#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugs s GLU 3 N 0.00 4.40 -0.20 -2.82 2.12 -1.26 -5.01 118.70 115.93 1ugs s GLU 3 Ca 0.00 2.07 -0.04 0.00 0.36 0.00 0.00 54.97 57.35 1ugs s GLU 3 Cb 0.00 -3.06 0.08 0.00 0.26 0.00 0.00 34.13 31.41 1ugs s GLU 3 CO 0.00 -0.09 0.18 1.21 -0.54 0.00 0.00 175.26 176.01 1ugs s ASN 4 N -0.66 1.74 0.00 -1.70 3.84 -1.26 -5.02 114.94 111.88 1ugs s ASN 4 Ca 0.49 -0.38 0.09 0.00 0.21 0.00 0.00 52.86 53.27 1ugs s ASN 4 Cb -0.37 0.17 0.40 0.00 -0.55 0.00 0.00 41.25 40.90 1ugs s ASN 4 CO 0.48 -0.34 1.30 2.30 -2.79 0.00 0.00 177.10 178.05 1ugs n ILE 5 N 5.30 1.34 0.56 -5.21 -5.35 -1.26 -2.14 119.36 112.60 1ugs n ILE 5 Ca -0.06 0.33 0.12 0.00 -0.27 0.00 0.00 62.75 62.87 1ugs n ILE 5 Cb 0.49 -1.17 0.10 0.00 -1.74 0.00 0.00 39.64 37.31 1ugs n ILE 5 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ugs n LEU 6 N -1.49 0.65 -4.74 7.28 4.77 -1.26 -4.95 117.00 117.25 1ugs n LEU 6 Ca 0.02 0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.71 1ugs n LEU 6 Cb 0.11 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1ugs n LEU 6 CO 0.09 -0.01 0.63 -0.60 -1.33 0.00 0.00 177.39 176.17 1ugs s ARG 7 N -3.18 4.73 1.02 3.23 3.52 -0.91 -5.06 118.95 122.29 1ugs s ARG 7 Ca 0.05 1.41 -0.14 0.00 -0.13 0.00 0.00 55.73 56.92 1ugs s ARG 7 Cb 0.14 -3.33 0.20 0.00 -1.56 0.00 0.00 34.95 30.39 1ugs s ARG 7 CO 0.76 0.36 1.11 0.15 -0.81 0.00 0.00 175.30 176.87 1ugs s LYS 8 N -0.53 0.27 0.65 5.12 1.02 -1.26 -5.01 119.74 120.00 1ugs s LYS 8 Ca 0.43 0.33 -0.14 0.00 0.02 0.00 0.00 55.97 56.61 1ugs s LYS 8 Cb -0.24 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1ugs s LYS 8 CO 0.30 -2.80 1.07 -1.54 -0.92 0.00 0.00 175.35 171.46 1ugs s SER 9 N -3.69 5.42 0.36 2.83 1.04 -1.26 -4.85 113.70 113.56 1ugs s SER 9 Ca 0.66 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.91 1ugs s SER 9 Cb -0.16 -2.52 0.70 0.00 0.10 0.00 0.00 66.02 64.13 1ugs s SER 9 CO 0.56 -1.41 2.00 0.44 0.98 0.00 0.00 173.24 175.81 1ugs h ASP 10 N -0.15 0.68 -0.33 7.02 3.45 -1.99 -0.57 116.42 124.53 1ugs h ASP 10 Ca -0.45 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 56.98 1ugs h ASP 10 Cb 1.22 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.82 1ugs h ASP 10 CO 0.56 0.47 0.15 -0.08 -1.57 0.00 0.00 179.24 178.77 1ugs h GLU 11 N 0.79 0.49 -0.38 3.56 4.81 -1.99 0.44 114.58 122.30 1ugs h GLU 11 Ca 0.25 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1ugs h GLU 11 Cb 0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1ugs h GLU 11 CO -0.06 0.46 -0.22 0.93 -0.73 0.00 0.00 179.01 179.39 1ugs h GLU 12 N 0.40 0.75 -0.30 1.92 4.39 -1.78 -1.45 114.58 118.51 1ugs h GLU 12 Ca 0.11 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 1ugs h GLU 12 Cb 0.15 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1ugs h GLU 12 CO -0.01 0.91 0.12 0.82 -1.16 0.00 0.00 179.01 179.68 1ugs h ILE 13 N 0.66 1.18 -0.73 3.13 2.04 -0.86 -1.89 117.51 121.03 1ugs h ILE 13 Ca 0.09 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1ugs h ILE 13 Cb 0.72 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1ugs h ILE 13 CO 0.06 0.18 0.23 1.56 0.00 0.00 0.00 178.15 180.18 1ugs h GLN 14 N 0.33 1.13 -0.70 2.37 1.08 -0.76 -1.70 115.11 116.87 1ugs h GLN 14 Ca 0.10 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1ugs h GLN 14 Cb 0.18 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1ugs h GLN 14 CO -0.01 0.96 0.24 -0.22 -0.95 0.00 0.00 178.83 178.86 1ugs h LYS 15 N 1.09 1.07 -0.13 1.46 3.64 -1.06 -1.16 116.57 121.48 1ugs h LYS 15 Ca 0.24 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1ugs h LYS 15 Cb 0.30 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ugs h LYS 15 CO -0.01 0.91 -0.03 1.49 -2.27 0.00 0.00 179.45 179.54 1ugs h GLU 16 N 1.01 0.24 -0.39 1.90 4.57 -1.16 -2.87 114.58 117.89 1ugs h GLU 16 Ca 0.23 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1ugs h GLU 16 Cb 0.26 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1ugs h GLU 16 CO -0.01 0.53 0.25 0.82 -1.18 0.00 0.00 179.01 179.42 1ugs h ILE 17 N -0.06 1.08 -0.64 2.32 2.04 -1.24 -1.39 117.51 119.61 1ugs h ILE 17 Ca 0.03 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.82 1ugs h ILE 17 Cb 0.44 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1ugs h ILE 17 CO 0.01 0.09 0.25 0.74 0.00 0.00 0.00 178.15 179.24 1ugs h THR 18 N 0.50 0.75 -0.38 -0.27 2.02 -1.21 0.22 112.91 114.55 1ugs h THR 18 Ca 0.15 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1ugs h THR 18 Cb -0.04 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1ugs h THR 18 CO -0.04 0.08 -0.08 0.00 0.37 0.00 0.00 175.52 175.84 1ugs h ALA 19 N 1.44 0.52 -0.74 6.16 0.00 -1.25 -0.81 119.26 124.58 1ugs h ALA 19 Ca 0.33 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ugs h ALA 19 Cb 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ugs h ALA 19 CO -0.32 0.37 0.23 0.00 0.00 0.00 0.00 179.25 179.53 1ugs h ARG 20 N 0.53 1.14 -0.29 0.00 3.08 -0.47 -1.21 114.38 117.16 1ugs h ARG 20 Ca 0.10 -0.24 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 1ugs h ARG 20 Cb 0.59 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1ugs h ARG 20 CO 0.04 0.97 -0.48 0.28 -1.07 0.00 0.00 179.97 179.71 1ugs h VAL 21 N 1.10 1.28 -0.29 2.04 2.07 -0.48 -1.78 116.25 120.18 1ugs h VAL 21 Ca 0.24 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 1ugs h VAL 21 Cb 0.30 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1ugs h VAL 21 CO -0.01 0.54 -0.17 0.50 0.02 0.00 0.00 177.57 178.46 1ugs h LYS 22 N 0.62 0.52 -0.03 1.57 3.64 -1.01 0.92 116.57 122.80 1ugs h LYS 22 Ca 0.02 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1ugs h LYS 22 Cb 1.08 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1ugs h LYS 22 CO 0.11 0.67 -0.00 0.00 -2.27 0.00 0.00 179.45 177.96 1ugs h ALA 23 N 1.35 0.04 -0.87 5.00 0.00 -1.14 -1.05 119.26 122.59 1ugs h ALA 23 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ugs h ALA 23 Cb 0.56 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1ugs h ALA 23 CO 0.04 -0.30 0.50 1.25 0.00 0.00 0.00 179.25 180.73 1ugs h LEU 24 N -0.25 1.07 -0.64 0.00 5.85 -1.10 -2.46 115.31 117.78 1ugs h LEU 24 Ca 0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ugs h LEU 24 Cb 0.32 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1ugs h LEU 24 CO 0.00 0.85 0.41 -0.08 -0.34 0.00 0.00 178.44 179.28 1ugs h GLU 25 N 1.21 0.86 -0.85 1.25 4.81 -0.69 -1.48 114.58 119.68 1ugs h GLU 25 Ca 0.31 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1ugs h GLU 25 Cb -0.00 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1ugs h GLU 25 CO -0.05 0.58 0.56 0.66 -0.73 0.00 0.00 179.01 180.03 1ugs h SER 26 N 0.87 0.95 -0.13 1.04 4.64 -0.74 -0.63 113.55 119.56 1ugs h SER 26 Ca 0.23 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1ugs h SER 26 Cb -0.07 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.79 1ugs h SER 26 CO -0.05 0.67 -0.17 0.24 -0.87 0.00 0.00 176.83 176.65 1ugs h MET 27 N 1.11 0.35 -0.17 4.77 2.86 -1.09 -1.96 114.93 120.79 1ugs h MET 27 Ca 0.32 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 1ugs h MET 27 Cb -0.06 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ugs h MET 27 CO -0.08 0.77 -0.03 -0.07 1.06 0.00 0.00 176.91 178.56 1ugs h LEU 28 N -0.05 0.23 -0.29 1.22 3.38 -1.01 -1.34 115.31 117.43 1ugs h LEU 28 Ca 0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1ugs h LEU 28 Cb 0.73 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1ugs h LEU 28 CO 0.04 0.30 -0.08 0.40 0.09 0.00 0.00 178.44 179.19 1ugs h ILE 29 N 0.24 1.28 0.00 1.22 2.04 -1.01 -2.66 117.51 118.63 1ugs h ILE 29 Ca 0.06 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 1ugs h ILE 29 Cb 0.22 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1ugs h ILE 29 CO 0.01 0.36 -0.18 -0.33 0.00 0.00 0.00 178.15 178.00 1ugs h GLU 30 N 0.33 0.00 0.00 2.37 5.08 -0.72 -0.77 114.58 120.87 1ugs h GLU 30 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ugs h GLU 30 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ugs h GLU 30 CO 0.03 0.18 0.00 1.04 -1.00 0.00 0.00 179.01 179.26 1ugs n GLN 31 N -3.90 0.17 -0.94 2.33 6.02 -0.57 -4.91 117.38 115.59 1ugs n GLN 31 Ca -0.02 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1ugs n GLN 31 Cb 0.27 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1ugs n GLN 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ugs n GLY 32 N 0.82 0.49 0.34 1.08 0.00 -0.30 -4.92 105.19 102.70 1ugs n GLY 32 Ca 0.05 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.76 1ugs n GLY 32 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ugs n ILE 33 N -2.94 0.00 -4.00 -0.61 -5.35 -1.03 -4.94 119.36 100.50 1ugs n ILE 33 Ca 0.00 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 1ugs n ILE 33 Cb 0.00 1.18 -0.14 0.00 -1.74 0.00 0.00 39.64 38.93 1ugs n ILE 33 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1ugs s LEU 34 N -2.25 1.91 0.12 7.28 2.96 -1.18 -5.01 118.68 122.52 1ugs s LEU 34 Ca 0.13 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1ugs s LEU 34 Cb 0.14 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.65 1ugs s LEU 34 CO 0.49 0.02 -0.01 0.42 -1.32 0.00 0.00 176.35 175.94 1ugs s THR 35 N 0.06 0.47 0.27 3.68 -4.23 -1.26 -4.16 115.64 110.47 1ugs s THR 35 Ca -0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1ugs s THR 35 Cb -0.02 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 72.00 1ugs s THR 35 CO -0.00 -0.67 1.70 0.71 -0.54 0.00 0.00 174.62 175.82 1ugs h THR 36 N 2.89 1.27 -0.27 3.99 1.35 -2.01 -2.49 112.91 117.63 1ugs h THR 36 Ca -0.35 -1.27 -0.10 0.00 -0.55 0.00 0.00 66.41 64.13 1ugs h THR 36 Cb 1.18 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1ugs h THR 36 CO 0.63 0.41 -0.27 0.77 -0.25 0.00 0.00 175.52 176.81 1ugs h SER 37 N 0.49 0.53 -0.41 5.36 4.64 -1.99 -0.96 113.55 121.21 1ugs h SER 37 Ca 0.07 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1ugs h SER 37 Cb 0.67 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1ugs h SER 37 CO 0.05 0.79 0.14 -0.03 -0.87 0.00 0.00 176.83 176.91 1ugs h MET 38 N 0.46 0.63 0.26 4.77 -1.53 -1.93 -0.33 114.93 117.27 1ugs h MET 38 Ca 0.06 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.19 1ugs h MET 38 Cb 0.71 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.66 1ugs h MET 38 CO 0.05 0.61 -0.16 0.82 0.14 0.00 0.00 176.91 178.38 1ugs h ILE 39 N 0.52 0.67 -0.75 1.77 2.04 -1.16 -1.97 117.51 118.63 1ugs h ILE 39 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1ugs h ILE 39 Cb 0.24 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1ugs h ILE 39 CO -0.01 0.00 0.50 0.44 0.00 0.00 0.00 178.15 179.08 1ugs h ASP 40 N -0.40 0.83 -0.18 1.72 3.32 -1.05 -1.95 116.42 118.71 1ugs h ASP 40 Ca -0.03 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1ugs h ASP 40 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ugs h ASP 40 CO 0.03 0.59 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.02 1ugs h ARG 41 N 0.97 0.34 -0.90 3.56 9.65 -0.83 -0.53 114.38 126.64 1ugs h ARG 41 Ca 0.29 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1ugs h ARG 41 Cb -0.04 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 1ugs h ARG 41 CO -0.07 0.59 0.57 0.52 2.80 0.00 0.00 179.97 184.38 1ugs h MET 42 N 0.06 1.20 -0.36 0.20 2.86 -1.13 -1.98 114.93 115.79 1ugs h MET 42 Ca 0.05 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1ugs h MET 42 Cb 0.46 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1ugs h MET 42 CO 0.02 0.82 -0.01 0.00 1.06 0.00 0.00 176.91 178.79 1ugs h ALA 43 N 1.31 0.48 -0.42 6.32 0.00 -1.24 -3.01 119.26 122.71 1ugs h ALA 43 Ca 0.33 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ugs h ALA 43 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ugs h ALA 43 CO -0.07 0.26 -0.03 1.05 0.00 0.00 0.00 179.25 180.47 1ugs h GLU 44 N 0.45 0.68 -0.40 0.00 4.11 -0.86 -1.20 114.58 117.36 1ugs h GLU 44 Ca 0.10 -0.18 0.02 0.00 0.07 0.00 0.00 59.36 59.37 1ugs h GLU 44 Cb 0.48 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1ugs h GLU 44 CO 0.02 0.72 0.24 0.82 0.07 0.00 0.00 179.01 180.88 1ugs h ILE 45 N 0.64 1.05 -0.01 -1.06 2.04 -1.27 -1.49 117.51 117.40 1ugs h ILE 45 Ca 0.13 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ugs h ILE 45 Cb 0.44 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1ugs h ILE 45 CO 0.02 0.09 -0.16 -1.22 0.00 0.00 0.00 178.15 176.88 1ugs n TYR 46 N -4.86 0.00 -0.05 1.37 4.02 -1.12 -0.41 117.16 116.12 1ugs n TYR 46 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1ugs n TYR 46 Cb 0.05 -0.06 -0.15 0.00 -0.02 0.00 0.00 39.34 39.16 1ugs n TYR 46 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ugs n GLU 47 N -0.22 0.67 0.00 -0.72 1.02 -0.47 -4.73 120.64 116.19 1ugs n GLU 47 Ca 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1ugs n GLU 47 Cb 0.37 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1ugs n GLU 47 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ugs n ASN 48 N -2.56 1.18 -0.11 1.62 3.02 -0.58 -4.98 115.26 112.85 1ugs n ASN 48 Ca -0.18 -0.03 -0.21 0.00 -0.03 0.00 0.00 54.58 54.13 1ugs n ASN 48 Cb 0.87 0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 40.26 1ugs n ASN 48 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ugs n GLU 49 N -0.41 0.50 -3.49 3.52 1.02 -0.08 -4.94 120.64 116.76 1ugs n GLU 49 Ca 0.00 0.22 -0.40 0.00 -0.02 0.00 0.00 57.16 56.95 1ugs n GLU 49 Cb 0.00 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 1ugs n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ugs s VAL 50 N -2.54 5.25 0.38 2.62 1.01 0.45 -4.99 120.40 122.58 1ugs s VAL 50 Ca -0.32 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1ugs s VAL 50 Cb 0.10 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1ugs s VAL 50 CO 0.41 -0.02 0.64 -0.83 0.00 0.00 0.00 175.10 175.31 1ugs s GLY 51 N 1.73 1.04 0.00 4.51 0.00 -1.26 -4.48 107.32 108.85 1ugs s GLY 51 Ca 0.08 -1.21 0.07 0.00 0.00 0.00 0.00 44.72 43.66 1ugs s GLY 51 CO 0.11 -0.69 1.17 -1.55 0.00 0.00 0.00 173.10 172.14 1ugs n PRO 52 N -0.57 0.03 0.23 2.90 -0.04 -1.21 -1.75 135.00 134.60 1ugs n PRO 52 Ca -0.04 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 1ugs n PRO 52 Cb 0.61 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.10 1ugs n PRO 52 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1ugs h HIS 53 N 0.00 0.00 -0.18 0.54 2.07 -1.92 -1.86 115.15 113.79 1ugs h HIS 53 Ca 0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.40 1ugs h HIS 53 Cb 0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.08 1ugs h HIS 53 CO 0.00 0.21 -0.36 -0.07 -3.07 0.00 0.00 177.93 174.64 1ugs h LEU 54 N 0.00 0.63 -1.05 6.12 3.38 -1.53 -2.65 115.31 120.22 1ugs h LEU 54 Ca -0.00 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 1ugs h LEU 54 Cb 0.62 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1ugs h LEU 54 CO 0.03 1.06 0.39 1.23 0.09 0.00 0.00 178.44 181.25 1ugs h GLY 55 N 0.22 1.13 0.84 0.83 0.00 -0.79 -2.29 103.07 103.01 1ugs h GLY 55 Ca 0.01 -0.52 0.04 0.00 0.00 0.00 0.00 47.33 46.86 1ugs h GLY 55 CO 0.08 0.50 0.59 0.00 0.00 0.00 0.00 176.54 177.71 1ugs h ALA 56 N 1.37 1.22 -0.92 3.60 0.00 -1.23 -0.29 119.26 123.02 1ugs h ALA 56 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ugs h ALA 56 Cb 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1ugs h ALA 56 CO -0.04 0.42 0.57 0.87 0.00 0.00 0.00 179.25 181.07 1ugs h LYS 57 N 1.12 1.24 -0.16 0.00 1.57 -1.05 0.28 116.57 119.56 1ugs h LYS 57 Ca 0.37 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1ugs h LYS 57 Cb 0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1ugs h LYS 57 CO -0.13 0.85 -0.02 0.28 -0.57 0.00 0.00 179.45 179.86 1ugs h VAL 58 N 1.26 1.28 -0.11 0.50 2.07 -1.04 -2.65 116.25 117.56 1ugs h VAL 58 Ca 0.33 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1ugs h VAL 58 Cb -0.08 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ugs h VAL 58 CO -0.06 0.28 -0.04 0.58 0.02 0.00 0.00 177.57 178.35 1ugs h VAL 59 N 0.02 0.87 -0.04 2.57 2.07 -0.62 -1.60 116.25 119.52 1ugs h VAL 59 Ca 0.04 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 1ugs h VAL 59 Cb 0.44 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1ugs h VAL 59 CO 0.01 0.00 -0.20 -0.37 0.02 0.00 0.00 177.57 177.04 1ugs h VAL 60 N -0.01 1.17 -0.25 2.57 -1.51 -0.98 0.28 116.25 117.50 1ugs h VAL 60 Ca 0.06 -0.77 -0.18 0.00 -1.23 0.00 0.00 66.70 64.58 1ugs h VAL 60 Cb 0.10 1.35 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1ugs h VAL 60 CO -0.12 0.23 -0.56 0.50 -1.23 0.00 0.00 177.57 176.38 1ugs h LYS 61 N 0.07 0.78 -0.45 5.19 3.64 -1.15 -1.88 116.57 122.77 1ugs h LYS 61 Ca 0.01 -0.50 -0.12 0.00 -1.27 0.00 0.00 60.65 58.77 1ugs h LYS 61 Cb 0.39 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1ugs h LYS 61 CO 0.03 1.13 -0.18 0.00 -2.27 0.00 0.00 179.45 178.16 1ugs h ALA 62 N 0.76 0.83 -0.07 5.00 0.00 -0.66 0.25 119.26 125.37 1ugs h ALA 62 Ca 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1ugs h ALA 62 Cb 1.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ugs h ALA 62 CO 0.12 0.65 -0.19 -1.49 0.00 0.00 0.00 179.25 178.33 1ugs h TRP 63 N 0.78 0.12 -0.26 0.00 6.55 -0.79 -3.16 115.95 119.18 1ugs h TRP 63 Ca 0.11 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.94 1ugs h TRP 63 Cb 0.71 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 1ugs h TRP 63 CO 0.04 0.31 0.00 0.25 -1.05 0.00 0.00 178.44 177.99 1ugs n THR 64 N -4.26 0.76 -3.42 1.49 -2.24 -0.72 -4.84 114.28 101.05 1ugs n THR 64 Ca -0.02 -0.88 -0.22 0.00 -2.27 0.00 0.00 64.05 60.66 1ugs n THR 64 Cb 0.29 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 1ugs n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ugs s ASP 65 N -0.98 2.08 0.31 3.42 -1.08 0.86 -5.02 116.67 116.26 1ugs s ASP 65 Ca 0.20 -1.60 0.07 0.00 -0.52 0.00 0.00 52.55 50.70 1ugs s ASP 65 Cb 0.11 0.15 0.75 0.00 -1.46 0.00 0.00 42.92 42.48 1ugs s ASP 65 CO 0.15 -0.32 1.80 -0.65 0.52 0.00 0.00 175.17 176.67 1ugs h PRO 66 N 7.39 0.74 -0.23 4.34 0.11 -1.84 -0.61 132.00 141.90 1ugs h PRO 66 Ca -0.00 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 1ugs h PRO 66 Cb 1.03 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1ugs h PRO 66 CO 0.27 0.49 -0.28 0.93 -0.21 0.00 0.00 178.00 179.20 1ugs h GLU 67 N 0.76 0.60 -0.89 1.05 4.39 -1.95 -2.18 114.58 116.36 1ugs h GLU 67 Ca 0.55 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 1ugs h GLU 67 Cb 0.86 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.49 1ugs h GLU 67 CO -0.34 0.93 0.53 0.35 -1.16 0.00 0.00 179.01 179.32 1ugs h PHE 68 N 0.30 1.19 -0.72 4.33 3.57 -1.70 -1.61 116.94 122.30 1ugs h PHE 68 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1ugs h PHE 68 Cb 0.84 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1ugs h PHE 68 CO 0.08 0.80 0.43 -0.22 -2.23 0.00 0.00 178.31 177.17 1ugs h LYS 69 N 1.23 0.79 -0.36 1.11 3.64 -1.02 0.36 116.57 122.32 1ugs h LYS 69 Ca 0.32 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1ugs h LYS 69 Cb -0.03 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1ugs h LYS 69 CO -0.06 0.52 0.18 0.87 -2.27 0.00 0.00 179.45 178.69 1ugs h LYS 70 N 0.82 0.52 -0.82 1.90 1.57 -0.72 -1.11 116.57 118.73 1ugs h LYS 70 Ca 0.31 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1ugs h LYS 70 Cb 0.11 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1ugs h LYS 70 CO -0.15 0.47 0.40 0.00 -0.57 0.00 0.00 179.45 179.60 1ugs h ARG 71 N 0.45 1.18 -0.35 3.15 3.08 -0.48 0.00 114.38 121.41 1ugs h ARG 71 Ca 0.13 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ugs h ARG 71 Cb 0.12 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1ugs h ARG 71 CO -0.02 0.90 0.21 1.25 -1.07 0.00 0.00 179.97 181.25 1ugs h LEU 72 N 1.17 0.42 -0.89 3.04 5.85 0.13 0.49 115.31 125.52 1ugs h LEU 72 Ca 0.28 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1ugs h LEU 72 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ugs h LEU 72 CO -0.04 0.35 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.02 1ugs h LEU 73 N 0.45 0.00 0.01 2.25 3.38 -0.94 -2.59 115.31 117.87 1ugs h LEU 73 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1ugs h LEU 73 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ugs h LEU 73 CO -0.02 0.32 -0.51 0.00 0.09 0.00 0.00 178.44 178.32 1ugs h ALA 74 N 1.68 0.05 -1.64 1.53 0.00 -0.50 -3.44 119.26 116.93 1ugs h ALA 74 Ca -0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 1ugs h ALA 74 Cb 0.89 0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.44 1ugs h ALA 74 CO 0.04 0.27 -0.57 0.34 0.00 0.00 0.00 179.25 179.34 1ugs s ASP 75 N -6.64 0.24 0.15 0.00 -1.08 0.12 -5.05 116.67 104.42 1ugs s ASP 75 Ca -0.14 -0.85 -0.17 0.00 -0.52 0.00 0.00 52.55 50.86 1ugs s ASP 75 Cb 0.02 1.10 0.06 0.00 -1.46 0.00 0.00 42.92 42.65 1ugs s ASP 75 CO 0.80 -0.29 1.70 1.23 0.52 0.00 0.00 175.17 179.13 1ugs h GLY 76 N 7.57 0.32 0.81 2.66 0.00 -1.23 -1.29 103.07 111.90 1ugs h GLY 76 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.40 1ugs h GLY 76 CO 0.21 -0.09 0.06 -0.84 0.00 0.00 0.00 176.54 175.88 1ugs h THR 77 N 0.08 0.93 -0.56 4.70 2.02 -1.87 -1.51 112.91 116.70 1ugs h THR 77 Ca 0.16 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.22 1ugs h THR 77 Cb 0.23 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1ugs h THR 77 CO -0.29 0.03 0.08 -0.33 0.37 0.00 0.00 175.52 175.38 1ugs h GLU 78 N 0.16 0.94 0.01 6.66 4.39 -1.88 -2.51 114.58 122.35 1ugs h GLU 78 Ca 0.10 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1ugs h GLU 78 Cb 0.07 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ugs h GLU 78 CO -0.11 0.91 -0.01 0.00 -1.16 0.00 0.00 179.01 178.64 1ugs h ALA 79 N 0.99 -0.02 -0.02 3.43 0.00 -1.03 -2.56 119.26 120.05 1ugs h ALA 79 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ugs h ALA 79 Cb 0.43 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ugs h ALA 79 CO 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 179.25 178.79 1ugs h LYS 81 N 0.03 0.00 0.00 0.00 1.57 -1.02 -0.17 116.57 116.98 1ugs h LYS 81 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1ugs h LYS 81 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ugs h LYS 81 CO -0.00 0.05 -0.06 0.93 -0.57 0.00 0.00 179.45 179.81 1ugs h GLU 82 N 0.00 0.00 -0.46 3.15 5.08 -0.91 -0.90 114.58 120.54 1ugs h GLU 82 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ugs h GLU 82 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ugs h GLU 82 CO 0.01 0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 1ugs n LEU 83 N -3.74 3.68 -0.77 1.33 4.77 -0.16 -4.93 117.00 117.19 1ugs n LEU 83 Ca -0.02 -2.28 -0.09 0.00 -0.03 0.00 0.00 56.01 53.58 1ugs n LEU 83 Cb 0.16 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1ugs n LEU 83 CO 0.28 0.78 -0.09 0.61 -1.33 0.00 0.00 177.39 177.64 1ugs n GLY 84 N 0.65 0.96 3.56 -0.72 0.00 -0.34 -5.00 105.19 104.30 1ugs n GLY 84 Ca 0.19 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1ugs n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugs s ILE 85 N -2.36 4.42 -4.75 -0.61 1.01 -0.69 -4.98 121.20 113.23 1ugs s ILE 85 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1ugs s ILE 85 Cb 0.00 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1ugs s ILE 85 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1ugs n GLY 86 N 3.73 -1.60 0.00 6.18 0.00 -1.26 -3.06 105.19 109.18 1ugs n GLY 86 Ca -0.17 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1ugs n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugs n GLY 87 N -0.14 0.37 3.68 -0.02 0.00 -1.26 -4.78 105.19 103.04 1ugs n GLY 87 Ca 0.00 -2.11 -0.55 0.00 0.00 0.00 0.00 46.02 43.35 1ugs n GLY 87 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ugs n LEU 88 N 0.00 2.24 -0.62 0.99 7.94 -1.26 -1.12 117.00 125.18 1ugs n LEU 88 Ca 0.00 1.08 -0.08 0.00 -1.11 0.00 0.00 56.01 55.90 1ugs n LEU 88 Cb 0.00 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 42.75 1ugs n LEU 88 CO 0.00 -0.58 -0.08 0.00 -1.11 0.00 0.00 177.39 175.62 1ugs n GLN 89 N 4.64 -1.13 -0.85 1.96 1.13 -1.26 -4.10 117.38 117.77 1ugs n GLN 89 Ca 0.24 0.71 0.01 0.00 -1.94 0.00 0.00 57.00 56.03 1ugs n GLN 89 Cb 0.16 -4.77 0.01 0.00 0.11 0.00 0.00 30.24 25.74 1ugs n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ugs n GLY 90 N -0.86 0.68 0.25 1.08 0.00 -0.28 -3.82 105.19 102.25 1ugs n GLY 90 Ca -0.08 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1ugs n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ugs h GLU 91 N 0.35 0.16 -3.88 1.61 3.07 -1.78 -3.39 114.58 110.72 1ugs h GLU 91 Ca -0.08 -0.02 -0.56 0.00 -0.50 0.00 0.00 59.36 58.19 1ugs h GLU 91 Cb 1.57 -0.03 -0.39 0.00 -0.84 0.00 0.00 28.75 29.06 1ugs h GLU 91 CO 0.03 0.22 -0.77 -0.51 -1.40 0.00 0.00 179.01 176.58 1ugs s ASP 92 N -6.93 3.47 -0.04 1.42 1.01 -1.26 -4.82 116.67 109.51 1ugs s ASP 92 Ca -0.05 -1.10 0.07 0.00 0.71 0.00 0.00 52.55 52.17 1ugs s ASP 92 Cb 0.16 -0.88 -0.01 0.00 1.01 0.00 0.00 42.92 43.20 1ugs s ASP 92 CO 0.71 -0.30 -0.25 -0.04 0.21 0.00 0.00 175.17 175.50 1ugs s MET 93 N 1.63 2.36 -0.18 8.23 -1.94 -1.26 0.81 119.30 128.95 1ugs s MET 93 Ca -0.01 -0.90 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 1ugs s MET 93 Cb -0.18 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.61 1ugs s MET 93 CO -0.10 0.44 -0.08 1.41 -0.01 0.00 0.00 175.02 176.68 1ugs s MET 94 N -0.32 1.72 0.05 2.03 1.75 0.94 -2.66 119.30 122.82 1ugs s MET 94 Ca 0.01 -0.65 -0.17 0.00 -1.25 0.00 0.00 55.69 53.63 1ugs s MET 94 Cb -0.12 -2.18 -0.06 0.00 2.84 0.00 0.00 34.83 35.31 1ugs s MET 94 CO 0.02 -0.42 0.49 -1.58 -0.65 0.00 0.00 175.02 172.88 1ugs s TRP 95 N 1.53 3.75 -0.07 4.11 0.52 -1.26 -1.75 118.94 125.77 1ugs s TRP 95 Ca 0.00 1.12 0.04 0.00 0.02 0.00 0.00 56.10 57.29 1ugs s TRP 95 Cb -0.16 -2.39 0.00 0.00 -1.15 0.00 0.00 33.47 29.78 1ugs s TRP 95 CO -0.08 0.60 -0.19 0.14 0.02 0.00 0.00 176.95 177.43 1ugs s VAL 96 N -1.13 1.67 -0.16 4.03 -7.23 0.02 -4.75 120.40 112.84 1ugs s VAL 96 Ca 0.27 -0.81 -0.17 0.00 -1.81 0.00 0.00 61.98 59.47 1ugs s VAL 96 Cb -0.18 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1ugs s VAL 96 CO 0.17 0.47 0.42 -0.70 -0.31 0.00 0.00 175.10 175.15 1ugs s GLU 97 N 0.27 4.26 0.37 4.82 2.12 -1.26 -0.25 118.70 129.02 1ugs s GLU 97 Ca -0.12 0.30 -0.25 0.00 0.36 0.00 0.00 54.97 55.26 1ugs s GLU 97 Cb -0.15 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.67 1ugs s GLU 97 CO 0.05 0.08 1.04 -0.80 -0.54 0.00 0.00 175.26 175.09 1ugs s ASN 98 N 0.78 6.91 0.07 -1.70 0.01 -0.55 -4.89 114.94 115.58 1ugs s ASN 98 Ca 0.22 2.05 0.02 0.00 -0.71 0.00 0.00 52.86 54.43 1ugs s ASN 98 Cb -0.15 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.92 1ugs s ASN 98 CO 0.08 -0.38 0.06 0.35 -1.51 0.00 0.00 177.10 175.70 1ugs n THR 99 N 0.21 0.00 0.31 1.60 -2.24 -0.25 -4.42 114.28 109.49 1ugs n THR 99 Ca 0.04 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.44 1ugs n THR 99 Cb 0.49 0.25 0.38 0.00 -2.10 0.00 0.00 70.33 69.36 1ugs n THR 99 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ugs h ASP 100 N 0.43 0.00 0.03 3.42 3.32 -2.02 -3.21 116.42 118.39 1ugs h ASP 100 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ugs h ASP 100 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ugs h ASP 100 CO 0.07 0.00 -1.74 -0.62 -1.72 0.00 0.00 179.24 175.24 1ugs n GLU 101 N -2.91 0.50 -3.92 3.56 4.71 -1.26 -4.93 120.64 116.40 1ugs n GLU 101 Ca 0.03 -0.14 -0.11 0.00 -0.01 0.00 0.00 57.16 56.93 1ugs n GLU 101 Cb 0.42 -1.52 -0.12 0.00 -1.01 0.00 0.00 31.44 29.21 1ugs n GLU 101 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ugs s VAL 102 N -3.39 0.05 -0.04 2.62 1.01 -1.21 -2.83 120.40 116.60 1ugs s VAL 102 Ca -0.04 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ugs s VAL 102 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.38 1ugs s VAL 102 CO 0.90 -0.24 -0.15 -2.28 0.00 0.00 0.00 175.10 173.33 1ugs s HIS 103 N -0.69 1.53 0.04 5.22 2.46 -0.29 -1.09 115.29 122.46 1ugs s HIS 103 Ca -0.08 -0.43 0.04 0.00 0.47 0.00 0.00 55.06 55.05 1ugs s HIS 103 Cb -0.05 -1.04 -0.04 0.00 -0.13 0.00 0.00 32.58 31.32 1ugs s HIS 103 CO -0.00 -0.16 -0.03 -1.01 -2.47 0.00 0.00 174.74 171.07 1ugs s HIS 104 N 0.11 2.97 -0.06 3.88 3.76 -1.26 -0.56 115.29 124.12 1ugs s HIS 104 Ca -0.04 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 1ugs s HIS 104 Cb -0.11 -1.59 0.03 0.00 1.11 0.00 0.00 32.58 32.02 1ugs s HIS 104 CO 0.02 0.44 0.16 0.54 -0.85 0.00 0.00 174.74 175.05 1ugs s VAL 105 N -1.15 -0.02 0.03 -0.90 0.11 -0.70 -4.30 120.40 113.47 1ugs s VAL 105 Ca 0.21 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 1ugs s VAL 105 Cb -0.11 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 1ugs s VAL 105 CO 0.13 0.04 0.01 -0.69 -3.33 0.00 0.00 175.10 171.25 1ugs s VAL 106 N 0.66 4.18 0.16 2.04 1.01 0.70 -0.48 120.40 128.66 1ugs s VAL 106 Ca -0.05 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1ugs s VAL 106 Cb -0.06 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.44 1ugs s VAL 106 CO -0.03 0.28 0.49 0.54 0.00 0.00 0.00 175.10 176.38 1ugs s VAL 107 N -1.18 0.04 -0.47 2.92 0.11 -0.38 -4.93 120.40 116.51 1ugs s VAL 107 Ca 0.22 -0.50 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 1ugs s VAL 107 Cb -0.12 -1.26 0.15 0.00 -1.53 0.00 0.00 36.38 33.62 1ugs s VAL 107 CO 0.14 -0.17 0.32 0.00 -3.33 0.00 0.00 175.10 172.06 1ugs h THR 109 N 4.86 1.11 0.00 0.00 1.35 -1.87 -2.58 112.91 115.78 1ugs h THR 109 Ca 0.12 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1ugs h THR 109 Cb 0.89 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1ugs h THR 109 CO 0.47 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 176.02 1ugs n LEU 110 N -4.47 0.00 0.00 3.87 4.77 -1.26 -4.92 117.00 114.99 1ugs n LEU 110 Ca 0.03 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1ugs n LEU 110 Cb 0.06 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1ugs n LEU 110 CO 0.35 -0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 1ugs n SER 112 N 0.00 -0.13 -4.77 0.00 3.41 -1.25 -4.81 113.62 106.06 1ugs n SER 112 Ca 0.00 -0.55 -0.41 0.00 -0.26 0.00 0.00 58.87 57.65 1ugs n SER 112 Cb 0.00 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 1ugs n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ugs s THR 114 N -0.78 0.03 -1.08 0.00 2.01 -1.26 -4.63 115.64 109.93 1ugs s THR 114 Ca 0.55 -0.26 -0.22 0.00 0.31 0.00 0.00 61.69 62.07 1ugs s THR 114 Cb -0.46 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1ugs s THR 114 CO 0.57 -0.14 1.73 -2.16 -0.69 0.00 0.00 174.62 173.93 1ugs s PRO 115 N -1.44 3.20 0.34 4.92 0.04 -1.26 -4.79 135.00 136.01 1ugs s PRO 115 Ca -0.11 -1.09 0.12 0.00 0.04 0.00 0.00 61.00 59.95 1ugs s PRO 115 Cb -0.02 -5.30 0.92 0.00 0.04 0.00 0.00 34.50 30.14 1ugs s PRO 115 CO 0.06 -2.85 1.75 -1.49 0.04 0.00 0.00 177.00 174.52 1ugs h TRP 116 N 9.72 0.91 -0.21 0.56 6.55 -1.75 -1.29 115.95 130.44 1ugs h TRP 116 Ca 0.23 0.03 0.06 0.00 0.95 0.00 0.00 58.89 60.16 1ugs h TRP 116 Cb 0.97 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.99 1ugs h TRP 116 CO 1.28 0.10 0.22 -1.35 -1.05 0.00 0.00 178.44 177.64 1ugs h PRO 117 N 0.56 0.00 0.00 0.49 0.11 -1.85 0.48 132.00 131.79 1ugs h PRO 117 Ca 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.71 1ugs h PRO 117 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ugs h PRO 117 CO -0.40 0.00 -1.22 1.33 -0.21 0.00 0.00 178.00 177.50 1ugs n VAL 118 N -3.86 0.06 0.20 3.15 0.24 -0.79 -4.61 118.33 112.72 1ugs n VAL 118 Ca 0.02 -0.12 0.03 0.00 -2.04 0.00 0.00 64.34 62.23 1ugs n VAL 118 Cb 0.35 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 1ugs n VAL 118 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ugs n LEU 119 N -1.76 0.20 0.00 1.34 4.77 -0.56 -1.32 117.00 119.67 1ugs n LEU 119 Ca -0.02 -0.36 0.03 0.00 -0.03 0.00 0.00 56.01 55.62 1ugs n LEU 119 Cb 0.23 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1ugs n LEU 119 CO 0.09 0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 176.78 1ugs n GLY 120 N 1.42 -1.91 3.74 -0.72 0.00 0.17 -3.30 105.19 104.58 1ugs n GLY 120 Ca 0.01 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 1ugs n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugs s LEU 121 N 0.00 4.40 0.57 0.99 1.43 -1.26 -4.32 118.68 120.49 1ugs s LEU 121 Ca 0.00 2.53 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 1ugs s LEU 121 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1ugs s LEU 121 CO 0.00 -0.62 1.18 -2.16 0.23 0.00 0.00 176.35 174.97 1ugs s PRO 122 N -0.15 3.12 0.69 1.29 0.04 -1.26 -5.01 135.00 133.72 1ugs s PRO 122 Ca 0.59 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.22 1ugs s PRO 122 Cb -0.39 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1ugs s PRO 122 CO 0.40 -1.07 1.13 -1.25 0.04 0.00 0.00 177.00 176.25 1ugs s PRO 123 N -3.32 2.58 0.39 0.56 0.04 -1.26 -4.92 135.00 129.07 1ugs s PRO 123 Ca 0.76 1.47 0.11 0.00 0.04 0.00 0.00 61.00 63.37 1ugs s PRO 123 Cb -0.28 -1.92 0.90 0.00 0.04 0.00 0.00 34.50 33.24 1ugs s PRO 123 CO 0.31 -1.44 1.93 -0.91 0.04 0.00 0.00 177.00 176.93 1ugs h ASN 124 N -0.14 0.54 0.07 6.66 2.35 -2.00 -2.31 115.58 120.75 1ugs h ASN 124 Ca -0.47 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 1ugs h ASN 124 Cb 1.26 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 1ugs h ASN 124 CO 0.53 0.30 -0.08 4.11 -1.65 0.00 0.00 177.43 180.64 1ugs h TRP 125 N 0.59 0.02 0.00 1.19 5.08 -1.94 -1.46 115.95 119.42 1ugs h TRP 125 Ca 0.36 -0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.24 1ugs h TRP 125 Cb 0.60 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.74 1ugs h TRP 125 CO -0.00 0.10 -0.44 0.35 -1.28 0.00 0.00 178.44 177.16 1ugs h PHE 126 N 0.02 0.00 0.00 0.12 3.57 -1.78 -2.97 116.94 115.91 1ugs h PHE 126 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ugs h PHE 126 Cb 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1ugs h PHE 126 CO 0.00 0.44 -0.81 1.63 -2.23 0.00 0.00 178.31 177.34 1ugs n LYS 127 N -3.81 0.28 -2.42 1.11 5.02 -0.64 -4.70 118.16 113.01 1ugs n LYS 127 Ca -0.01 0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 1ugs n LYS 127 Cb 0.50 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 1ugs n LYS 127 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ugs s GLU 128 N -3.18 3.76 0.35 1.97 2.02 -0.70 -4.79 118.70 118.13 1ugs s GLU 128 Ca 0.05 0.67 0.09 0.00 0.02 0.00 0.00 54.97 55.80 1ugs s GLU 128 Cb 0.14 -2.22 0.81 0.00 0.10 0.00 0.00 34.13 32.95 1ugs s GLU 128 CO 0.76 -0.27 1.87 -1.35 0.02 0.00 0.00 175.26 176.28 1ugs h PRO 129 N 0.61 0.68 0.44 0.39 0.11 -1.92 -3.03 132.00 129.29 1ugs h PRO 129 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1ugs h PRO 129 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1ugs h PRO 129 CO 0.62 0.45 -0.28 1.96 -0.21 0.00 0.00 178.00 180.54 1ugs h GLN 130 N 0.70 -0.67 -0.07 1.05 7.50 -1.94 -0.56 115.11 121.12 1ugs h GLN 130 Ca 0.45 0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.64 1ugs h GLN 130 Cb 0.71 0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.39 1ugs h GLN 130 CO -0.21 -0.45 -0.00 -0.92 -1.50 0.00 0.00 178.83 175.75 1ugs h TYR 131 N -0.70 0.13 -0.83 2.96 3.20 -1.76 -2.94 116.97 117.03 1ugs h TYR 131 Ca -0.05 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.87 1ugs h TYR 131 Cb 0.58 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1ugs h TYR 131 CO -0.10 0.40 0.50 0.00 -1.64 0.00 0.00 178.16 177.32 1ugs h ARG 132 N -0.18 0.88 -0.15 1.82 3.08 -1.52 -1.44 114.38 116.86 1ugs h ARG 132 Ca 0.02 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1ugs h ARG 132 Cb 0.35 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ugs h ARG 132 CO 0.00 0.58 -0.32 0.66 -1.07 0.00 0.00 179.97 179.83 1ugs h SER 133 N 0.90 0.54 0.57 7.04 4.64 -1.15 -3.38 113.55 122.72 1ugs h SER 133 Ca 0.37 -0.56 -0.28 0.00 -0.47 0.00 0.00 61.79 60.84 1ugs h SER 133 Cb 0.21 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1ugs h SER 133 CO -0.19 1.00 -1.28 -0.09 -0.87 0.00 0.00 176.83 175.40 1ugs h ARG 134 N 0.10 0.32 -0.39 4.77 2.43 -1.39 -3.38 114.38 116.83 1ugs h ARG 134 Ca 0.00 -0.54 0.07 0.00 -0.81 0.00 0.00 59.98 58.71 1ugs h ARG 134 Cb 0.92 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1ugs h ARG 134 CO 0.07 1.26 0.27 -0.24 -1.51 0.00 0.00 179.97 179.82 1ugs h VAL 135 N 0.09 0.91 0.00 0.20 3.04 -1.43 0.95 116.25 120.00 1ugs h VAL 135 Ca -0.15 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1ugs h VAL 135 Cb 2.00 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1ugs h VAL 135 CO 0.22 0.04 -0.20 -0.37 -1.01 0.00 0.00 177.57 176.24 1ugs h VAL 136 N 0.21 0.00 0.00 1.51 -1.51 -1.78 -3.08 116.25 111.59 1ugs h VAL 136 Ca 0.18 -0.56 -0.36 0.00 -1.23 0.00 0.00 66.70 64.73 1ugs h VAL 136 Cb 0.45 1.44 -0.07 0.00 -2.13 0.00 0.00 31.29 30.98 1ugs h VAL 136 CO -0.03 0.00 -2.36 -1.14 -1.23 0.00 0.00 177.57 172.81 1ugs n ARG 137 N -2.34 0.65 -3.12 5.19 0.63 -0.38 -4.76 116.66 112.53 1ugs n ARG 137 Ca 0.05 0.12 -0.17 0.00 -0.92 0.00 0.00 57.85 56.92 1ugs n ARG 137 Cb 0.45 -1.48 -0.02 0.00 0.45 0.00 0.00 32.46 31.85 1ugs n ARG 137 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ugs n GLU 138 N -3.13 1.04 -0.30 -0.14 1.02 0.19 -4.98 120.64 114.34 1ugs n GLU 138 Ca -0.41 -3.40 0.01 0.00 -0.02 0.00 0.00 57.16 53.35 1ugs n GLU 138 Cb 0.98 -1.67 0.15 0.00 -0.02 0.00 0.00 31.44 30.88 1ugs n GLU 138 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ugs h PRO 139 N 3.00 0.89 -0.00 3.49 0.13 -1.68 -1.40 132.00 136.42 1ugs h PRO 139 Ca 0.08 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1ugs h PRO 139 Cb 0.99 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ugs h PRO 139 CO 0.51 0.59 0.00 -0.09 -0.23 0.00 0.00 178.00 178.78 1ugs h ARG 140 N 0.92 0.00 -0.38 0.86 2.43 -1.94 -0.93 114.38 115.33 1ugs h ARG 140 Ca 0.38 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1ugs h ARG 140 Cb 0.22 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ugs h ARG 140 CO -0.19 0.10 0.15 1.96 -1.51 0.00 0.00 179.97 180.47 1ugs h GLN 141 N -0.10 0.58 -0.53 0.20 7.50 -1.92 -2.33 115.11 118.51 1ugs h GLN 141 Ca 0.00 -0.11 0.05 0.00 0.50 0.00 0.00 58.65 59.09 1ugs h GLN 141 Cb 0.10 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.49 1ugs h GLN 141 CO -0.00 0.56 0.26 1.25 -1.50 0.00 0.00 178.83 179.40 1ugs h LEU 142 N 0.47 0.36 -1.06 1.46 6.46 -1.15 0.33 115.31 122.19 1ugs h LEU 142 Ca 0.13 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1ugs h LEU 142 Cb 0.20 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1ugs h LEU 142 CO -0.01 0.25 0.37 -0.07 -0.62 0.00 0.00 178.44 178.36 1ugs h LEU 143 N 0.50 0.93 0.07 2.25 3.38 -1.01 0.40 115.31 121.84 1ugs h LEU 143 Ca 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ugs h LEU 143 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1ugs h LEU 143 CO -0.17 0.77 -0.03 0.50 0.09 0.00 0.00 178.44 179.60 1ugs h LYS 144 N 1.04 -0.09 -0.27 1.13 3.64 -0.79 0.49 116.57 121.71 1ugs h LYS 144 Ca 0.26 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1ugs h LYS 144 Cb 0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ugs h LYS 144 CO -0.04 0.47 0.01 0.93 -2.27 0.00 0.00 179.45 178.55 1ugs h GLU 145 N -0.80 0.47 0.13 1.90 5.08 -0.35 -0.86 114.58 120.15 1ugs h GLU 145 Ca -0.01 -0.15 -0.33 0.00 -1.00 0.00 0.00 59.36 57.87 1ugs h GLU 145 Cb 0.61 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1ugs h GLU 145 CO 0.02 0.63 -1.73 1.49 -1.00 0.00 0.00 179.01 178.41 1ugs h GLU 146 N 0.26 0.27 -0.14 2.33 4.57 -1.07 -3.39 114.58 117.40 1ugs h GLU 146 Ca 0.08 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1ugs h GLU 146 Cb 0.41 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1ugs h GLU 146 CO 0.01 1.13 0.00 1.19 -1.18 0.00 0.00 179.01 180.16 1ugs n PHE 147 N -3.46 0.18 -2.22 0.92 3.01 -0.92 -4.98 117.46 110.00 1ugs n PHE 147 Ca -0.23 -0.26 -0.19 0.00 1.01 0.00 0.00 57.45 57.78 1ugs n PHE 147 Cb 1.06 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.48 1ugs n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ugs n GLY 148 N 0.36 0.01 3.24 1.37 0.00 -0.33 -4.94 105.19 104.91 1ugs n GLY 148 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ugs n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ugs s PHE 149 N -2.88 3.36 -0.44 1.61 5.36 0.11 -4.92 117.98 120.18 1ugs s PHE 149 Ca 0.00 -1.67 -0.21 0.00 -0.96 0.00 0.00 56.93 54.10 1ugs s PHE 149 Cb 0.00 -2.87 0.03 0.00 -0.34 0.00 0.00 43.02 39.84 1ugs s PHE 149 CO 0.00 -0.85 0.65 -2.00 -1.46 0.00 0.00 175.22 171.56 1ugs s GLU 150 N 1.37 3.27 -0.41 10.12 2.12 -1.26 -2.49 118.70 131.42 1ugs s GLU 150 Ca 0.03 -0.38 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 1ugs s GLU 150 Cb -0.22 -3.96 0.02 0.00 0.26 0.00 0.00 34.13 30.22 1ugs s GLU 150 CO 0.01 -1.03 0.36 0.08 -0.54 0.00 0.00 175.26 174.14 1ugs s VAL 151 N 2.84 5.18 0.13 3.70 1.01 -1.26 -5.04 120.40 126.96 1ugs s VAL 151 Ca 0.23 -0.45 -0.33 0.00 0.00 0.00 0.00 61.98 61.42 1ugs s VAL 151 Cb -0.14 -3.96 -0.18 0.00 0.00 0.00 0.00 36.38 32.10 1ugs s VAL 151 CO 0.19 -0.33 0.89 -2.65 0.00 0.00 0.00 175.10 173.20 1ugs n PRO 152 N 5.36 0.34 -0.33 2.72 -0.02 -1.26 -4.82 135.00 136.99 1ugs n PRO 152 Ca -0.09 0.12 0.25 0.00 -2.02 0.00 0.00 63.50 61.75 1ugs n PRO 152 Cb 0.47 -1.43 0.53 0.00 -0.02 0.00 0.00 33.50 33.06 1ugs n PRO 152 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ugs h PRO 153 N 2.32 0.33 0.00 0.52 0.11 -2.03 0.16 132.00 133.41 1ugs h PRO 153 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ugs h PRO 153 Cb 1.41 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1ugs h PRO 153 CO 0.63 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.30 1ugs h SER 154 N 0.34 0.00 -3.34 -2.05 4.64 -2.01 -3.43 113.55 107.70 1ugs h SER 154 Ca 0.61 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.35 1ugs h SER 154 Cb 1.63 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.65 1ugs h SER 154 CO -0.29 0.00 0.28 -0.75 -0.87 0.00 0.00 176.83 175.20 1ugs s LYS 155 N -3.41 4.34 0.25 4.77 2.20 0.54 -5.02 119.74 123.40 1ugs s LYS 155 Ca 0.04 0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 56.32 1ugs s LYS 155 Cb 0.08 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 1ugs s LYS 155 CO 0.57 -0.20 1.18 -2.00 -0.36 0.00 0.00 175.35 174.55 1ugs s GLU 156 N 1.69 4.52 -0.25 4.03 2.12 -1.13 -4.83 118.70 124.86 1ugs s GLU 156 Ca 0.38 1.92 -0.04 0.00 0.36 0.00 0.00 54.97 57.58 1ugs s GLU 156 Cb -0.17 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1ugs s GLU 156 CO 0.15 0.01 -0.01 0.42 -0.54 0.00 0.00 175.26 175.28 1ugs s ILE 157 N -0.67 3.43 -0.30 -3.70 1.01 -1.26 -1.14 121.20 118.58 1ugs s ILE 157 Ca 0.49 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 60.37 1ugs s ILE 157 Cb -0.34 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1ugs s ILE 157 CO 0.41 0.28 0.17 -0.54 0.00 0.00 0.00 174.94 175.26 1ugs s LYS 158 N 1.45 3.62 -0.25 2.79 1.02 0.28 -4.98 119.74 123.66 1ugs s LYS 158 Ca 0.04 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.37 1ugs s LYS 158 Cb -0.16 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 1ugs s LYS 158 CO -0.02 -0.31 0.24 0.08 -0.92 0.00 0.00 175.35 174.42 1ugs s VAL 159 N 1.68 5.29 -0.41 3.17 1.01 -1.26 -1.72 120.40 128.18 1ugs s VAL 159 Ca 0.06 0.32 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 1ugs s VAL 159 Cb -0.16 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.68 1ugs s VAL 159 CO 0.08 0.28 0.27 0.26 0.00 0.00 0.00 175.10 175.99 1ugs s TRP 160 N 1.41 3.25 -0.52 5.22 0.52 0.37 -4.98 118.94 124.22 1ugs s TRP 160 Ca 0.10 -0.90 -0.19 0.00 0.02 0.00 0.00 56.10 55.13 1ugs s TRP 160 Cb -0.15 -2.65 0.07 0.00 -1.15 0.00 0.00 33.47 29.59 1ugs s TRP 160 CO 0.07 -0.68 0.64 0.34 0.02 0.00 0.00 176.95 177.34 1ugs s ASP 161 N 1.81 6.21 -1.06 2.95 -1.08 -1.26 -1.24 116.67 123.01 1ugs s ASP 161 Ca 0.03 -1.02 -0.22 0.00 -0.52 0.00 0.00 52.55 50.82 1ugs s ASP 161 Cb -0.20 -2.29 0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1ugs s ASP 161 CO 0.07 -0.93 1.60 -0.94 0.52 0.00 0.00 175.17 175.50 1ugs s SER 162 N 2.87 6.26 0.00 -0.34 1.04 -0.01 -4.75 113.70 118.77 1ugs s SER 162 Ca 0.14 -1.50 0.25 0.00 0.48 0.00 0.00 55.95 55.32 1ugs s SER 162 Cb -0.20 -2.57 0.55 0.00 0.10 0.00 0.00 66.02 63.90 1ugs s SER 162 CO 0.11 -1.73 1.44 -1.54 0.98 0.00 0.00 173.24 172.50 1ugs n SER 163 N 9.91 0.53 -1.09 7.02 3.41 -1.26 -4.76 113.62 127.38 1ugs n SER 163 Ca 0.37 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ugs n SER 163 Cb 0.49 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1ugs n SER 163 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ugs n SER 164 N -1.43 1.75 -0.04 4.04 3.41 -1.26 -5.01 113.62 115.08 1ugs n SER 164 Ca 0.06 -0.55 0.14 0.00 -0.26 0.00 0.00 58.87 58.27 1ugs n SER 164 Cb 0.34 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.95 1ugs n SER 164 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ugs n GLU 165 N -0.07 0.43 -2.21 4.33 -0.58 -1.26 -4.78 120.64 116.50 1ugs n GLU 165 Ca 0.00 -0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 1ugs n GLU 165 Cb 0.00 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.34 1ugs n GLU 165 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ugs s MET 166 N -2.62 4.34 -0.20 3.49 1.75 -1.26 -4.37 119.30 120.43 1ugs s MET 166 Ca 0.26 2.02 -0.05 0.00 -1.25 0.00 0.00 55.69 56.67 1ugs s MET 166 Cb 0.20 -3.26 -0.02 0.00 2.84 0.00 0.00 34.83 34.59 1ugs s MET 166 CO 0.49 -0.39 -0.01 1.03 -0.65 0.00 0.00 175.02 175.49 1ugs s ARG 167 N 1.00 3.60 -0.12 4.11 1.81 0.24 -4.80 118.95 124.78 1ugs s ARG 167 Ca 0.63 -0.53 -0.13 0.00 -1.72 0.00 0.00 55.73 53.98 1ugs s ARG 167 Cb -0.36 -3.05 -0.05 0.00 -0.45 0.00 0.00 34.95 31.04 1ugs s ARG 167 CO 0.31 0.02 0.28 -0.06 -0.68 0.00 0.00 175.30 175.16 1ugs s PHE 168 N 0.97 3.53 -0.04 -0.53 0.40 -1.26 -0.04 117.98 121.02 1ugs s PHE 168 Ca 0.01 0.65 0.03 0.00 -0.60 0.00 0.00 56.93 57.02 1ugs s PHE 168 Cb -0.14 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1ugs s PHE 168 CO 0.02 0.40 -0.11 0.08 0.70 0.00 0.00 175.22 176.31 1ugs s VAL 169 N -0.09 0.99 -0.10 -0.44 1.01 -0.72 -4.86 120.40 116.19 1ugs s VAL 169 Ca 0.17 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 1ugs s VAL 169 Cb -0.13 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1ugs s VAL 169 CO 0.05 0.30 0.64 -0.69 0.00 0.00 0.00 175.10 175.40 1ugs s VAL 170 N 0.27 5.08 -0.55 2.92 1.01 -0.63 -0.80 120.40 127.70 1ugs s VAL 170 Ca -0.06 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 1ugs s VAL 170 Cb -0.11 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.40 1ugs s VAL 170 CO 0.01 0.25 0.59 -0.22 0.00 0.00 0.00 175.10 175.73 1ugs s LEU 171 N 0.89 5.68 0.68 3.92 2.96 0.65 -4.33 118.68 129.13 1ugs s LEU 171 Ca 0.34 -1.51 -0.15 0.00 -0.22 0.00 0.00 54.13 52.59 1ugs s LEU 171 Cb -0.17 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1ugs s LEU 171 CO 0.15 -0.95 1.16 -2.16 -1.32 0.00 0.00 176.35 173.23 1ugs s PRO 172 N 2.16 2.53 0.51 0.98 0.04 -1.26 -1.48 135.00 138.48 1ugs s PRO 172 Ca 0.08 1.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1ugs s PRO 172 Cb -0.26 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 1ugs s PRO 172 CO 0.06 -1.49 1.14 -0.65 0.04 0.00 0.00 177.00 176.10 1ugs s GLN 173 N -3.95 3.53 -0.04 4.56 -0.21 -1.26 -4.81 119.66 117.47 1ugs s GLN 173 Ca 0.71 1.68 -0.30 0.00 0.02 0.00 0.00 55.36 57.47 1ugs s GLN 173 Cb -0.25 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 1ugs s GLN 173 CO 0.42 -0.72 1.27 0.50 -2.12 0.00 0.00 175.29 174.64 1ugs s ARG 174 N -3.03 4.32 0.47 2.91 3.52 -1.26 -4.55 118.95 121.34 1ugs s ARG 174 Ca 0.69 1.76 -0.24 0.00 -0.13 0.00 0.00 55.73 57.81 1ugs s ARG 174 Cb -0.26 -3.58 -0.08 0.00 -1.56 0.00 0.00 34.95 29.48 1ugs s ARG 174 CO 0.30 -0.50 1.29 -2.30 -0.81 0.00 0.00 175.30 173.28 1ugs n PRO 175 N 5.34 1.82 -1.27 5.12 -0.02 -1.26 -4.96 135.00 139.77 1ugs n PRO 175 Ca 0.12 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 1ugs n PRO 175 Cb 0.45 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.58 1ugs n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ugs s ALA 176 N -1.25 2.17 -0.11 3.55 0.00 -1.26 -3.77 121.76 121.09 1ugs s ALA 176 Ca 0.65 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1ugs s ALA 176 Cb -0.47 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1ugs s ALA 176 CO 0.55 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.87 1ugs n GLY 177 N -0.80 0.41 0.13 0.00 0.00 -1.26 -4.48 105.19 99.19 1ugs n GLY 177 Ca 0.10 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 45.22 1ugs n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ugs n THR 178 N -3.35 1.43 -1.66 2.61 -2.24 -1.25 -5.01 114.28 104.82 1ugs n THR 178 Ca -0.01 -1.70 -0.46 0.00 -2.27 0.00 0.00 64.05 59.60 1ugs n THR 178 Cb 0.21 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1ugs n THR 178 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ugs n ASP 179 N -1.07 2.86 0.00 3.42 8.00 -1.26 -1.72 116.55 126.79 1ugs n ASP 179 Ca 0.11 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.72 1ugs n ASP 179 Cb 0.61 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1ugs n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ugs n GLY 180 N 2.92 0.41 3.76 0.44 0.00 -1.26 -4.99 105.19 106.46 1ugs n GLY 180 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1ugs n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ugs s TRP 181 N -2.04 2.44 0.67 1.61 0.52 -0.70 -5.01 118.94 116.44 1ugs s TRP 181 Ca 0.00 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.55 1ugs s TRP 181 Cb 0.00 -3.40 -0.01 0.00 -1.15 0.00 0.00 33.47 28.92 1ugs s TRP 181 CO 0.00 -2.05 1.06 -1.54 0.02 0.00 0.00 176.95 174.44 1ugs s SER 182 N -1.82 5.68 0.36 2.95 1.04 -1.26 -4.83 113.70 115.83 1ugs s SER 182 Ca 0.75 1.41 0.05 0.00 0.48 0.00 0.00 55.95 58.64 1ugs s SER 182 Cb -0.27 -2.34 0.71 0.00 0.10 0.00 0.00 66.02 64.22 1ugs s SER 182 CO 0.34 -1.23 1.99 -0.33 0.98 0.00 0.00 173.24 175.00 1ugs h GLU 183 N -0.57 0.75 -0.37 4.02 5.08 -1.95 0.77 114.58 122.31 1ugs h GLU 183 Ca -0.44 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 1ugs h GLU 183 Cb 1.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1ugs h GLU 183 CO 0.61 0.50 -0.09 1.49 -1.00 0.00 0.00 179.01 180.51 1ugs h GLU 184 N 0.77 0.73 -0.41 2.33 4.81 -1.99 -0.97 114.58 119.86 1ugs h GLU 184 Ca 0.26 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1ugs h GLU 184 Cb 0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ugs h GLU 184 CO -0.07 0.87 -0.10 0.93 -0.73 0.00 0.00 179.01 179.91 1ugs h GLU 185 N 0.53 0.79 -0.51 1.92 5.08 -1.76 -3.05 114.58 117.57 1ugs h GLU 185 Ca 0.09 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1ugs h GLU 185 Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1ugs h GLU 185 CO 0.04 0.92 0.13 -0.07 -1.00 0.00 0.00 179.01 179.02 1ugs h LEU 186 N 0.60 0.72 -2.00 1.33 3.38 -0.79 -2.80 115.31 115.75 1ugs h LEU 186 Ca 0.10 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ugs h LEU 186 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ugs h LEU 186 CO 0.04 0.71 0.19 0.00 0.09 0.00 0.00 178.44 179.47 1ugs h ALA 187 N 1.39 2.24 0.00 1.53 0.00 -1.06 -0.77 119.26 122.59 1ugs h ALA 187 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ugs h ALA 187 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ugs h ALA 187 CO -0.00 -0.33 0.00 1.79 0.00 0.00 0.00 179.25 180.71 1ugs h THR 188 N 0.00 0.00 0.00 0.00 1.35 -1.54 -1.91 112.91 110.81 1ugs h THR 188 Ca 0.13 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1ugs h THR 188 Cb 0.51 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1ugs h THR 188 CO -0.00 0.00 -1.13 0.18 -0.25 0.00 0.00 175.52 174.31 1ugs n LEU 189 N -2.51 0.58 -4.68 3.87 4.77 -0.30 -4.89 117.00 113.85 1ugs n LEU 189 Ca -0.01 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 1ugs n LEU 189 Cb 0.11 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1ugs n LEU 189 CO 0.16 0.03 0.45 -0.69 -1.33 0.00 0.00 177.39 176.01 1ugs s VAL 190 N -3.24 4.98 0.30 4.08 1.01 -0.72 -0.64 120.40 126.18 1ugs s VAL 190 Ca 0.02 1.38 0.11 0.00 0.00 0.00 0.00 61.98 63.49 1ugs s VAL 190 Cb 0.14 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1ugs s VAL 190 CO 0.82 0.12 -0.16 0.42 0.00 0.00 0.00 175.10 176.29 1ugs s THR 191 N 1.74 2.39 0.21 3.92 -4.23 -1.26 -4.92 115.64 113.49 1ugs s THR 191 Ca 0.34 -2.34 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1ugs s THR 191 Cb -0.16 -2.41 0.16 0.00 1.34 0.00 0.00 72.50 71.43 1ugs s THR 191 CO 0.13 -0.34 1.85 -0.09 -0.54 0.00 0.00 174.62 175.63 1ugs h ARG 192 N 2.19 0.86 -0.93 3.99 2.43 -1.96 -1.62 114.38 119.34 1ugs h ARG 192 Ca -0.41 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ugs h ARG 192 Cb 1.26 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 1ugs h ARG 192 CO 0.63 0.57 0.60 0.93 -1.51 0.00 0.00 179.97 181.19 1ugs h GLU 193 N 0.88 1.23 0.00 0.20 3.07 -1.95 -1.55 114.58 116.46 1ugs h GLU 193 Ca 0.30 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1ugs h GLU 193 Cb 0.05 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 27.68 1ugs h GLU 193 CO -0.12 0.83 -0.15 0.66 -1.40 0.00 0.00 179.01 178.83 1ugs h SER 194 N 1.26 0.00 0.09 1.42 4.64 -1.37 0.13 113.55 119.72 1ugs h SER 194 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1ugs h SER 194 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1ugs h SER 194 CO -0.07 0.15 -0.16 0.23 -0.87 0.00 0.00 176.83 176.11 1ugs n MET 195 N -3.58 1.34 -0.06 4.77 2.81 -0.63 -3.50 117.12 118.27 1ugs n MET 195 Ca -0.01 -0.87 -0.04 0.00 -1.81 0.00 0.00 57.70 54.97 1ugs n MET 195 Cb 0.28 -1.48 -0.14 0.00 -0.71 0.00 0.00 33.22 31.17 1ugs n MET 195 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ugs n ILE 196 N -0.07 0.86 -0.04 2.02 5.41 -0.77 -1.60 119.36 125.16 1ugs n ILE 196 Ca 0.15 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1ugs n ILE 196 Cb 0.39 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.95 1ugs n ILE 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ugs n GLY 197 N 1.79 0.62 0.00 7.39 0.00 -0.04 -0.21 105.19 114.73 1ugs n GLY 197 Ca -0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.94 1ugs n GLY 197 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ugs n VAL 198 N -2.01 0.01 -3.73 1.61 0.24 -1.06 -4.65 118.33 108.75 1ugs n VAL 198 Ca 0.00 -0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1ugs n VAL 198 Cb 0.00 -0.41 -0.07 0.00 -1.47 0.00 0.00 33.84 31.89 1ugs n VAL 198 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ugs s GLU 199 N -3.00 0.82 0.74 7.34 2.02 -1.22 -4.79 118.70 120.61 1ugs s GLU 199 Ca 0.14 -0.41 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 1ugs s GLU 199 Cb 0.19 0.36 0.10 0.00 0.10 0.00 0.00 34.13 34.88 1ugs s GLU 199 CO 0.55 -0.26 1.04 -1.25 0.02 0.00 0.00 175.26 175.36 1ugs s PRO 200 N -2.33 1.80 0.83 0.39 0.04 -1.26 -3.60 135.00 130.87 1ugs s PRO 200 Ca -0.06 -0.59 -0.11 0.00 0.04 0.00 0.00 61.00 60.27 1ugs s PRO 200 Cb -0.01 -2.19 0.10 0.00 0.04 0.00 0.00 34.50 32.43 1ugs s PRO 200 CO -0.02 -1.46 1.13 0.00 0.04 0.00 0.00 177.00 176.70 1ugs s ALA 201 N -3.28 1.87 0.27 8.56 0.00 -1.26 -4.60 121.76 123.32 1ugs s ALA 201 Ca 0.64 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 1ugs s ALA 201 Cb -0.08 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 1ugs s ALA 201 CO 0.45 -2.24 1.60 0.15 0.00 0.00 0.00 175.76 175.72 1ugs s LYS 202 N -4.67 4.14 0.81 0.00 1.02 0.19 -4.91 119.74 116.32 1ugs s LYS 202 Ca 0.65 2.55 -0.12 0.00 0.02 0.00 0.00 55.97 59.07 1ugs s LYS 202 Cb -0.21 -3.05 0.08 0.00 -0.52 0.00 0.00 37.83 34.13 1ugs s LYS 202 CO 0.56 -0.63 1.11 0.00 -0.92 0.00 0.00 175.35 175.46 1ugs s ALA 203 N 0.25 2.27 0.00 5.17 0.00 -1.26 -4.76 121.76 123.42 1ugs s ALA 203 Ca 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1ugs s ALA 203 Cb -0.47 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ugs s ALA 203 CO 0.44 -1.76 0.00 0.28 0.00 0.00 0.00 175.76 174.72