#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xax s VAL 4 N 0.00 4.85 -0.03 -3.33 0.11 0.22 -0.17 120.40 122.04 1xax s VAL 4 Ca 0.00 1.80 0.01 0.00 -2.93 0.00 0.00 61.98 60.86 1xax s VAL 4 Cb 0.00 -4.21 0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1xax s VAL 4 CO 0.00 0.03 -0.05 -0.22 -3.33 0.00 0.00 175.10 171.52 1xax s LEU 5 N 2.04 1.51 0.00 2.54 2.96 0.13 -4.88 118.68 122.99 1xax s LEU 5 Ca 0.42 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.09 1xax s LEU 5 Cb -0.17 -0.44 0.01 0.00 0.50 0.00 0.00 46.19 46.09 1xax s LEU 5 CO 0.15 -0.02 0.23 0.68 -1.32 0.00 0.00 176.35 176.07 1xax s VAL 6 N 0.64 0.08 -0.27 1.68 -7.23 -1.26 0.90 120.40 114.94 1xax s VAL 6 Ca -0.09 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1xax s VAL 6 Cb -0.12 -0.62 0.16 0.00 0.56 0.00 0.00 36.38 36.36 1xax s VAL 6 CO 0.00 -0.35 0.52 -1.81 -0.31 0.00 0.00 175.10 173.15 1xax s ASP 7 N -1.52 -0.74 -0.03 4.85 1.01 0.91 -4.90 116.67 116.26 1xax s ASP 7 Ca -0.12 0.77 -0.01 0.00 0.71 0.00 0.00 52.55 53.90 1xax s ASP 7 Cb -0.05 1.78 -0.04 0.00 1.01 0.00 0.00 42.92 45.62 1xax s ASP 7 CO 0.02 -0.26 0.07 -1.48 0.21 0.00 0.00 175.17 173.73 1xax s LEU 8 N 2.74 3.89 -0.02 1.23 0.05 -1.25 0.20 118.68 125.52 1xax s LEU 8 Ca 0.13 0.17 0.01 0.00 0.05 0.00 0.00 54.13 54.49 1xax s LEU 8 Cb -0.14 -2.19 0.02 0.00 -2.05 0.00 0.00 46.19 41.83 1xax s LEU 8 CO -0.18 0.30 -0.01 0.00 -0.55 0.00 0.00 176.35 175.91 1xax s GLN 9 N -1.55 0.31 0.56 1.48 -2.07 0.03 -4.68 119.66 113.74 1xax s GLN 9 Ca 0.21 0.03 -0.16 0.00 -1.82 0.00 0.00 55.36 53.62 1xax s GLN 9 Cb -0.12 -0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 31.30 1xax s GLN 9 CO 0.11 -0.09 1.02 -1.50 -1.32 0.00 0.00 175.29 173.52 1xax s ILE 10 N 0.79 4.20 -0.22 3.63 1.10 -1.26 -0.49 121.20 128.94 1xax s ILE 10 Ca -0.08 1.02 0.17 0.00 -0.51 0.00 0.00 60.65 61.26 1xax s ILE 10 Cb -0.11 -3.56 0.47 0.00 0.15 0.00 0.00 42.46 39.40 1xax s ILE 10 CO -0.01 -0.63 1.16 0.00 -2.11 0.00 0.00 174.94 173.34 1xax n ALA 11 N -1.89 3.39 -2.32 1.50 0.00 -0.34 -4.88 120.51 115.97 1xax n ALA 11 Ca 0.08 -3.06 -0.16 0.00 0.00 0.00 0.00 53.44 50.30 1xax n ALA 11 Cb 0.53 -0.63 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 1xax n ALA 11 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xax s THR 12 N -3.33 1.42 -0.04 0.00 -4.23 -1.26 -4.68 115.64 103.52 1xax s THR 12 Ca 0.37 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1xax s THR 12 Cb 0.36 -1.88 -0.17 0.00 1.34 0.00 0.00 72.50 72.15 1xax s THR 12 CO -0.04 -0.64 0.92 -0.08 -0.54 0.00 0.00 174.62 174.24 1xax h GLU 13 N 2.79 0.00 -1.95 3.99 4.22 -2.03 -3.47 114.58 118.14 1xax h GLU 13 Ca -0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.07 1xax h GLU 13 Cb 1.20 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.24 1xax h GLU 13 CO 0.61 0.54 0.11 -0.80 -2.18 0.00 0.00 179.01 177.30 1xax s ASN 14 N -6.18 -0.81 0.35 1.04 0.01 -1.26 -5.18 114.94 102.91 1xax s ASN 14 Ca -0.02 1.41 0.02 0.00 -0.71 0.00 0.00 52.86 53.56 1xax s ASN 14 Cb 0.09 1.38 -0.01 0.00 0.41 0.00 0.00 41.25 43.12 1xax s ASN 14 CO 0.81 -0.23 0.41 2.30 -1.51 0.00 0.00 177.10 178.88 1xax n ILE 15 N 3.49 0.00 0.10 0.60 -6.64 -1.26 -5.05 119.36 110.60 1xax n ILE 15 Ca -0.17 -2.07 -0.05 0.00 -1.77 0.00 0.00 62.75 58.69 1xax n ILE 15 Cb 0.57 1.16 0.05 0.00 -1.44 0.00 0.00 39.64 39.98 1xax n ILE 15 CO 0.00 0.00 0.00 -0.08 -1.77 0.00 0.00 176.55 174.70 1xax h GLU 16 N 0.00 0.08 -1.16 6.28 4.57 -2.02 -3.42 114.58 118.90 1xax h GLU 16 Ca -0.26 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1xax h GLU 16 Cb 1.20 0.02 -0.23 0.00 -0.16 0.00 0.00 28.75 29.59 1xax h GLU 16 CO 0.36 0.81 -0.41 0.20 -1.18 0.00 0.00 179.01 178.79 1xax s GLY 17 N -4.52 -1.11 -0.15 1.92 0.00 -1.26 -5.12 107.32 97.09 1xax s GLY 17 Ca -0.02 0.88 -0.29 0.00 0.00 0.00 0.00 44.72 45.29 1xax s GLY 17 CO 0.80 3.54 2.14 -0.10 0.00 0.00 0.00 173.10 179.48 1xax n LEU 18 N 5.40 3.46 -4.56 0.66 -0.00 -1.26 -4.83 117.00 115.86 1xax n LEU 18 Ca 0.04 0.44 -0.14 0.00 -0.00 0.00 0.00 56.01 56.35 1xax n LEU 18 Cb 0.53 -1.52 -0.08 0.00 -0.00 0.00 0.00 43.42 42.35 1xax n LEU 18 CO -0.05 -0.42 1.19 -2.16 -0.00 0.00 0.00 177.39 175.96 1xax s PRO 19 N 5.73 1.54 0.10 1.96 0.04 -1.26 -4.90 135.00 138.21 1xax s PRO 19 Ca 0.98 0.28 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1xax s PRO 19 Cb -0.41 -4.83 -0.08 0.00 0.04 0.00 0.00 34.50 29.22 1xax s PRO 19 CO 0.39 -4.64 1.45 0.95 0.04 0.00 0.00 177.00 175.19 1xax s THR 20 N 15.12 3.21 0.11 1.26 -4.23 -1.26 -4.76 115.64 125.08 1xax s THR 20 Ca 0.90 0.82 -0.19 0.00 -1.18 0.00 0.00 61.69 62.03 1xax s THR 20 Cb -0.11 -3.52 -0.06 0.00 1.34 0.00 0.00 72.50 70.14 1xax s THR 20 CO 0.10 0.05 1.66 1.05 -0.54 0.00 0.00 174.62 176.93 1xax h GLU 21 N 7.12 0.37 -0.40 3.99 -0.00 -1.91 -1.93 114.58 121.84 1xax h GLU 21 Ca -0.42 -0.06 0.08 0.00 -0.00 0.00 0.00 59.36 58.96 1xax h GLU 21 Cb 1.20 -0.06 -0.09 0.00 -0.00 0.00 0.00 28.75 29.80 1xax h GLU 21 CO 0.89 0.39 -0.33 0.93 -0.00 0.00 0.00 179.01 180.89 1xax h GLU 22 N 0.27 -0.25 0.74 1.06 4.39 -1.97 1.27 114.58 120.10 1xax h GLU 22 Ca 0.09 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1xax h GLU 22 Cb 0.15 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1xax h GLU 22 CO -0.01 -0.17 -0.36 0.37 -1.16 0.00 0.00 179.01 177.69 1xax h GLN 23 N -0.26 -0.96 0.34 2.33 4.15 -1.95 0.89 115.11 119.64 1xax h GLN 23 Ca 0.17 0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 1xax h GLN 23 Cb 0.54 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1xax h GLN 23 CO -0.54 -0.64 -0.30 0.82 -1.93 0.00 0.00 178.83 176.24 1xax h ILE 24 N -1.04 0.00 -0.37 2.39 2.04 -1.12 0.92 117.51 120.34 1xax h ILE 24 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1xax h ILE 24 Cb 0.76 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 1xax h ILE 24 CO 0.17 0.00 -0.44 0.58 0.00 0.00 0.00 178.15 178.46 1xax h VAL 25 N -0.62 0.11 -0.35 1.67 2.07 0.15 0.17 116.25 119.45 1xax h VAL 25 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xax h VAL 25 Cb 0.53 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xax h VAL 25 CO -0.01 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.20 1xax h GLN 26 N -0.35 0.47 0.13 1.57 4.15 -0.77 1.12 115.11 121.43 1xax h GLN 26 Ca 0.12 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1xax h GLN 26 Cb 0.59 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 1xax h GLN 26 CO -0.55 0.32 -0.44 2.35 -1.93 0.00 0.00 178.83 178.58 1xax h TRP 27 N 0.48 -1.27 0.00 3.99 -0.00 0.20 0.16 115.95 119.51 1xax h TRP 27 Ca 0.13 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1xax h TRP 27 Cb -0.05 0.54 0.00 0.00 -0.00 0.00 0.00 29.16 29.65 1xax h TRP 27 CO -0.05 -0.50 0.00 0.00 -0.00 0.00 0.00 178.44 177.89 1xax n ALA 28 N -2.84 0.00 -0.31 2.65 0.00 0.49 -3.10 120.51 117.40 1xax n ALA 28 Ca -0.07 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1xax n ALA 28 Cb 0.35 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.04 1xax n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xax h THR 29 N 0.00 0.75 -0.47 0.00 2.02 -0.41 -1.40 112.91 113.41 1xax h THR 29 Ca 0.00 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1xax h THR 29 Cb 0.00 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 1xax h THR 29 CO 0.00 0.13 0.27 1.23 0.37 0.00 0.00 175.52 177.52 1xax h GLY 30 N 0.69 0.65 1.71 2.16 0.00 0.38 0.35 103.07 109.02 1xax h GLY 30 Ca 0.49 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.64 1xax h GLY 30 CO -0.35 0.16 0.13 0.00 0.00 0.00 0.00 176.54 176.48 1xax h ALA 31 N 1.22 1.40 0.00 3.60 0.00 0.06 0.02 119.26 125.55 1xax h ALA 31 Ca 0.19 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1xax h ALA 31 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xax h ALA 31 CO -0.10 -0.16 -1.45 0.28 0.00 0.00 0.00 179.25 177.83 1xax n VAL 32 N -3.39 1.20 -0.29 0.00 0.31 -0.07 -4.35 118.33 111.73 1xax n VAL 32 Ca -0.01 -0.70 0.03 0.00 -0.01 0.00 0.00 64.34 63.65 1xax n VAL 32 Cb 0.21 -0.74 0.10 0.00 -0.91 0.00 0.00 33.84 32.50 1xax n VAL 32 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1xax h GLN 33 N 0.00 -0.00 -1.43 5.55 7.50 0.85 -0.75 115.11 126.83 1xax h GLN 33 Ca -0.17 0.00 0.45 0.00 0.50 0.00 0.00 58.65 59.42 1xax h GLN 33 Cb 1.61 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 29.04 1xax h GLN 33 CO 0.05 -0.00 0.98 -2.30 -1.50 0.00 0.00 178.83 176.06 1xax n PRO 34 N -5.53 -0.02 -0.09 1.46 -0.01 -1.26 -0.65 135.00 128.90 1xax n PRO 34 Ca 0.12 0.99 -0.13 0.00 -0.01 0.00 0.00 63.50 64.47 1xax n PRO 34 Cb 0.42 -2.11 -0.07 0.00 -0.01 0.00 0.00 33.50 31.73 1xax n PRO 34 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1xax h GLU 35 N 0.00 0.00 -0.30 -0.52 4.57 -1.45 -3.51 114.58 113.37 1xax h GLU 35 Ca 0.77 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.95 1xax h GLU 35 Cb 2.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.40 1xax h GLU 35 CO -0.20 0.51 0.00 0.41 -1.18 0.00 0.00 179.01 178.54 1xax n GLY 36 N 1.53 0.21 2.88 1.92 0.00 0.17 -5.09 105.19 106.81 1xax n GLY 36 Ca -0.19 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1xax n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xax s ASN 37 N 0.00 0.97 -0.28 1.61 0.01 -1.26 -4.72 114.94 111.27 1xax s ASN 37 Ca 0.00 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 1xax s ASN 37 Cb 0.00 -0.44 -0.02 0.00 0.41 0.00 0.00 41.25 41.20 1xax s ASN 37 CO 0.00 -0.06 1.68 -0.70 -1.51 0.00 0.00 177.10 176.51 1xax s GLU 38 N 0.98 3.58 0.13 -0.60 2.12 -1.25 0.70 118.70 124.36 1xax s GLU 38 Ca -0.10 1.52 -0.25 0.00 0.36 0.00 0.00 54.97 56.50 1xax s GLU 38 Cb -0.14 -4.11 0.07 0.00 0.26 0.00 0.00 34.13 30.21 1xax s GLU 38 CO -0.00 -1.55 0.74 0.14 -0.54 0.00 0.00 175.26 174.04 1xax s VAL 39 N 5.94 0.00 -0.27 3.70 -7.23 0.77 -4.42 120.40 118.88 1xax s VAL 39 Ca 0.75 -0.23 -0.01 0.00 -1.81 0.00 0.00 61.98 60.68 1xax s VAL 39 Cb -0.23 -1.27 0.13 0.00 0.56 0.00 0.00 36.38 35.57 1xax s VAL 39 CO 0.32 0.00 0.30 -1.83 -0.31 0.00 0.00 175.10 173.57 1xax s GLU 40 N -3.55 0.31 -0.10 4.82 -1.05 -1.19 0.21 118.70 118.15 1xax s GLU 40 Ca 0.05 -0.02 -0.03 0.00 -0.15 0.00 0.00 54.97 54.82 1xax s GLU 40 Cb -0.02 -0.71 -0.03 0.00 -0.44 0.00 0.00 34.13 32.93 1xax s GLU 40 CO -0.07 -0.94 0.00 -1.64 0.95 0.00 0.00 175.26 173.56 1xax s MET 41 N 2.38 3.17 -0.54 -4.83 -1.94 0.26 -1.64 119.30 116.15 1xax s MET 41 Ca 0.09 -0.42 0.04 0.00 -1.71 0.00 0.00 55.69 53.69 1xax s MET 41 Cb -0.14 -2.84 0.15 0.00 2.01 0.00 0.00 34.83 34.00 1xax s MET 41 CO -0.28 0.60 0.33 0.99 -0.01 0.00 0.00 175.02 176.65 1xax s THR 42 N -0.60 2.06 0.19 2.05 2.01 0.50 -0.06 115.64 121.79 1xax s THR 42 Ca 0.10 -3.29 -0.27 0.00 0.31 0.00 0.00 61.69 58.53 1xax s THR 42 Cb -0.12 -2.40 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 1xax s THR 42 CO 0.02 -0.94 0.85 -0.69 -0.69 0.00 0.00 174.62 173.17 1xax s VAL 43 N -0.40 4.28 -0.27 3.82 1.01 0.13 0.83 120.40 129.80 1xax s VAL 43 Ca 0.21 1.87 -0.00 0.00 0.00 0.00 0.00 61.98 64.06 1xax s VAL 43 Cb -0.16 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.08 1xax s VAL 43 CO -0.07 0.49 0.05 -0.13 0.00 0.00 0.00 175.10 175.44 1xax s ARG 44 N -1.04 0.98 -0.59 2.72 0.52 0.12 -0.79 118.95 120.87 1xax s ARG 44 Ca 0.39 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.39 1xax s ARG 44 Cb -0.24 -2.27 0.09 0.00 0.52 0.00 0.00 34.95 33.05 1xax s ARG 44 CO 0.29 -0.83 0.74 -1.50 0.02 0.00 0.00 175.30 174.02 1xax s ILE 45 N 1.54 4.73 0.15 1.52 2.07 0.35 -0.35 121.20 131.22 1xax s ILE 45 Ca 0.04 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 58.51 1xax s ILE 45 Cb -0.18 -4.50 -0.04 0.00 0.13 0.00 0.00 42.46 37.87 1xax s ILE 45 CO -0.16 -1.14 -0.03 0.54 -1.91 0.00 0.00 174.94 172.24 1xax s VAL 46 N 2.94 0.73 0.88 4.00 0.11 0.84 -1.20 120.40 128.70 1xax s VAL 46 Ca 0.14 -1.98 -0.12 0.00 -2.93 0.00 0.00 61.98 57.09 1xax s VAL 46 Cb -0.22 -1.98 0.19 0.00 -1.53 0.00 0.00 36.38 32.84 1xax s VAL 46 CO 0.08 -0.61 0.43 -0.67 -3.33 0.00 0.00 175.10 171.00 1xax n ASP 47 N -0.18 -2.93 -0.01 3.54 -0.08 -1.26 -3.79 116.55 111.84 1xax n ASP 47 Ca -0.08 -0.43 -0.18 0.00 -1.51 0.00 0.00 54.79 52.58 1xax n ASP 47 Cb 0.62 -0.64 -0.14 0.00 2.34 0.00 0.00 41.12 43.31 1xax n ASP 47 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xax h GLU 48 N 0.00 0.16 0.56 -0.67 4.81 -1.97 -2.71 114.58 114.76 1xax h GLU 48 Ca -0.19 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1xax h GLU 48 Cb 0.65 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1xax h GLU 48 CO 0.12 1.13 -0.41 0.00 -0.73 0.00 0.00 179.01 179.11 1xax h ALA 49 N -0.02 -0.99 -0.39 2.92 0.00 -1.98 0.76 119.26 119.56 1xax h ALA 49 Ca -0.13 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1xax h ALA 49 Cb 1.40 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 1xax h ALA 49 CO 0.05 -1.08 0.21 0.93 0.00 0.00 0.00 179.25 179.36 1xax h GLU 50 N -0.94 0.42 0.24 0.00 4.39 -1.94 0.13 114.58 116.87 1xax h GLU 50 Ca -0.06 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xax h GLU 50 Cb 0.79 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1xax h GLU 50 CO 0.02 0.28 -0.18 1.03 -1.16 0.00 0.00 179.01 178.99 1xax h SER 51 N 0.43 -0.47 -0.17 1.42 0.87 -1.28 0.85 113.55 115.20 1xax h SER 51 Ca 0.16 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1xax h SER 51 Cb 0.05 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 1xax h SER 51 CO -0.10 -0.28 -0.07 0.45 -0.53 0.00 0.00 176.83 176.30 1xax h HIS 52 N -0.43 -0.16 -0.67 2.24 3.86 0.81 0.18 115.15 120.98 1xax h HIS 52 Ca -0.01 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1xax h HIS 52 Cb 0.38 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 1xax h HIS 52 CO -0.12 -0.12 0.19 0.93 0.86 0.00 0.00 177.93 179.68 1xax h GLU 53 N -0.05 1.05 -0.72 2.45 5.08 -0.55 -2.61 114.58 119.23 1xax h GLU 53 Ca 0.09 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1xax h GLU 53 Cb 0.18 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1xax h GLU 53 CO -0.21 0.91 0.36 -0.07 -1.00 0.00 0.00 179.01 179.00 1xax h LEU 54 N 1.01 0.91 0.63 1.33 3.38 0.16 0.17 115.31 122.89 1xax h LEU 54 Ca 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xax h LEU 54 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xax h LEU 54 CO -0.00 0.76 -0.44 -1.13 0.09 0.00 0.00 178.44 177.72 1xax h ASN 55 N 1.01 -1.15 -0.36 -0.43 -1.24 -0.27 0.56 115.58 113.69 1xax h ASN 55 Ca 0.25 0.07 -0.08 0.00 0.71 0.00 0.00 56.30 57.25 1xax h ASN 55 Cb 0.08 0.35 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 1xax h ASN 55 CO -0.03 -0.65 -0.09 -0.07 -1.29 0.00 0.00 177.43 175.30 1xax h LEU 56 N -1.02 0.70 -2.45 0.34 4.07 -1.49 0.68 115.31 116.14 1xax h LEU 56 Ca -0.08 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1xax h LEU 56 Cb 0.84 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1xax h LEU 56 CO 0.05 0.90 0.00 0.00 -1.08 0.00 0.00 178.44 178.31 1xax h THR 57 N 0.49 0.00 0.02 0.22 1.03 -0.64 -0.12 112.91 113.92 1xax h THR 57 Ca 0.09 -0.05 -0.31 0.00 -0.01 0.00 0.00 66.41 66.13 1xax h THR 57 Cb 0.60 0.94 -0.04 0.00 -1.07 0.00 0.00 68.15 68.57 1xax h THR 57 CO 0.04 0.00 -1.68 -1.22 -0.01 0.00 0.00 175.52 172.64 1xax n TYR 58 N -2.88 0.84 0.00 0.00 4.01 0.18 -4.88 117.16 114.43 1xax n TYR 58 Ca -0.02 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 1xax n TYR 58 Cb 0.09 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.03 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1xax n ARG 59 N -4.18 0.44 -0.02 -0.72 0.00 0.18 -5.07 116.66 107.30 1xax n ARG 59 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.48 1xax n ARG 59 Cb 0.80 -0.58 0.00 0.00 -0.00 0.00 0.00 32.46 32.68 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xax n GLY 60 N 1.21 1.54 2.57 2.89 0.00 -0.09 -4.95 105.19 108.37 1xax n GLY 60 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1xax n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xax s LYS 61 N -0.59 0.81 0.42 1.61 0.00 -1.26 -4.89 119.74 115.85 1xax s LYS 61 Ca 0.00 -1.54 0.07 0.00 0.00 0.00 0.00 55.97 54.50 1xax s LYS 61 Cb 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 37.83 36.06 1xax s LYS 61 CO 0.00 -1.18 0.04 0.16 0.00 0.00 0.00 175.35 174.37 1xax s ASP 62 N 0.87 3.98 0.06 0.03 -4.77 -1.26 -4.76 116.67 110.82 1xax s ASP 62 Ca 0.17 -1.35 -0.28 0.00 -3.30 0.00 0.00 52.55 47.79 1xax s ASP 62 Cb -0.23 -0.33 0.09 0.00 -1.09 0.00 0.00 42.92 41.37 1xax s ASP 62 CO -0.02 -0.50 1.13 -0.13 0.70 0.00 0.00 175.17 176.35 1xax s ARG 63 N -3.76 0.77 -0.37 2.11 0.52 -1.26 -5.04 118.95 111.93 1xax s ARG 63 Ca 0.33 -0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 54.92 1xax s ARG 63 Cb 0.08 0.26 -0.20 0.00 0.52 0.00 0.00 34.95 35.61 1xax s ARG 63 CO 0.17 -0.35 1.67 -0.35 0.02 0.00 0.00 175.30 176.46 1xax n PRO 64 N -0.47 0.76 -4.13 3.54 -0.04 -1.26 -4.84 135.00 128.55 1xax n PRO 64 Ca -0.07 -1.26 -0.30 0.00 -0.04 0.00 0.00 63.50 61.83 1xax n PRO 64 Cb 0.62 -2.55 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1xax n PRO 64 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1xax s THR 65 N 5.57 4.09 0.25 0.52 -1.32 -1.26 -5.01 115.64 118.49 1xax s THR 65 Ca 0.50 -0.92 0.18 0.00 -1.21 0.00 0.00 61.69 60.24 1xax s THR 65 Cb 0.12 -2.94 0.14 0.00 -1.51 0.00 0.00 72.50 68.31 1xax s THR 65 CO 0.17 0.15 1.80 -1.13 -2.21 0.00 0.00 174.62 173.39 1xax h ASN 66 N 3.51 0.00 -3.64 8.08 -1.24 -1.98 -3.43 115.58 116.87 1xax h ASN 66 Ca -0.48 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.43 1xax h ASN 66 Cb 1.17 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.97 1xax h ASN 66 CO 0.60 0.35 -0.21 0.68 -1.29 0.00 0.00 177.43 177.56 1xax s VAL 67 N -3.82 -0.01 0.45 2.57 -7.23 -1.26 -4.43 120.40 106.67 1xax s VAL 67 Ca -0.01 0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 59.99 1xax s VAL 67 Cb 0.12 -0.64 -0.10 0.00 0.56 0.00 0.00 36.38 36.32 1xax s VAL 67 CO 0.68 0.01 0.95 -0.76 -0.31 0.00 0.00 175.10 175.68 1xax s LEU 68 N 0.67 3.87 -0.03 1.32 1.02 0.13 -4.91 118.68 120.75 1xax s LEU 68 Ca -0.04 1.65 -0.00 0.00 0.02 0.00 0.00 54.13 55.77 1xax s LEU 68 Cb -0.05 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.66 1xax s LEU 68 CO -0.05 -0.41 0.01 -0.55 0.02 0.00 0.00 176.35 175.38 1xax s SER 69 N -2.39 0.63 -0.62 2.29 0.15 -1.26 0.72 113.70 113.22 1xax s SER 69 Ca 0.61 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 1xax s SER 69 Cb -0.09 -0.22 0.16 0.00 -1.71 0.00 0.00 66.02 64.16 1xax s SER 69 CO 0.17 -0.13 0.52 -0.36 1.20 0.00 0.00 173.24 174.64 1xax s PHE 70 N 1.29 3.50 0.62 3.44 0.08 0.12 -4.95 117.98 122.09 1xax s PHE 70 Ca -0.06 -2.01 -0.13 0.00 0.12 0.00 0.00 56.93 54.85 1xax s PHE 70 Cb -0.13 -3.58 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 1xax s PHE 70 CO -0.02 -0.96 1.04 -1.25 -0.10 0.00 0.00 175.22 173.92 1xax s PRO 71 N 0.73 3.38 -0.04 0.24 0.04 -1.26 -0.34 135.00 137.74 1xax s PRO 71 Ca 0.11 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1xax s PRO 71 Cb -0.21 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1xax s PRO 71 CO -0.03 -0.75 1.59 0.12 0.04 0.00 0.00 177.00 177.97 1xax s PHE 72 N -2.89 2.22 -0.84 0.56 2.19 -1.26 -4.83 117.98 113.13 1xax s PHE 72 Ca 0.58 0.36 -0.23 0.00 0.33 0.00 0.00 56.93 57.97 1xax s PHE 72 Cb -0.13 -3.85 -0.20 0.00 -1.31 0.00 0.00 43.02 37.53 1xax s PHE 72 CO 0.47 -3.49 2.45 -1.91 1.83 0.00 0.00 175.22 174.57 1xax n GLU 73 N 6.67 0.34 -3.41 10.12 2.13 -1.26 -4.80 120.64 130.42 1xax n GLU 73 Ca 0.16 -0.15 -0.26 0.00 0.66 0.00 0.00 57.16 57.57 1xax n GLU 73 Cb 0.43 -2.22 -0.08 0.00 0.27 0.00 0.00 31.44 29.84 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax h PRO 75 N 4.43 0.00 -0.96 0.00 0.13 -2.03 -2.33 132.00 131.24 1xax h PRO 75 Ca 0.16 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.69 1xax h PRO 75 Cb 0.77 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.51 1xax h PRO 75 CO 0.66 0.22 -0.27 -0.25 -0.23 0.00 0.00 178.00 178.13 1xax n ASP 76 N -3.74 5.78 -0.02 1.44 9.92 -1.26 -5.03 116.55 123.63 1xax n ASP 76 Ca -0.01 -3.76 -0.00 0.00 -0.53 0.00 0.00 54.79 50.48 1xax n ASP 76 Cb 0.33 -0.56 -0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1xax n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1xax n GLU 77 N -0.73 0.00 -0.97 -1.24 1.02 -0.88 -4.85 120.64 112.99 1xax n GLU 77 Ca 0.49 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.58 1xax n GLU 77 Cb 0.82 -0.01 0.03 0.00 -0.02 0.00 0.00 31.44 32.26 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1xax n VAL 78 N 0.03 0.00 -3.61 2.62 0.24 -1.26 -4.70 118.33 111.65 1xax n VAL 78 Ca 0.00 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.34 61.59 1xax n VAL 78 Cb 0.00 -1.34 -0.07 0.00 -1.47 0.00 0.00 33.84 30.96 1xax n VAL 78 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xax s GLU 79 N -3.04 3.02 -0.05 7.34 2.02 -1.26 -4.68 118.70 122.04 1xax s GLU 79 Ca 0.15 -2.76 -0.07 0.00 0.02 0.00 0.00 54.97 52.30 1xax s GLU 79 Cb -0.01 -3.95 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1xax s GLU 79 CO 0.10 -1.22 0.19 -0.48 0.02 0.00 0.00 175.26 173.86 1xax s LEU 80 N -0.43 1.31 0.14 1.80 -0.00 -1.26 -4.82 118.68 115.41 1xax s LEU 80 Ca 0.21 0.21 -0.31 0.00 -0.00 0.00 0.00 54.13 54.23 1xax s LEU 80 Cb -0.15 0.71 -0.09 0.00 -0.00 0.00 0.00 46.19 46.66 1xax s LEU 80 CO -0.07 -0.18 1.51 -2.84 -0.00 0.00 0.00 176.35 174.78 1xax s PRO 81 N -0.40 4.25 0.00 1.48 0.02 -1.26 -4.73 135.00 134.36 1xax s PRO 81 Ca -0.05 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1xax s PRO 81 Cb -0.03 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1xax s PRO 81 CO 0.01 -0.56 0.00 1.47 -0.33 0.00 0.00 177.00 177.59 1xax n LEU 82 N 4.11 0.00 0.00 -5.54 -0.00 -1.26 -4.76 117.00 109.55 1xax n LEU 82 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1xax n LEU 82 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1xax n LEU 82 CO 0.61 0.00 -0.33 0.18 -0.00 0.00 0.00 177.39 177.84 1xax n LEU 83 N 0.00 0.00 0.00 1.47 7.99 -0.65 -4.71 117.00 121.10 1xax n LEU 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1xax n LEU 83 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1xax n LEU 83 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 1xax n GLY 84 N 1.79 -0.98 3.46 -0.72 0.00 -0.89 -4.60 105.19 103.25 1xax n GLY 84 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1xax n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xax s ASP 85 N -4.00 3.77 0.23 1.61 1.11 0.54 -0.37 116.67 119.56 1xax s ASP 85 Ca 0.00 -0.54 0.06 0.00 0.18 0.00 0.00 52.55 52.25 1xax s ASP 85 Cb 0.00 -0.52 -0.05 0.00 1.07 0.00 0.00 42.92 43.42 1xax s ASP 85 CO 0.00 0.20 -0.08 -0.22 1.18 0.00 0.00 175.17 176.25 1xax s LEU 86 N -1.90 2.45 -0.22 1.23 2.96 0.24 0.16 118.68 123.62 1xax s LEU 86 Ca 0.16 -1.12 -0.04 0.00 -0.22 0.00 0.00 54.13 52.91 1xax s LEU 86 Cb -0.10 -0.54 0.07 0.00 0.50 0.00 0.00 46.19 46.12 1xax s LEU 86 CO 0.08 -0.32 0.10 -0.69 -1.32 0.00 0.00 176.35 174.19 1xax s VAL 87 N -3.12 0.02 0.26 1.68 1.01 0.22 0.11 120.40 120.58 1xax s VAL 87 Ca 0.26 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1xax s VAL 87 Cb 0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1xax s VAL 87 CO 0.08 -0.43 -0.01 -0.63 0.00 0.00 0.00 175.10 174.11 1xax s ILE 88 N 2.08 3.46 -0.18 2.22 1.01 0.53 0.21 121.20 130.53 1xax s ILE 88 Ca 0.04 -1.88 -0.05 0.00 0.00 0.00 0.00 60.65 58.76 1xax s ILE 88 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1xax s ILE 88 CO -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 174.94 174.40 1xax n ARG 90 N 3.72 0.59 -0.03 0.00 1.85 -1.26 -3.11 116.66 118.43 1xax n ARG 90 Ca -0.17 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.51 1xax n ARG 90 Cb 0.52 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 1xax n ARG 90 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1xax n GLN 91 N -1.20 0.71 -0.03 2.89 6.02 -1.26 -3.45 117.38 121.06 1xax n GLN 91 Ca 0.17 0.23 -0.18 0.00 -0.01 0.00 0.00 57.00 57.22 1xax n GLN 91 Cb 0.20 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.64 1xax n GLN 91 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1xax h VAL 92 N 0.04 1.51 -0.26 5.09 3.04 -1.95 -2.85 116.25 120.87 1xax h VAL 92 Ca -0.43 -2.38 -0.08 0.00 -1.01 0.00 0.00 66.70 62.79 1xax h VAL 92 Cb 2.02 3.10 -0.01 0.00 -2.01 0.00 0.00 31.29 34.40 1xax h VAL 92 CO 0.05 0.61 -0.16 -0.37 -1.01 0.00 0.00 177.57 176.69 1xax h VAL 93 N -0.75 1.30 -0.60 1.51 -1.51 -1.78 0.27 116.25 114.69 1xax h VAL 93 Ca -0.12 -1.28 -0.03 0.00 -1.23 0.00 0.00 66.70 64.04 1xax h VAL 93 Cb 1.30 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 32.01 1xax h VAL 93 CO 0.02 0.40 0.25 -0.08 -1.23 0.00 0.00 177.57 176.93 1xax h GLU 94 N 0.29 0.87 -0.07 5.19 4.81 -1.73 0.31 114.58 124.26 1xax h GLU 94 Ca 0.05 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1xax h GLU 94 Cb 0.69 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.92 1xax h GLU 94 CO 0.05 0.70 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.57 1xax h ARG 95 N 0.86 0.37 -0.70 1.92 9.65 -1.37 0.30 114.38 125.42 1xax h ARG 95 Ca 0.21 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1xax h ARG 95 Cb 0.15 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1xax h ARG 95 CO -0.02 0.95 0.38 1.49 2.80 0.00 0.00 179.97 185.57 1xax h GLU 96 N -0.12 0.98 -0.14 0.20 4.81 -0.19 0.36 114.58 120.48 1xax h GLU 96 Ca -0.03 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 1xax h GLU 96 Cb 1.02 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.22 1xax h GLU 96 CO 0.08 0.73 -0.65 0.00 -0.73 0.00 0.00 179.01 178.44 1xax h ALA 97 N 1.19 0.27 -0.30 2.92 0.00 -0.41 0.33 119.26 123.26 1xax h ALA 97 Ca 0.25 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1xax h ALA 97 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xax h ALA 97 CO -0.04 0.55 -0.07 1.03 0.00 0.00 0.00 179.25 180.73 1xax h SER 98 N 0.37 0.45 0.56 0.00 0.87 -0.13 -1.21 113.55 114.46 1xax h SER 98 Ca -0.04 -0.10 -0.28 0.00 -1.23 0.00 0.00 61.79 60.13 1xax h SER 98 Cb 1.29 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1xax h SER 98 CO 0.14 0.57 -1.45 -0.08 -0.53 0.00 0.00 176.83 175.47 1xax h GLU 99 N 0.45 0.16 0.00 2.24 4.81 -0.26 -3.28 114.58 118.70 1xax h GLU 99 Ca 0.09 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1xax h GLU 99 Cb 0.40 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1xax h GLU 99 CO 0.02 1.00 0.00 1.96 -0.73 0.00 0.00 179.01 181.26 1xax h GLN 100 N 0.04 0.00 -3.94 1.92 1.08 -0.07 -3.47 115.11 110.68 1xax h GLN 100 Ca -0.20 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.81 1xax h GLN 100 Cb 1.97 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 29.49 1xax h GLN 100 CO 0.14 0.00 -0.41 -1.91 -0.95 0.00 0.00 178.83 175.70 1xax n GLU 101 N -3.05 -3.66 -4.33 1.46 0.00 -0.48 -5.05 120.64 105.53 1xax n GLU 101 Ca 0.01 0.46 -0.17 0.00 0.00 0.00 0.00 57.16 57.45 1xax n GLU 101 Cb 0.29 -4.32 -0.10 0.00 0.00 0.00 0.00 31.44 27.31 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xax s LYS 102 N -4.83 1.33 -0.11 5.31 3.01 -1.09 -5.08 119.74 118.27 1xax s LYS 102 Ca 0.03 -1.67 -0.29 0.00 -1.01 0.00 0.00 55.97 53.03 1xax s LYS 102 Cb -0.01 -0.63 -0.04 0.00 -1.01 0.00 0.00 37.83 36.13 1xax s LYS 102 CO 0.39 -0.08 1.62 -1.25 0.51 0.00 0.00 175.35 176.54 1xax s PRO 103 N -3.85 4.06 0.61 -1.68 0.04 -1.26 -4.74 135.00 128.18 1xax s PRO 103 Ca 0.28 2.00 0.32 0.00 0.04 0.00 0.00 61.00 63.64 1xax s PRO 103 Cb 0.05 -3.99 1.85 0.00 0.04 0.00 0.00 34.50 32.46 1xax s PRO 103 CO 0.08 -0.98 2.19 -0.07 0.04 0.00 0.00 177.00 178.26 1xax h LEU 104 N 10.68 0.00 0.13 -3.56 3.38 -1.99 -2.95 115.31 121.00 1xax h LEU 104 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1xax h LEU 104 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1xax h LEU 104 CO 0.97 0.00 -0.33 0.24 0.09 0.00 0.00 178.44 179.41 1xax h MET 105 N 0.00 -0.49 -0.15 1.13 2.86 -2.02 -1.86 114.93 114.40 1xax h MET 105 Ca 0.04 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1xax h MET 105 Cb 0.26 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xax h MET 105 CO -0.00 -0.33 0.02 0.00 1.06 0.00 0.00 176.91 177.66 1xax h ALA 106 N -0.99 1.75 0.08 6.32 0.00 -1.94 -2.97 119.26 121.52 1xax h ALA 106 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xax h ALA 106 Cb 0.49 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1xax h ALA 106 CO -0.15 0.19 -0.39 1.25 0.00 0.00 0.00 179.25 180.16 1xax h HIS 107 N 0.21 -1.07 0.03 0.00 6.17 -1.26 0.17 115.15 119.39 1xax h HIS 107 Ca 0.05 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.18 1xax h HIS 107 Cb 0.12 0.46 -0.02 0.00 2.52 0.00 0.00 27.41 30.49 1xax h HIS 107 CO 0.00 -0.48 -0.11 -1.49 0.71 0.00 0.00 177.93 176.56 1xax h TRP 108 N -0.59 -0.29 -0.04 5.26 6.55 -1.21 1.05 115.95 126.67 1xax h TRP 108 Ca 0.03 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.90 1xax h TRP 108 Cb 0.64 0.13 -0.05 0.00 -0.86 0.00 0.00 29.16 29.02 1xax h TRP 108 CO -0.36 -0.17 -0.43 0.00 -1.05 0.00 0.00 178.44 176.42 1xax h ALA 109 N 0.74 -0.84 -0.78 1.49 0.00 -1.37 0.10 119.26 118.59 1xax h ALA 109 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xax h ALA 109 Cb 0.25 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1xax h ALA 109 CO -0.10 -0.98 0.52 1.25 0.00 0.00 0.00 179.25 179.94 1xax h HIS 110 N -0.51 0.99 0.17 0.00 -0.00 -0.54 -2.82 115.15 112.43 1xax h HIS 110 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1xax h HIS 110 Cb 0.57 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 1xax h HIS 110 CO -0.51 0.62 -0.32 0.52 -0.00 0.00 0.00 177.93 178.24 1xax h MET 111 N 1.06 -0.51 -0.51 5.26 2.07 0.25 0.19 114.93 122.74 1xax h MET 111 Ca 0.29 0.03 0.10 0.00 -2.07 0.00 0.00 59.70 58.05 1xax h MET 111 Cb -0.12 0.12 -0.10 0.00 -1.87 0.00 0.00 31.60 29.62 1xax h MET 111 CO -0.06 -0.34 -0.26 0.28 1.07 0.00 0.00 176.91 177.60 1xax h VAL 112 N -0.53 0.28 -0.01 -2.22 2.07 -0.75 0.53 116.25 115.63 1xax h VAL 112 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1xax h VAL 112 Cb 0.50 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1xax h VAL 112 CO -0.12 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.06 1xax h VAL 113 N -0.14 0.31 0.06 2.57 2.07 -1.24 0.11 116.25 119.99 1xax h VAL 113 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 1xax h VAL 113 Cb 0.50 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xax h VAL 113 CO -0.59 0.00 -0.03 1.12 0.02 0.00 0.00 177.57 178.09 1xax h HIS 114 N 0.00 -0.07 -0.00 1.57 2.07 0.32 -3.09 115.15 115.94 1xax h HIS 114 Ca 0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xax h HIS 114 Cb 0.03 0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1xax h HIS 114 CO 0.00 0.52 -0.03 0.41 -3.07 0.00 0.00 177.93 175.76 1xax n GLY 115 N 1.00 -0.81 0.09 6.13 0.00 -0.69 -2.54 105.19 108.38 1xax n GLY 115 Ca -0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1xax n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xax n SER 116 N -0.78 1.84 0.03 1.61 3.41 0.34 -3.90 113.62 116.18 1xax n SER 116 Ca 0.19 0.49 -0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1xax n SER 116 Cb 0.22 -0.93 -0.13 0.00 -0.26 0.00 0.00 64.21 63.11 1xax n SER 116 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xax h LEU 117 N -1.00 0.08 -1.08 1.04 6.46 -1.68 -3.24 115.31 115.89 1xax h LEU 117 Ca -0.24 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1xax h LEU 117 Cb 1.04 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1xax h LEU 117 CO -0.15 1.10 -0.04 -0.74 -0.62 0.00 0.00 178.44 177.99 1xax h HIS 118 N 0.01 0.00 0.00 1.25 2.76 -1.70 0.28 115.15 117.76 1xax h HIS 118 Ca -0.15 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1xax h HIS 118 Cb 1.90 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.86 1xax h HIS 118 CO 0.01 0.04 -1.35 -0.11 -1.30 0.00 0.00 177.93 175.22 1xax n LEU 119 N -3.14 0.51 0.01 0.26 0.00 -1.25 -4.78 117.00 108.61 1xax n LEU 119 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 56.01 56.16 1xax n LEU 119 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.75 1xax n LEU 119 CO 0.30 -0.07 -0.11 0.00 0.00 0.00 0.00 177.39 177.51 1xax n LEU 120 N -2.37 0.01 -0.41 -1.96 -0.00 -1.17 -5.01 117.00 106.09 1xax n LEU 120 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1xax n LEU 120 Cb 0.53 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1xax n LEU 120 CO 0.42 -0.42 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1xax n GLY 121 N 1.88 0.55 0.36 1.47 0.00 0.97 -4.93 105.19 105.49 1xax n GLY 121 Ca 0.00 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.56 1xax n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xax h TYR 122 N 0.00 0.00 0.00 1.61 0.05 -1.84 -2.84 116.97 113.95 1xax h TYR 122 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1xax h TYR 122 Cb 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1xax h TYR 122 CO 0.00 0.00 -0.05 -3.47 -1.05 0.00 0.00 178.16 173.59 1xax n ASP 123 N -2.99 4.17 0.00 3.88 -0.08 -1.26 -4.53 116.55 115.74 1xax n ASP 123 Ca 0.02 -2.14 0.00 0.00 -1.51 0.00 0.00 54.79 51.16 1xax n ASP 123 Cb 0.63 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1xax n ASP 123 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xax n HIS 124 N 1.85 0.00 -0.74 -0.67 1.44 -1.08 -4.88 115.22 111.14 1xax n HIS 124 Ca 0.08 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.49 1xax n HIS 124 Cb 0.47 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.77 1xax n HIS 124 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1xax s ILE 125 N -0.11 2.19 -0.44 0.61 -0.00 -1.26 -4.96 121.20 117.22 1xax s ILE 125 Ca 0.00 0.06 0.08 0.00 -0.00 0.00 0.00 60.65 60.79 1xax s ILE 125 Cb 0.00 -2.19 0.22 0.00 -0.00 0.00 0.00 42.46 40.49 1xax s ILE 125 CO 0.00 -0.08 1.17 -1.84 -0.00 0.00 0.00 174.94 174.19 1xax n GLU 126 N -4.43 2.79 0.00 0.37 0.28 -1.26 -3.55 120.64 114.85 1xax n GLU 126 Ca 0.08 -1.98 0.00 0.00 -0.16 0.00 0.00 57.16 55.09 1xax n GLU 126 Cb 0.53 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 32.15 1xax n GLU 126 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xax n ASP 127 N -0.13 0.00 0.00 -1.84 9.92 -1.26 -4.70 116.55 118.54 1xax n ASP 127 Ca 0.09 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 1xax n ASP 127 Cb 0.43 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xax n ASP 127 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1xax n ASP 128 N -2.07 0.00 -0.33 -2.24 2.03 -1.26 -4.54 116.55 108.14 1xax n ASP 128 Ca 0.00 0.01 0.26 0.00 0.52 0.00 0.00 54.79 55.58 1xax n ASP 128 Cb 0.00 -0.17 0.48 0.00 -0.72 0.00 0.00 41.12 40.71 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1xax h GLU 129 N 0.00 0.00 0.00 -0.67 4.57 -1.85 0.69 114.58 117.32 1xax h GLU 129 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xax h GLU 129 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xax h GLU 129 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1xax n ALA 130 N -2.59 -0.12 -0.07 2.92 0.00 -1.23 0.15 120.51 119.57 1xax n ALA 130 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 1xax n ALA 130 Cb 1.10 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 20.70 1xax n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xax h GLU 131 N 0.00 0.29 0.36 0.00 4.81 -1.70 0.31 114.58 118.64 1xax h GLU 131 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xax h GLU 131 Cb 0.00 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1xax h GLU 131 CO 0.00 0.19 -0.43 1.49 -0.73 0.00 0.00 179.01 179.53 1xax h GLU 132 N 0.30 -0.80 -0.55 1.92 4.81 -0.85 0.26 114.58 119.67 1xax h GLU 132 Ca 0.10 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1xax h GLU 132 Cb 0.01 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1xax h GLU 132 CO -0.06 -0.53 0.20 1.98 -0.73 0.00 0.00 179.01 179.87 1xax h MET 133 N -0.83 0.81 0.89 1.92 4.05 0.15 0.34 114.93 122.26 1xax h MET 133 Ca -0.03 -0.13 -0.04 0.00 -0.28 0.00 0.00 59.70 59.22 1xax h MET 133 Cb 0.75 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 31.42 1xax h MET 133 CO -0.11 0.68 -0.43 0.93 0.23 0.00 0.00 176.91 178.22 1xax h GLU 134 N 0.80 -1.15 -0.50 0.39 5.08 0.14 0.43 114.58 119.76 1xax h GLU 134 Ca 0.19 0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1xax h GLU 134 Cb 0.19 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1xax h GLU 134 CO -0.01 -0.77 0.31 1.03 -1.00 0.00 0.00 179.01 178.56 1xax h SER 135 N -1.20 0.60 0.68 1.42 0.87 -0.42 0.25 113.55 115.76 1xax h SER 135 Ca -0.12 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 1xax h SER 135 Cb 0.92 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1xax h SER 135 CO 0.20 0.48 -0.50 0.25 -0.53 0.00 0.00 176.83 176.73 1xax h LEU 136 N 0.67 -1.30 -0.90 2.23 7.12 -0.27 0.27 115.31 123.14 1xax h LEU 136 Ca 0.18 0.09 0.03 0.00 0.13 0.00 0.00 57.88 58.31 1xax h LEU 136 Cb -0.02 0.40 -0.05 0.00 -0.53 0.00 0.00 40.66 40.46 1xax h LEU 136 CO -0.03 -0.72 0.58 -0.08 -0.13 0.00 0.00 178.44 178.05 1xax h GLU 137 N -1.13 1.09 -0.27 1.25 4.81 -0.07 -0.93 114.58 119.33 1xax h GLU 137 Ca -0.09 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1xax h GLU 137 Cb 0.93 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1xax h GLU 137 CO 0.04 0.72 0.07 1.15 -0.73 0.00 0.00 179.01 180.27 1xax h THR 138 N 1.13 1.13 0.02 0.32 2.02 -0.21 0.32 112.91 117.64 1xax h THR 138 Ca 0.36 -0.44 -0.24 0.00 0.77 0.00 0.00 66.41 66.86 1xax h THR 138 Cb 0.00 0.84 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1xax h THR 138 CO -0.12 0.16 -1.00 -0.61 0.37 0.00 0.00 175.52 174.32 1xax h GLN 139 N 0.38 0.42 0.08 6.66 4.15 0.79 0.35 115.11 127.93 1xax h GLN 139 Ca 0.09 -0.48 -0.26 0.00 0.77 0.00 0.00 58.65 58.77 1xax h GLN 139 Cb 0.14 0.14 0.01 0.00 0.21 0.00 0.00 27.48 27.98 1xax h GLN 139 CO -0.01 1.15 -1.12 0.82 -1.93 0.00 0.00 178.83 177.74 1xax h ILE 140 N 0.22 1.41 0.00 2.39 2.04 -0.77 -1.76 117.51 121.05 1xax h ILE 140 Ca -0.09 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.10 1xax h ILE 140 Cb 1.65 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 1xax h ILE 140 CO 0.17 0.79 -0.27 0.24 0.00 0.00 0.00 178.15 179.09 1xax h MET 141 N 0.18 0.00 0.00 2.37 2.86 -0.44 -3.38 114.93 116.52 1xax h MET 141 Ca -0.12 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1xax h MET 141 Cb 1.79 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.44 1xax h MET 141 CO 0.19 0.00 -0.26 0.37 1.06 0.00 0.00 176.91 178.28 1xax h GLN 142 N -0.93 0.00 -0.16 1.72 4.15 -0.47 -2.80 115.11 116.62 1xax h GLN 142 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.47 1xax h GLN 142 Cb 0.27 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1xax h GLN 142 CO 0.00 0.26 0.16 0.78 -1.93 0.00 0.00 178.83 178.10 1xax h GLY 143 N 1.31 0.00 0.10 2.39 0.00 -1.10 -2.92 103.07 102.86 1xax h GLY 143 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 1xax h GLY 143 CO 0.03 0.00 -2.26 1.04 0.00 0.00 0.00 176.54 175.35 1xax n LEU 144 N -3.94 2.46 -1.44 3.11 4.77 -1.07 -5.05 117.00 115.83 1xax n LEU 144 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1xax n LEU 144 Cb 0.28 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1xax n LEU 144 CO 0.29 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1xax n GLY 145 N 1.79 -0.36 0.56 -0.72 0.00 -1.10 -5.16 105.19 100.19 1xax n GLY 145 Ca -0.45 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.45 1xax n GLY 145 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29