s GLN 96 CO 0.00 -0.14 -0.20 1.03 -0.50 0.00 0.00 175.29 175.48 1bs6 s ARG 97 N 1.30 1.57 -0.06 1.67 0.52 -1.26 -4.21 118.95 118.48 1bs6 s ARG 97 Ca 0.04 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.42 1bs6 s ARG 97 Cb -0.14 -1.53 0.02 0.00 0.52 0.00 0.00 34.95 33.82 1bs6 s ARG 97 CO -0.03 0.42 0.26 0.00 0.02 0.00 0.00 175.30 175.97 1bs6 s ALA 98 N -0.49 -0.65 0.20 2.13 0.00 -1.06 -4.88 121.76 117.01 1bs6 s ALA 98 Ca 0.07 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1bs6 s ALA 98 Cb -0.08 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.73 1bs6 s ALA 98 CO -0.01 -0.18 1.38 -1.17 0.00 0.00 0.00 175.76 175.79 1bs6 s LEU 99 N -0.49 4.40 -0.02 0.00 0.20 -1.26 -1.09 118.68 120.42 1bs6 s LEU 99 Ca -0.06 2.49 0.02 0.00 0.69 0.00 0.00 54.13 57.27 1bs6 s LEU 99 Cb -0.04 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1bs6 s LEU 99 CO 0.02 -0.62 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.70 1bs6 s VAL 100 N 0.28 0.55 0.10 1.68 1.01 -1.19 -4.95 120.40 117.88 1bs6 s VAL 100 Ca 0.59 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1bs6 s VAL 100 Cb -0.39 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 1bs6 s VAL 100 CO 0.38 0.18 1.40 -2.84 0.00 0.00 0.00 175.10 174.22 1bs6 s PRO 101 N 0.19 4.31 0.12 2.72 0.02 -1.26 -4.15 135.00 136.95 1bs6 s PRO 101 Ca -0.02 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.08 1bs6 s PRO 101 Cb -0.07 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 1bs6 s PRO 101 CO -0.00 -0.46 -0.01 1.03 -0.33 0.00 0.00 177.00 177.23 1bs6 s ARG 102 N 1.26 0.91 0.41 5.54 1.81 -0.54 -4.98 118.95 123.35 1bs6 s ARG 102 Ca 0.65 -1.41 -0.24 0.00 -1.72 0.00 0.00 55.73 53.01 1bs6 s ARG 102 Cb -0.36 -0.05 -0.08 0.00 -0.45 0.00 0.00 34.95 34.00 1bs6 s ARG 102 CO 0.30 -0.13 1.12 0.00 -0.68 0.00 0.00 175.30 175.91 1bs6 s ALA 103 N -3.79 3.08 0.03 2.13 0.00 -1.26 -0.93 121.76 121.03 1bs6 s ALA 103 Ca 0.18 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 1bs6 s ALA 103 Cb 0.07 -3.33 -0.34 0.00 0.00 0.00 0.00 23.12 19.52 1bs6 s ALA 103 CO -0.01 -0.42 1.01 1.49 0.00 0.00 0.00 175.76 177.82 1bs6 h GLU 104 N 2.45 0.46 -6.26 0.00 4.81 -1.35 -3.42 114.58 111.27 1bs6 h GLU 104 Ca -0.49 -0.79 -0.58 0.00 -0.13 0.00 0.00 59.36 57.38 1bs6 h GLU 104 Cb 1.23 0.29 -0.20 0.00 0.63 0.00 0.00 28.75 30.71 1bs6 h GLU 104 CO 0.62 1.37 -0.81 0.15 -0.73 0.00 0.00 179.01 179.61 1bs6 s LYS 105 N -2.61 1.29 -0.19 1.92 1.02 -0.09 -3.59 119.74 117.49 1bs6 s LYS 105 Ca -0.08 -1.35 -0.14 0.00 0.02 0.00 0.00 55.97 54.42 1bs6 s LYS 105 Cb 0.05 -1.52 0.06 0.00 -0.52 0.00 0.00 37.83 35.89 1bs6 s LYS 105 CO 0.92 0.33 0.48 0.08 -0.92 0.00 0.00 175.35 176.25 1bs6 s VAL 106 N -1.58 -0.01 -0.15 3.17 1.01 -0.90 -1.02 120.40 120.91 1bs6 s VAL 106 Ca 0.14 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1bs6 s VAL 106 Cb -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1bs6 s VAL 106 CO 0.06 0.01 -0.21 -0.75 0.00 0.00 0.00 175.10 174.22 1bs6 s LYS 107 N 0.86 3.03 0.34 2.72 2.47 0.28 -0.36 119.74 129.08 1bs6 s LYS 107 Ca -0.05 -0.84 0.08 0.00 -1.56 0.00 0.00 55.97 53.60 1bs6 s LYS 107 Cb -0.06 -2.49 -0.07 0.00 -1.46 0.00 0.00 37.83 33.76 1bs6 s LYS 107 CO -0.07 -0.06 -0.05 0.96 0.16 0.00 0.00 175.35 176.28 1bs6 s ILE 108 N 0.94 1.96 -0.06 5.43 -4.36 0.47 0.20 121.20 125.77 1bs6 s ILE 108 Ca -0.04 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.24 1bs6 s ILE 108 Cb -0.15 -2.68 0.02 0.00 1.25 0.00 0.00 42.46 40.90 1bs6 s ILE 108 CO -0.05 -0.17 -0.11 -0.60 0.24 0.00 0.00 174.94 174.26 1bs6 s ARG 109 N -3.68 1.54 0.36 0.37 3.52 -0.65 -0.93 118.95 119.49 1bs6 s ARG 109 Ca 0.33 -0.35 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1bs6 s ARG 109 Cb 0.05 -1.31 0.01 0.00 -1.56 0.00 0.00 34.95 32.14 1bs6 s ARG 109 CO 0.16 -0.00 0.53 0.00 -0.81 0.00 0.00 175.30 175.17 1bs6 n ALA 110 N 3.89 -0.48 -2.73 6.12 0.00 -0.62 -0.72 120.51 125.97 1bs6 n ALA 110 Ca -0.23 -1.62 -0.31 0.00 0.00 0.00 0.00 53.44 51.28 1bs6 n ALA 110 Cb 0.51 1.31 -0.08 0.00 0.00 0.00 0.00 19.45 21.20 1bs6 n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bs6 s LEU 111 N 0.00 3.64 0.00 0.00 1.43 -0.23 -0.55 118.68 122.97 1bs6 s LEU 111 Ca 0.28 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1bs6 s LEU 111 Cb -0.01 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1bs6 s LEU 111 CO 0.20 0.21 0.01 -0.90 0.23 0.00 0.00 176.35 176.11 1bs6 n ASP 112 N 0.80 0.02 0.27 2.29 5.68 0.46 -1.17 116.55 124.90 1bs6 n ASP 112 Ca -0.11 -1.01 0.12 0.00 -0.50 0.00 0.00 54.79 53.28 1bs6 n ASP 112 Cb 0.52 -0.01 0.77 0.00 -1.14 0.00 0.00 41.12 41.26 1bs6 n ASP 112 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1bs6 h ARG 113 N 0.00 0.00 -0.52 0.11 0.11 -1.89 0.16 114.38 112.35 1bs6 h ARG 113 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bs6 h ARG 113 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1bs6 h ARG 113 CO 0.00 0.06 0.00 -0.25 0.10 0.00 0.00 179.97 179.89 1bs6 n ASP 114 N -3.94 2.80 -1.41 0.08 8.00 -1.26 -4.86 116.55 115.96 1bs6 n ASP 114 Ca -0.03 -2.05 -0.16 0.00 0.71 0.00 0.00 54.79 53.26 1bs6 n ASP 114 Cb 0.15 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 40.84 1bs6 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs6 n GLY 115 N 1.22 1.16 3.86 0.44 0.00 0.56 -4.99 105.19 107.43 1bs6 n GLY 115 Ca 0.17 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1bs6 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs6 s LYS 116 N -3.74 3.70 0.30 1.61 1.02 -1.26 -4.78 119.74 116.58 1bs6 s LYS 116 Ca 0.00 0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.87 1bs6 s LYS 116 Cb 0.00 -3.21 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1bs6 s LYS 116 CO 0.00 0.73 0.97 -1.25 -0.92 0.00 0.00 175.35 174.87 1bs6 s PRO 117 N -1.03 4.63 0.08 -1.68 0.04 -1.26 -0.40 135.00 135.38 1bs6 s PRO 117 Ca 0.19 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 1bs6 s PRO 117 Cb -0.14 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1bs6 s PRO 117 CO 0.09 0.30 0.11 -0.59 0.04 0.00 0.00 177.00 176.95 1bs6 s PHE 118 N -1.45 0.36 0.12 0.56 -0.71 0.29 -4.92 117.98 112.23 1bs6 s PHE 118 Ca 0.48 -0.83 0.08 0.00 -1.04 0.00 0.00 56.93 55.62 1bs6 s PHE 118 Cb -0.22 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1bs6 s PHE 118 CO 0.28 -0.50 -0.12 -1.21 -1.34 0.00 0.00 175.22 172.34 1bs6 s GLU 119 N -3.91 2.03 -0.17 1.99 2.02 -1.26 -1.59 118.70 117.82 1bs6 s GLU 119 Ca 0.08 -1.10 -0.05 0.00 0.02 0.00 0.00 54.97 53.92 1bs6 s GLU 119 Cb 0.06 -2.24 0.08 0.00 0.10 0.00 0.00 34.13 32.14 1bs6 s GLU 119 CO -0.09 0.49 0.30 -1.17 0.02 0.00 0.00 175.26 174.81 1bs6 s LEU 120 N -2.31 -0.38 -0.22 1.80 2.96 -0.10 -5.00 118.68 115.42 1bs6 s LEU 120 Ca 0.21 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.47 1bs6 s LEU 120 Cb -0.11 0.82 -0.05 0.00 0.50 0.00 0.00 46.19 47.36 1bs6 s LEU 120 CO 0.13 -0.26 0.19 -1.61 -1.32 0.00 0.00 176.35 173.48 1bs6 s GLU 121 N 2.46 4.11 0.07 1.98 2.02 -1.26 -0.40 118.70 127.68 1bs6 s GLU 121 Ca 0.04 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.90 1bs6 s GLU 121 Cb -0.13 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 1bs6 s GLU 121 CO -0.11 0.10 -0.17 0.00 0.02 0.00 0.00 175.26 175.10 1bs6 s ALA 122 N 0.94 1.44 0.07 5.21 0.00 0.51 -5.01 121.76 124.92 1bs6 s ALA 122 Ca 0.09 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1bs6 s ALA 122 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1bs6 s ALA 122 CO 0.04 0.27 0.06 -0.40 0.00 0.00 0.00 175.76 175.72 1bs6 n ASP 123 N 1.46 -0.10 0.00 0.00 5.68 -1.26 -2.13 116.55 120.20 1bs6 n ASP 123 Ca -0.19 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1bs6 n ASP 123 Cb 0.54 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 1bs6 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs6 n GLY 124 N -0.06 1.53 0.33 6.12 0.00 -1.24 -2.58 105.19 109.29 1bs6 n GLY 124 Ca 0.01 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.57 1bs6 n GLY 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs6 h LEU 125 N 0.00 0.68 -0.32 0.99 6.46 -2.00 -2.56 115.31 118.56 1bs6 h LEU 125 Ca 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1bs6 h LEU 125 Cb 0.00 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1bs6 h LEU 125 CO 0.00 0.29 0.21 0.25 -0.62 0.00 0.00 178.44 178.56 1bs6 h LEU 126 N 0.73 0.37 -0.78 2.25 6.46 -1.92 -0.27 115.31 122.15 1bs6 h LEU 126 Ca 0.50 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.27 1bs6 h LEU 126 Cb 0.70 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.49 1bs6 h LEU 126 CO -0.35 0.28 0.50 0.00 -0.62 0.00 0.00 178.44 178.25 1bs6 h ALA 127 N 1.10 1.02 -0.50 1.25 0.00 -1.19 -0.26 119.26 120.68 1bs6 h ALA 127 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1bs6 h ALA 127 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1bs6 h ALA 127 CO -0.02 0.32 -0.17 0.82 0.00 0.00 0.00 179.25 180.19 1bs6 h ILE 128 N 0.98 1.27 -0.35 0.00 2.04 -1.29 -2.72 117.51 117.45 1bs6 h ILE 128 Ca 0.31 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1bs6 h ILE 128 Cb -0.01 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1bs6 h ILE 128 CO -0.10 0.46 0.05 0.00 0.00 0.00 0.00 178.15 178.56 1bs6 h ILE 130 N 0.41 0.86 -0.63 0.00 2.04 -1.02 -1.76 117.51 117.41 1bs6 h ILE 130 Ca 0.10 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1bs6 h ILE 130 Cb 0.37 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1bs6 h ILE 130 CO 0.01 0.02 0.36 1.56 0.00 0.00 0.00 178.15 180.10 1bs6 h GLN 131 N 0.12 0.67 -0.87 2.37 4.20 -1.41 0.75 115.11 120.94 1bs6 h GLN 131 Ca 0.12 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1bs6 h GLN 131 Cb 0.13 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1bs6 h GLN 131 CO -0.17 0.44 0.51 1.25 -0.67 0.00 0.00 178.83 180.20 1bs6 h HIS 132 N 0.69 1.17 0.22 2.96 2.76 -0.87 -1.73 115.15 120.34 1bs6 h HIS 132 Ca 0.27 -0.01 -0.33 0.00 -2.20 0.00 0.00 60.37 58.10 1bs6 h HIS 132 Cb 0.11 -0.38 0.04 0.00 1.55 0.00 0.00 27.41 28.73 1bs6 h HIS 132 CO -0.07 0.79 -1.41 0.93 -1.30 0.00 0.00 177.93 176.86 1bs6 h GLU 133 N 1.21 0.57 -0.38 5.26 4.39 -0.78 -3.14 114.58 121.70 1bs6 h GLU 133 Ca 0.31 -0.90 -0.03 0.00 0.34 0.00 0.00 59.36 59.09 1bs6 h GLU 133 Cb -0.03 0.32 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1bs6 h GLU 133 CO -0.06 1.42 0.12 0.52 -1.16 0.00 0.00 179.01 179.86 1bs6 h MET 134 N 0.19 0.55 -0.70 2.33 2.86 -0.72 -1.24 114.93 118.20 1bs6 h MET 134 Ca -0.24 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1bs6 h MET 134 Cb 2.10 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.61 1bs6 h MET 134 CO 0.27 0.48 0.41 -0.44 1.06 0.00 0.00 176.91 178.69 1bs6 h ASP 135 N 0.54 0.63 -0.86 1.22 5.19 -1.34 -2.52 116.42 119.28 1bs6 h ASP 135 Ca 0.13 0.02 0.13 0.00 -0.62 0.00 0.00 57.03 56.69 1bs6 h ASP 135 Cb 0.17 -0.11 -0.09 0.00 0.18 0.00 0.00 39.33 39.48 1bs6 h ASP 135 CO -0.01 0.41 0.48 0.45 -3.12 0.00 0.00 179.24 177.45 1bs6 h HIS 136 N 0.76 0.85 0.00 4.55 3.86 -1.17 -0.25 115.15 123.75 1bs6 h HIS 136 Ca 0.30 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1bs6 h HIS 136 Cb 0.15 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1bs6 h HIS 136 CO -0.06 0.27 0.00 -0.07 0.86 0.00 0.00 177.93 178.92 1bs6 h LEU 137 N 0.72 0.00 -3.15 2.43 3.38 -1.39 -1.37 115.31 115.94 1bs6 h LEU 137 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1bs6 h LEU 137 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1bs6 h LEU 137 CO -0.32 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.54 1bs6 n VAL 138 N -2.59 1.95 -1.30 1.22 0.24 -0.89 -0.62 118.33 116.33 1bs6 n VAL 138 Ca -0.00 -1.72 -0.04 0.00 -2.04 0.00 0.00 64.34 60.53 1bs6 n VAL 138 Cb 0.16 -0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.44 1bs6 n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs6 n GLY 139 N -0.42 0.60 3.89 7.63 0.00 -0.52 -4.68 105.19 111.69 1bs6 n GLY 139 Ca 0.18 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 1bs6 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs6 s LYS 140 N -2.70 3.50 0.29 1.61 1.02 -0.16 -4.57 119.74 118.74 1bs6 s LYS 140 Ca 0.00 -0.18 0.11 0.00 0.02 0.00 0.00 55.97 55.92 1bs6 s LYS 140 Cb 0.00 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1bs6 s LYS 140 CO 0.00 0.69 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.49 1bs6 s LEU 141 N -1.64 2.77 0.49 3.17 1.43 -1.26 -3.41 118.68 120.23 1bs6 s LEU 141 Ca 0.24 -0.98 0.26 0.00 -1.03 0.00 0.00 54.13 52.63 1bs6 s LEU 141 Cb -0.13 -1.23 1.20 0.00 0.03 0.00 0.00 46.19 46.06 1bs6 s LEU 141 CO 0.14 -0.04 1.95 2.19 0.23 0.00 0.00 176.35 180.82 1bs6 h PHE 142 N 2.10 0.00 0.00 0.29 -5.15 -1.99 -2.05 116.94 110.14 1bs6 h PHE 142 Ca -0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.36 1bs6 h PHE 142 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.43 1bs6 h PHE 142 CO 0.77 0.17 0.00 0.00 -2.00 0.00 0.00 178.31 177.24 1bs6 h MET 143 N 0.00 0.00 0.00 6.09 -0.00 -1.98 -1.97 114.93 117.07 1bs6 h MET 143 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1bs6 h MET 143 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 1bs6 h MET 143 CO 0.02 0.00 0.00 -0.44 -0.00 0.00 0.00 176.91 176.49 1bs6 h ASP 144 N 0.00 0.00 0.69 -0.10 3.32 -1.78 -2.03 116.42 116.53 1bs6 h ASP 144 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs6 h ASP 144 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1bs6 h ASP 144 CO 0.00 0.00 -0.26 -1.22 -1.72 0.00 0.00 179.24 176.04 1bs6 n TYR 145 N -2.94 0.00 -2.79 4.55 4.01 -0.74 -4.95 117.16 114.30 1bs6 n TYR 145 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1bs6 n TYR 145 Cb 0.23 -0.35 0.04 0.00 -0.31 0.00 0.00 39.34 38.96 1bs6 n TYR 145 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs6 s LEU 146 N -2.95 3.34 0.60 7.72 1.43 -0.76 -5.03 118.68 123.04 1bs6 s LEU 146 Ca 0.14 -0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1bs6 s LEU 146 Cb 0.18 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1bs6 s LEU 146 CO 0.61 -1.12 1.13 -0.94 0.23 0.00 0.00 176.35 176.26 1bs6 s SER 147 N -4.46 5.34 0.40 2.29 1.04 -1.26 -4.84 113.70 112.21 1bs6 s SER 147 Ca 0.58 2.14 0.20 0.00 0.48 0.00 0.00 55.95 59.35 1bs6 s SER 147 Cb -0.09 -2.57 1.17 0.00 0.10 0.00 0.00 66.02 64.63 1bs6 s SER 147 CO 0.37 -1.48 1.72 -0.65 0.98 0.00 0.00 173.24 174.18 1bs6 h PRO 148 N 0.62 0.30 -0.22 4.02 0.11 -1.97 -0.30 132.00 134.57 1bs6 h PRO 148 Ca -0.49 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.40 1bs6 h PRO 148 Cb 1.26 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1bs6 h PRO 148 CO 0.55 0.20 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.82 1bs6 h LEU 149 N 0.31 0.96 -0.72 2.35 3.38 -1.98 0.53 115.31 120.15 1bs6 h LEU 149 Ca 0.67 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1bs6 h LEU 149 Cb 1.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1bs6 h LEU 149 CO -0.38 1.37 -0.26 0.11 0.09 0.00 0.00 178.44 179.38 1bs6 h LYS 150 N 0.59 0.71 0.24 1.13 1.79 -1.55 0.33 116.57 119.81 1bs6 h LYS 150 Ca -0.02 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.14 1bs6 h LYS 150 Cb 1.28 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1bs6 h LYS 150 CO 0.14 0.89 -0.11 1.96 -1.08 0.00 0.00 179.45 181.25 1bs6 h GLN 151 N 0.61 -0.31 -0.59 3.15 4.20 -1.00 0.19 115.11 121.37 1bs6 h GLN 151 Ca 0.08 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.93 1bs6 h GLN 151 Cb 0.75 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 28.49 1bs6 h GLN 151 CO 0.06 0.03 -0.19 0.37 -0.67 0.00 0.00 178.83 178.43 1bs6 h GLN 152 N -0.69 -0.04 -0.65 1.46 4.15 -0.89 0.58 115.11 119.02 1bs6 h GLN 152 Ca -0.03 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1bs6 h GLN 152 Cb 0.48 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 1bs6 h GLN 152 CO 0.05 -0.03 0.09 -0.09 -1.93 0.00 0.00 178.83 176.93 1bs6 h ARG 153 N -0.04 1.08 0.09 1.69 9.65 -0.32 -3.13 114.38 123.40 1bs6 h ARG 153 Ca 0.28 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1bs6 h ARG 153 Cb 0.47 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1bs6 h ARG 153 CO -0.63 1.00 -0.04 0.82 2.80 0.00 0.00 179.97 183.92 1bs6 h ILE 154 N 1.01 1.04 -0.60 1.20 2.04 -0.47 -3.30 117.51 118.44 1bs6 h ILE 154 Ca 0.20 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1bs6 h ILE 154 Cb 0.45 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1bs6 h ILE 154 CO 0.02 0.12 0.36 0.03 0.00 0.00 0.00 178.15 178.68 1bs6 h ARG 155 N -0.34 0.69 -0.64 2.37 3.08 -0.83 -1.81 114.38 116.90 1bs6 h ARG 155 Ca -0.01 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1bs6 h ARG 155 Cb 0.29 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.09 1bs6 h ARG 155 CO 0.02 0.46 -0.57 1.96 -1.07 0.00 0.00 179.97 180.77 1bs6 h GLN 156 N 0.71 -0.23 -0.39 0.04 4.20 -1.65 -2.74 115.11 115.05 1bs6 h GLN 156 Ca 0.24 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1bs6 h GLN 156 Cb 0.03 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 1bs6 h GLN 156 CO -0.10 -0.15 -0.31 0.87 -0.67 0.00 0.00 178.83 178.46 1bs6 h LYS 157 N -0.24 -0.10 -0.94 1.46 1.57 -1.41 -2.63 116.57 114.29 1bs6 h LYS 157 Ca 0.11 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1bs6 h LYS 157 Cb 0.52 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1bs6 h LYS 157 CO -0.73 -0.06 0.62 0.28 -0.57 0.00 0.00 179.45 178.98 1bs6 h VAL 158 N -0.10 1.17 -0.54 0.50 2.07 -1.37 -1.53 116.25 116.45 1bs6 h VAL 158 Ca 0.06 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1bs6 h VAL 158 Cb 0.27 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1bs6 h VAL 158 CO -0.42 0.22 0.19 -0.33 0.02 0.00 0.00 177.57 177.24 1bs6 h GLU 159 N 1.19 0.82 -0.13 1.57 5.08 -1.35 -0.64 114.58 121.12 1bs6 h GLU 159 Ca 0.37 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1bs6 h GLU 159 Cb -0.01 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1bs6 h GLU 159 CO -0.11 0.74 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.27 1bs6 h LYS 160 N 0.73 -0.18 -0.16 2.33 3.64 -1.22 0.55 116.57 122.26 1bs6 h LYS 160 Ca 0.17 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1bs6 h LYS 160 Cb 0.25 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1bs6 h LYS 160 CO -0.01 -0.12 -0.35 1.25 -2.27 0.00 0.00 179.45 177.95 1bs6 h LEU 161 N -0.19 -1.11 -1.71 5.20 6.46 -0.82 0.81 115.31 123.95 1bs6 h LEU 161 Ca 0.09 0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1bs6 h LEU 161 Cb 0.33 0.47 -0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1bs6 h LEU 161 CO -0.24 -0.38 -0.00 0.44 -0.62 0.00 0.00 178.44 177.64 1bs6 h ASP 162 N -0.41 0.00 0.82 1.25 3.32 -1.01 0.20 116.42 120.59 1bs6 h ASP 162 Ca 0.10 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.91 1bs6 h ASP 162 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1bs6 h ASP 162 CO -0.39 0.00 -1.13 -0.09 -1.72 0.00 0.00 179.24 175.92 1bs6 h ARG 163 N 0.00 0.12 0.16 3.56 2.43 0.18 0.52 114.38 121.36 1bs6 h ARG 163 Ca -0.00 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1bs6 h ARG 163 Cb 0.43 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1bs6 h ARG 163 CO 0.00 1.09 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.40 1bs6 h LEU 164 N 0.03 -0.18 0.26 3.80 4.07 0.14 -3.36 115.31 120.06 1bs6 h LEU 164 Ca -0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1bs6 h LEU 164 Cb 1.87 0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.64 1bs6 h LEU 164 CO 0.16 -0.12 -0.21 0.50 -1.08 0.00 0.00 178.44 177.70 1bs6 h LYS 165 N -0.23 -0.46 -6.26 1.13 3.64 0.30 -2.89 116.57 111.81 1bs6 h LYS 165 Ca -0.02 0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.83 1bs6 h LYS 165 Cb 0.18 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1bs6 h LYS 165 CO 0.04 -0.30 0.65 0.00 -2.27 0.00 0.00 179.45 177.57 1bs6 s ALA 166 N -6.10 3.48 0.20 5.00 0.00 0.44 -4.64 121.76 120.14 1bs6 s ALA 166 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1bs6 s ALA 166 Cb 0.06 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1bs6 s ALA 166 CO 0.64 -0.73 0.00 -2.13 0.00 0.00 0.00 175.76 173.54 1bs6 n ARG 167 N 5.28 0.00 0.00 0.00 0.00 -1.09 -4.71 116.66 116.13 1bs6 n ARG 167 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1bs6 n ARG 167 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1bs6 n ARG 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63