#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 4.78 -0.15 0.44 0.11 -0.89 -0.00 120.40 124.69 1xax s VAL 4 Ca 0.00 -1.35 -0.11 0.00 -2.93 0.00 0.00 61.98 57.59 1xax s VAL 4 Cb 0.00 -4.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.14 1xax s VAL 4 CO 0.00 -1.36 0.21 -0.22 -3.33 0.00 0.00 175.10 170.39 1xax s LEU 5 N 2.63 4.29 -0.02 2.54 2.96 0.11 -4.89 118.68 126.31 1xax s LEU 5 Ca 0.25 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 1xax s LEU 5 Cb -0.12 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1xax s LEU 5 CO -0.03 0.23 -0.18 0.54 -1.32 0.00 0.00 176.35 175.59 1xax s VAL 6 N -0.11 1.47 -0.12 1.68 0.11 -1.26 0.15 120.40 122.32 1xax s VAL 6 Ca 0.14 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1xax s VAL 6 Cb -0.12 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 1xax s VAL 6 CO 0.03 0.42 -0.00 -0.62 -3.33 0.00 0.00 175.10 171.59 1xax s ASP 7 N -0.29 5.14 -0.39 3.54 -1.08 0.98 -4.92 116.67 119.65 1xax s ASP 7 Ca 0.04 0.04 0.01 0.00 -0.52 0.00 0.00 52.55 52.12 1xax s ASP 7 Cb -0.09 -1.65 0.13 0.00 -1.46 0.00 0.00 42.92 39.85 1xax s ASP 7 CO 0.00 0.27 0.20 -0.22 0.52 0.00 0.00 175.17 175.95 1xax s LEU 8 N -0.26 2.22 0.06 -1.34 1.98 -1.23 0.48 118.68 120.60 1xax s LEU 8 Ca 0.06 -2.31 0.07 0.00 -2.89 0.00 0.00 54.13 49.06 1xax s LEU 8 Cb -0.12 -0.86 -0.04 0.00 0.66 0.00 0.00 46.19 45.83 1xax s LEU 8 CO 0.02 -0.31 -0.14 0.00 -1.89 0.00 0.00 176.35 174.03 1xax s GLN 9 N 0.79 2.12 -0.04 1.98 -2.07 0.16 -4.54 119.66 118.05 1xax s GLN 9 Ca 0.16 -0.98 0.03 0.00 -1.82 0.00 0.00 55.36 52.75 1xax s GLN 9 Cb -0.23 -2.26 -0.03 0.00 -1.09 0.00 0.00 33.01 29.41 1xax s GLN 9 CO -0.05 0.53 -0.11 0.42 -1.32 0.00 0.00 175.29 174.76 1xax s ILE 10 N -1.04 3.35 0.00 3.63 -1.09 -1.26 -0.64 121.20 124.15 1xax s ILE 10 Ca 0.17 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1xax s ILE 10 Cb -0.11 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1xax s ILE 10 CO 0.08 0.53 0.69 0.00 -1.23 0.00 0.00 174.94 175.02 1xax n ALA 11 N 2.07 1.39 -1.34 9.38 0.00 0.29 -4.92 120.51 127.38 1xax n ALA 11 Ca -0.17 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.30 1xax n ALA 11 Cb 0.52 -0.19 0.16 0.00 0.00 0.00 0.00 19.45 19.94 1xax n ALA 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1xax s THR 12 N 0.00 2.04 -0.15 0.00 -1.32 -1.23 -4.65 115.64 110.32 1xax s THR 12 Ca 0.00 0.01 0.12 0.00 -1.21 0.00 0.00 61.69 60.62 1xax s THR 12 Cb 0.00 -2.62 -0.18 0.00 -1.51 0.00 0.00 72.50 68.18 1xax s THR 12 CO 0.00 -0.02 0.03 1.21 -2.21 0.00 0.00 174.62 173.64 1xax n GLU 13 N -3.99 1.42 -3.67 7.08 2.13 -1.26 -4.98 120.64 117.37 1xax n GLU 13 Ca 0.06 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 1xax n GLU 13 Cb 0.58 -1.39 -0.09 0.00 0.27 0.00 0.00 31.44 30.81 1xax n GLU 13 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1xax s ASN 14 N -4.96 -0.50 0.27 4.31 0.01 -1.26 -5.17 114.94 107.64 1xax s ASN 14 Ca -0.09 1.06 -0.00 0.00 -0.71 0.00 0.00 52.86 53.11 1xax s ASN 14 Cb 0.05 1.20 0.00 0.00 0.41 0.00 0.00 41.25 42.91 1xax s ASN 14 CO 0.61 -0.22 0.35 2.30 -1.51 0.00 0.00 177.10 178.63 1xax n ILE 15 N 4.84 0.00 -1.56 0.60 -6.64 -1.26 -5.04 119.36 110.30 1xax n ILE 15 Ca -0.16 -1.43 -0.29 0.00 -1.77 0.00 0.00 62.75 59.10 1xax n ILE 15 Cb 0.53 0.85 -0.05 0.00 -1.44 0.00 0.00 39.64 39.53 1xax n ILE 15 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 1xax n GLU 16 N -0.45 2.72 0.00 6.28 2.13 -1.26 -4.81 120.64 125.25 1xax n GLU 16 Ca 0.01 -2.49 0.00 0.00 0.66 0.00 0.00 57.16 55.35 1xax n GLU 16 Cb 0.45 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.95 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xax n GLY 17 N 1.03 2.06 3.57 8.31 0.00 -1.26 -4.97 105.19 113.93 1xax n GLY 17 Ca 0.51 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1xax n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xax n LEU 18 N 0.00 3.01 -4.66 0.99 7.99 -1.26 -4.92 117.00 118.14 1xax n LEU 18 Ca 0.00 0.17 -0.37 0.00 -0.01 0.00 0.00 56.01 55.80 1xax n LEU 18 Cb 0.00 -1.51 0.06 0.00 -0.11 0.00 0.00 43.42 41.86 1xax n LEU 18 CO 0.00 -0.77 0.69 -2.65 -1.51 0.00 0.00 177.39 173.16 1xax n PRO 19 N 8.71 1.00 -4.69 3.23 -0.02 -1.26 -5.01 135.00 136.96 1xax n PRO 19 Ca 0.32 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 1xax n PRO 19 Cb 0.42 -2.32 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 1xax n PRO 19 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xax s THR 20 N -1.46 3.04 0.09 3.45 -4.23 -1.26 -4.95 115.64 110.32 1xax s THR 20 Ca 0.78 -0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 1xax s THR 20 Cb -0.40 -2.28 -0.15 0.00 1.34 0.00 0.00 72.50 71.01 1xax s THR 20 CO 0.44 0.52 1.72 1.05 -0.54 0.00 0.00 174.62 177.82 1xax h GLU 21 N 6.85 0.02 -0.61 3.99 4.11 -1.95 -2.23 114.58 124.75 1xax h GLU 21 Ca -0.27 -0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.26 1xax h GLU 21 Cb 1.21 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.34 1xax h GLU 21 CO 0.56 0.03 -0.34 1.05 0.07 0.00 0.00 179.01 180.38 1xax h GLU 22 N 0.00 -0.15 0.81 1.06 4.11 -1.95 1.79 114.58 120.24 1xax h GLU 22 Ca 0.01 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 1xax h GLU 22 Cb 0.02 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xax h GLU 22 CO -0.00 -0.10 -0.39 0.37 0.07 0.00 0.00 179.01 178.96 1xax h GLN 23 N -0.16 -1.04 0.54 1.06 -0.00 -1.96 0.16 115.11 113.71 1xax h GLN 23 Ca 0.24 0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.94 1xax h GLN 23 Cb 0.55 0.24 -0.01 0.00 0.00 0.00 0.00 27.48 28.26 1xax h GLN 23 CO -0.70 -0.69 -0.45 0.82 0.00 0.00 0.00 178.83 177.81 1xax h ILE 24 N -1.15 0.00 -0.19 2.39 2.04 -0.99 0.61 117.51 120.22 1xax h ILE 24 Ca -0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1xax h ILE 24 Cb 0.83 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 1xax h ILE 24 CO 0.18 0.00 -0.44 0.58 0.00 0.00 0.00 178.15 178.47 1xax h VAL 25 N -0.97 0.12 -0.33 1.67 2.07 0.27 0.24 116.25 119.33 1xax h VAL 25 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xax h VAL 25 Cb 0.81 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1xax h VAL 25 CO -0.00 0.00 0.15 -0.61 0.02 0.00 0.00 177.57 177.13 1xax h GLN 26 N -0.47 0.31 0.35 1.57 5.75 -0.61 0.99 115.11 123.01 1xax h GLN 26 Ca 0.08 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1xax h GLN 26 Cb 0.62 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1xax h GLN 26 CO -0.44 0.21 -0.43 2.35 -2.65 0.00 0.00 178.83 177.87 1xax h TRP 27 N 0.32 -1.19 0.00 3.99 2.91 0.10 0.13 115.95 122.21 1xax h TRP 27 Ca 0.14 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1xax h TRP 27 Cb 0.06 0.47 0.00 0.00 -0.51 0.00 0.00 29.16 29.19 1xax h TRP 27 CO -0.11 -0.55 0.00 0.00 -1.03 0.00 0.00 178.44 176.76 1xax n ALA 28 N -2.75 -0.03 -0.35 2.65 0.00 0.78 -3.07 120.51 117.74 1xax n ALA 28 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1xax n ALA 28 Cb 0.38 0.00 0.21 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 1.04 -0.99 0.00 2.02 -0.21 -1.63 112.91 113.13 1xax h THR 29 Ca 0.00 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.88 1xax h THR 29 Cb 0.00 -0.15 -0.07 0.00 -1.74 0.00 0.00 68.15 66.19 1xax h THR 29 CO 0.00 0.20 0.64 1.23 0.37 0.00 0.00 175.52 177.96 1xax h GLY 30 N 1.09 1.53 1.69 2.16 0.00 0.35 0.82 103.07 110.70 1xax h GLY 30 Ca 0.44 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xax h GLY 30 CO -0.19 0.31 0.18 0.00 0.00 0.00 0.00 176.54 176.85 1xax h ALA 31 N 1.46 1.74 -0.01 3.60 0.00 -0.48 -1.37 119.26 124.21 1xax h ALA 31 Ca 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1xax h ALA 31 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xax h ALA 31 CO -0.18 0.23 -0.26 1.55 0.00 0.00 0.00 179.25 180.58 1xax n VAL 32 N -4.47 0.00 0.24 0.00 3.14 -0.24 -4.41 118.33 112.60 1xax n VAL 32 Ca 0.02 -0.19 -0.16 0.00 -2.96 0.00 0.00 64.34 61.05 1xax n VAL 32 Cb 0.08 0.66 -0.08 0.00 -1.06 0.00 0.00 33.84 33.45 1xax n VAL 32 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1xax h GLN 33 N 1.82 -0.68 -0.89 1.45 1.08 0.28 -1.19 115.11 116.97 1xax h GLN 33 Ca 0.00 0.05 0.22 0.00 -1.45 0.00 0.00 58.65 57.47 1xax h GLN 33 Cb 0.59 0.16 -0.17 0.00 -0.05 0.00 0.00 27.48 28.01 1xax h GLN 33 CO 0.00 -0.45 -0.06 -2.30 -0.95 0.00 0.00 178.83 175.07 1xax n PRO 34 N -5.44 -0.07 -2.07 1.46 -0.01 -1.26 -0.27 135.00 127.34 1xax n PRO 34 Ca -0.10 1.35 -0.26 0.00 -0.01 0.00 0.00 63.50 64.48 1xax n PRO 34 Cb 0.34 -2.11 0.02 0.00 -0.01 0.00 0.00 33.50 31.74 1xax n PRO 34 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1xax n GLU 35 N -5.35 3.45 -4.21 -0.52 2.13 -1.15 -5.03 120.64 109.96 1xax n GLU 35 Ca 0.19 -4.15 -0.35 0.00 0.66 0.00 0.00 57.16 53.51 1xax n GLU 35 Cb 0.61 -2.27 -0.09 0.00 0.27 0.00 0.00 31.44 29.96 1xax n GLU 35 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1xax s GLY 36 N -3.33 1.91 0.66 8.31 0.00 0.63 -4.91 107.32 110.60 1xax s GLY 36 Ca 0.52 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1xax s GLY 36 CO -0.04 -0.36 0.91 1.16 0.00 0.00 0.00 173.10 174.77 1xax n ASN 37 N 2.53 1.36 -4.62 1.64 6.94 -1.26 -4.45 115.26 117.40 1xax n ASN 37 Ca -0.18 -2.11 -0.43 0.00 -0.02 0.00 0.00 54.58 51.84 1xax n ASN 37 Cb 0.53 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 37.35 1xax n ASN 37 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1xax s GLU 38 N -4.86 3.49 0.19 -3.83 2.12 -1.26 -2.10 118.70 112.44 1xax s GLU 38 Ca 0.61 1.89 -0.17 0.00 0.36 0.00 0.00 54.97 57.66 1xax s GLU 38 Cb -0.04 -4.22 0.03 0.00 0.26 0.00 0.00 34.13 30.16 1xax s GLU 38 CO 0.40 -1.68 0.51 0.14 -0.54 0.00 0.00 175.26 174.09 1xax s VAL 39 N 6.66 0.03 -0.31 3.70 -7.23 1.00 -4.63 120.40 119.62 1xax s VAL 39 Ca 0.87 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 1xax s VAL 39 Cb -0.30 -1.52 0.11 0.00 0.56 0.00 0.00 36.38 35.23 1xax s VAL 39 CO 0.34 -0.14 0.14 -1.61 -0.31 0.00 0.00 175.10 173.52 1xax s GLU 40 N -3.86 0.48 -0.66 4.82 2.02 -1.25 0.08 118.70 120.32 1xax s GLU 40 Ca 0.08 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 1xax s GLU 40 Cb -0.01 -1.53 0.17 0.00 0.10 0.00 0.00 34.13 32.87 1xax s GLU 40 CO -0.04 -1.04 0.53 1.41 0.02 0.00 0.00 175.26 176.14 1xax s MET 41 N 1.69 2.91 0.22 1.61 1.75 0.12 -1.91 119.30 125.69 1xax s MET 41 Ca 0.11 -2.34 -0.18 0.00 -1.25 0.00 0.00 55.69 52.03 1xax s MET 41 Cb -0.18 -4.02 -0.08 0.00 2.84 0.00 0.00 34.83 33.39 1xax s MET 41 CO -0.26 -1.22 0.69 0.99 -0.65 0.00 0.00 175.02 174.57 1xax s THR 42 N 0.32 4.65 -0.17 10.11 2.01 0.17 -0.01 115.64 132.72 1xax s THR 42 Ca 0.15 1.14 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 1xax s THR 42 Cb -0.18 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.58 1xax s THR 42 CO -0.05 0.16 0.42 -0.69 -0.69 0.00 0.00 174.62 173.77 1xax s VAL 43 N -1.57 -0.01 -0.01 3.82 1.01 0.18 -1.19 120.40 122.62 1xax s VAL 43 Ca 0.43 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1xax s VAL 43 Cb -0.15 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 1xax s VAL 43 CO 0.20 0.02 -0.09 0.00 0.00 0.00 0.00 175.10 175.23 1xax s ARG 44 N 0.85 0.74 -0.09 2.72 1.70 0.13 -0.67 118.95 124.33 1xax s ARG 44 Ca -0.05 -0.34 0.04 0.00 -0.47 0.00 0.00 55.73 54.91 1xax s ARG 44 Cb -0.06 -0.71 -0.00 0.00 -0.57 0.00 0.00 34.95 33.61 1xax s ARG 44 CO -0.07 0.19 -0.24 0.96 -1.08 0.00 0.00 175.30 175.07 1xax s ILE 45 N -0.25 2.08 0.03 4.99 -4.36 0.19 -0.68 121.20 123.20 1xax s ILE 45 Ca 0.03 -1.02 -0.27 0.00 -0.26 0.00 0.00 60.65 59.12 1xax s ILE 45 Cb -0.04 -1.78 0.09 0.00 1.25 0.00 0.00 42.46 41.99 1xax s ILE 45 CO -0.00 0.56 0.82 0.54 0.24 0.00 0.00 174.94 177.09 1xax s VAL 46 N 0.23 0.00 1.06 8.37 0.11 0.62 -0.55 120.40 130.24 1xax s VAL 46 Ca -0.15 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.70 1xax s VAL 46 Cb -0.17 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1xax s VAL 46 CO 0.08 0.00 -0.39 -0.67 -3.33 0.00 0.00 175.10 170.79 1xax n ASP 47 N -0.24 -2.78 0.29 3.54 2.03 -1.26 -3.90 116.55 114.23 1xax n ASP 47 Ca -0.11 -0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.08 1xax n ASP 47 Cb 0.62 -0.86 -0.06 0.00 -0.72 0.00 0.00 41.12 40.10 1xax n ASP 47 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1xax h GLU 48 N -1.65 -0.76 -0.58 -0.67 5.08 -1.94 -2.58 114.58 111.49 1xax h GLU 48 Ca -0.48 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1xax h GLU 48 Cb 1.35 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 30.68 1xax h GLU 48 CO 0.32 -0.51 -0.03 0.00 -1.00 0.00 0.00 179.01 177.79 1xax h ALA 49 N -1.22 0.53 0.43 3.43 0.00 -1.94 0.14 119.26 120.62 1xax h ALA 49 Ca -0.08 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1xax h ALA 49 Cb 0.61 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xax h ALA 49 CO 0.13 -0.40 -0.39 1.49 0.00 0.00 0.00 179.25 180.09 1xax h GLU 50 N 0.09 -0.77 0.17 0.00 4.57 -1.92 0.33 114.58 117.05 1xax h GLU 50 Ca 0.30 0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1xax h GLU 50 Cb 0.47 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 1xax h GLU 50 CO -0.52 -0.52 -0.43 0.66 -1.18 0.00 0.00 179.01 177.03 1xax h SER 51 N -0.80 -1.25 -0.46 1.04 4.64 -1.13 0.68 113.55 116.26 1xax h SER 51 Ca -0.06 0.13 0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1xax h SER 51 Cb 0.68 0.46 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1xax h SER 51 CO -0.02 -0.51 -0.18 0.45 -0.87 0.00 0.00 176.83 175.70 1xax h HIS 52 N -0.70 -0.45 -0.76 4.77 3.86 -0.69 0.35 115.15 121.54 1xax h HIS 52 Ca 0.01 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1xax h HIS 52 Cb 0.70 0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 1xax h HIS 52 CO -0.35 -0.27 0.46 0.93 0.86 0.00 0.00 177.93 179.56 1xax h GLU 53 N -0.08 1.03 0.58 2.45 5.08 0.13 0.15 114.58 123.91 1xax h GLU 53 Ca 0.22 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1xax h GLU 53 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xax h GLU 53 CO -0.52 0.73 -0.45 1.25 -1.00 0.00 0.00 179.01 179.02 1xax h LEU 54 N 1.04 -1.18 0.32 1.33 7.12 0.28 1.00 115.31 125.22 1xax h LEU 54 Ca 0.27 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.35 1xax h LEU 54 Cb -0.03 0.37 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1xax h LEU 54 CO -0.05 -0.65 -0.18 0.78 -0.13 0.00 0.00 178.44 178.21 1xax h ASN 55 N -1.00 -0.45 0.36 1.25 2.35 -0.28 -2.85 115.58 114.96 1xax h ASN 55 Ca -0.07 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1xax h ASN 55 Cb 0.84 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1xax h ASN 55 CO 0.01 -0.30 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.25 1xax h LEU 56 N -0.47 -0.41 -1.81 1.61 4.07 -0.66 0.20 115.31 117.84 1xax h LEU 56 Ca -0.04 -0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.05 1xax h LEU 56 Cb 0.39 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1xax h LEU 56 CO 0.04 -0.25 0.58 0.00 -1.08 0.00 0.00 178.44 177.74 1xax h THR 57 N -0.54 0.28 0.00 0.22 1.03 0.11 0.11 112.91 114.12 1xax h THR 57 Ca -0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.30 1xax h THR 57 Cb 0.41 0.53 -0.01 0.00 -1.07 0.00 0.00 68.15 68.00 1xax h THR 57 CO 0.08 0.00 -1.71 0.00 -0.01 0.00 0.00 175.52 173.88 1xax n TYR 58 N -3.58 0.00 0.00 0.00 0.18 -1.05 -4.89 117.16 107.83 1xax n TYR 58 Ca 0.10 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.88 1xax n TYR 58 Cb 0.78 -0.40 0.00 0.00 -0.38 0.00 0.00 39.34 39.34 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67 1xax n ARG 59 N -2.11 0.00 -0.17 -3.48 -4.01 0.67 -5.08 116.66 102.49 1xax n ARG 59 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 1xax n ARG 59 Cb 0.50 -0.34 0.00 0.00 -3.04 0.00 0.00 32.46 29.58 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1xax n GLY 60 N 0.27 0.61 0.00 2.89 0.00 0.28 -4.93 105.19 104.30 1xax n GLY 60 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xax n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xax n LYS 61 N -0.10 -0.33 0.00 1.61 5.02 -1.25 -4.86 118.16 118.24 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xax n LYS 61 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xax n ASP 62 N -1.75 0.00 -4.08 4.39 2.03 -1.26 -4.82 116.55 111.06 1xax n ASP 62 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1xax n ASP 62 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xax n ARG 63 N 0.00 0.93 -0.30 -0.67 1.74 -1.26 -4.93 116.66 112.16 1xax n ARG 63 Ca 0.00 -3.02 0.00 0.00 -0.77 0.00 0.00 57.85 54.06 1xax n ARG 63 Cb 0.00 0.95 0.00 0.00 -1.02 0.00 0.00 32.46 32.39 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xax n PRO 64 N -1.00 0.00 -3.28 5.56 -0.01 -1.26 -4.80 135.00 130.22 1xax n PRO 64 Ca -0.15 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 62.96 1xax n PRO 64 Cb 0.53 -0.30 -0.06 0.00 -0.01 0.00 0.00 33.50 33.65 1xax n PRO 64 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 1xax s THR 65 N 0.19 4.75 -0.11 3.45 2.01 -1.26 -4.98 115.64 119.69 1xax s THR 65 Ca 0.00 1.11 0.16 0.00 0.31 0.00 0.00 61.69 63.27 1xax s THR 65 Cb 0.00 -3.85 -0.20 0.00 0.01 0.00 0.00 72.50 68.47 1xax s THR 65 CO 0.00 0.42 0.62 -0.46 -0.69 0.00 0.00 174.62 174.52 1xax n ASN 66 N 1.33 0.65 -3.00 3.53 6.94 -1.26 -4.64 115.26 118.82 1xax n ASN 66 Ca -0.08 0.30 -0.17 0.00 -0.02 0.00 0.00 54.58 54.61 1xax n ASN 66 Cb 0.51 0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 38.29 1xax n ASN 66 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1xax n VAL 67 N -2.86 -0.38 -2.84 3.53 0.31 -1.26 -3.68 118.33 111.15 1xax n VAL 67 Ca -0.15 -2.96 -0.34 0.00 -0.01 0.00 0.00 64.34 60.87 1xax n VAL 67 Cb 0.94 -0.41 -0.07 0.00 -0.91 0.00 0.00 33.84 33.39 1xax n VAL 67 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1xax s LEU 68 N -1.08 4.08 0.13 7.52 2.96 -0.62 -4.89 118.68 126.77 1xax s LEU 68 Ca 0.34 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 1xax s LEU 68 Cb 0.20 -4.32 -0.04 0.00 0.50 0.00 0.00 46.19 42.53 1xax s LEU 68 CO -0.16 -0.25 0.01 -0.44 -1.32 0.00 0.00 176.35 174.19 1xax s SER 69 N -2.01 0.71 -0.66 3.68 0.01 -1.26 0.16 113.70 114.33 1xax s SER 69 Ca 0.57 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.72 1xax s SER 69 Cb -0.12 0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.47 1xax s SER 69 CO 0.17 -0.63 0.45 -0.36 0.41 0.00 0.00 173.24 173.28 1xax s PHE 70 N -3.86 3.46 0.39 2.43 0.08 0.11 -4.82 117.98 115.77 1xax s PHE 70 Ca 0.20 -3.13 -0.24 0.00 0.12 0.00 0.00 56.93 53.87 1xax s PHE 70 Cb 0.07 -2.91 -0.10 0.00 -0.57 0.00 0.00 43.02 39.51 1xax s PHE 70 CO -0.00 -0.69 1.00 -1.25 -0.10 0.00 0.00 175.22 174.18 1xax s PRO 71 N -0.82 4.28 1.33 0.24 0.04 -1.26 -0.38 135.00 138.44 1xax s PRO 71 Ca 0.21 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 1xax s PRO 71 Cb -0.15 -2.53 0.33 0.00 0.04 0.00 0.00 34.50 32.20 1xax s PRO 71 CO -0.08 -0.01 1.02 -0.59 0.04 0.00 0.00 177.00 177.38 1xax s PHE 72 N -1.76 -0.23 1.01 0.56 -0.71 -1.26 -4.92 117.98 110.67 1xax s PHE 72 Ca 0.57 0.49 -0.19 0.00 -1.04 0.00 0.00 56.93 56.76 1xax s PHE 72 Cb -0.18 -3.19 -0.07 0.00 -1.21 0.00 0.00 43.02 38.36 1xax s PHE 72 CO 0.23 -4.52 -0.57 0.39 -1.34 0.00 0.00 175.22 169.41 1xax n GLU 73 N -5.25 -0.36 -3.48 1.99 1.02 -1.26 -4.96 120.64 108.35 1xax n GLU 73 Ca 0.14 -0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 56.92 1xax n GLU 73 Cb 0.60 -1.32 -0.09 0.00 -0.02 0.00 0.00 31.44 30.61 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xax n PRO 75 N 1.47 1.52 0.00 0.00 -0.02 -1.26 -5.04 135.00 131.68 1xax n PRO 75 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1xax n PRO 75 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1xax n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xax n ASP 76 N 0.00 0.00 -2.11 2.55 9.92 -1.26 -4.82 116.55 120.83 1xax n ASP 76 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1xax n ASP 76 Cb 0.00 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 1xax n ASP 76 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1xax n GLU 77 N -0.38 2.15 -1.66 -1.24 4.07 -1.26 -5.08 120.64 117.24 1xax n GLU 77 Ca 0.00 -3.52 -0.51 0.00 -0.06 0.00 0.00 57.16 53.06 1xax n GLU 77 Cb 0.00 -1.64 -0.06 0.00 -0.06 0.00 0.00 31.44 29.69 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1xax n VAL 78 N -0.55 0.22 -3.34 6.31 0.24 -1.26 -4.92 118.33 115.02 1xax n VAL 78 Ca 0.21 -0.04 -0.45 0.00 -2.04 0.00 0.00 64.34 62.02 1xax n VAL 78 Cb 0.89 -1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 31.88 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 2.25 2.96 -0.22 7.34 2.02 -1.26 -4.83 118.70 126.96 1xax s GLU 79 Ca 0.89 -1.62 -0.27 0.00 0.02 0.00 0.00 54.97 53.99 1xax s GLU 79 Cb -0.87 -4.24 0.11 0.00 0.10 0.00 0.00 34.13 29.23 1xax s GLU 79 CO 0.51 -1.25 0.94 -0.48 0.02 0.00 0.00 175.26 175.00 1xax s LEU 80 N 1.60 -0.50 0.40 1.80 2.34 -1.26 -5.07 118.68 118.00 1xax s LEU 80 Ca 0.03 0.82 -0.25 0.00 0.06 0.00 0.00 54.13 54.79 1xax s LEU 80 Cb -0.28 2.03 -0.08 0.00 -0.56 0.00 0.00 46.19 47.30 1xax s LEU 80 CO 0.04 -0.26 1.21 -2.16 -1.06 0.00 0.00 176.35 174.11 1xax s PRO 81 N -0.25 4.02 0.00 1.48 0.04 -1.26 -4.96 135.00 134.07 1xax s PRO 81 Ca -0.00 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1xax s PRO 81 Cb -0.03 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.81 1xax s PRO 81 CO -0.01 -0.38 0.00 1.47 0.04 0.00 0.00 177.00 178.12 1xax n LEU 82 N 0.09 0.00 0.00 -3.56 -0.00 -1.26 -4.78 117.00 107.48 1xax n LEU 82 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1xax n LEU 82 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1xax n LEU 82 CO 0.52 0.00 -0.34 0.18 -0.00 0.00 0.00 177.39 177.75 1xax n LEU 83 N 0.00 0.00 0.00 1.47 7.99 -0.83 -4.84 117.00 120.78 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 1.73 -0.64 3.52 -0.72 0.00 -0.80 -4.77 105.19 103.50 1xax n GLY 84 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.64 1xax n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xax s ASP 85 N -4.00 3.75 0.07 1.61 2.15 0.49 0.41 116.67 121.16 1xax s ASP 85 Ca 0.00 -1.04 0.03 0.00 0.43 0.00 0.00 52.55 51.97 1xax s ASP 85 Cb 0.00 -0.38 -0.03 0.00 -0.30 0.00 0.00 42.92 42.21 1xax s ASP 85 CO 0.00 -0.05 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.63 1xax s LEU 86 N -3.57 2.33 -0.43 -1.34 0.20 -0.34 0.08 118.68 115.61 1xax s LEU 86 Ca 0.31 -0.68 0.02 0.00 0.69 0.00 0.00 54.13 54.47 1xax s LEU 86 Cb -0.03 -0.30 0.15 0.00 -0.43 0.00 0.00 46.19 45.59 1xax s LEU 86 CO 0.16 -0.21 0.29 -0.69 -0.29 0.00 0.00 176.35 175.61 1xax s VAL 87 N -1.84 0.89 0.29 1.68 1.01 0.43 0.22 120.40 123.08 1xax s VAL 87 Ca -0.01 -2.53 -0.00 0.00 0.00 0.00 0.00 61.98 59.43 1xax s VAL 87 Cb -0.07 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1xax s VAL 87 CO 0.00 -1.04 0.50 -0.63 0.00 0.00 0.00 175.10 173.94 1xax s ILE 88 N 0.27 5.12 -0.09 2.22 1.01 0.14 -1.60 121.20 128.28 1xax s ILE 88 Ca 0.23 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 1xax s ILE 88 Cb -0.13 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1xax s ILE 88 CO -0.07 -0.41 0.23 0.00 0.00 0.00 0.00 174.94 174.69 1xax n ARG 90 N 2.11 0.84 -0.05 0.00 -4.01 -1.25 -3.72 116.66 110.57 1xax n ARG 90 Ca -0.18 -0.31 -0.19 0.00 -1.04 0.00 0.00 57.85 56.13 1xax n ARG 90 Cb 0.54 -1.49 -0.13 0.00 -3.04 0.00 0.00 32.46 28.34 1xax n ARG 90 CO 0.00 0.00 0.00 -0.56 -3.04 0.00 0.00 177.63 174.03 1xax h GLN 91 N 0.75 0.09 0.21 2.89 3.07 -1.94 -3.27 115.11 116.93 1xax h GLN 91 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1xax h GLN 91 Cb 0.35 0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1xax h GLN 91 CO 0.00 1.08 -0.10 0.28 0.09 0.00 0.00 178.83 180.18 1xax h VAL 92 N -0.74 0.00 -0.49 1.86 2.07 -1.95 -2.74 116.25 114.26 1xax h VAL 92 Ca -0.22 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.69 1xax h VAL 92 Cb 1.38 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1xax h VAL 92 CO -0.04 0.00 0.15 -0.37 0.02 0.00 0.00 177.57 177.32 1xax h VAL 93 N -0.97 0.80 -0.53 2.57 -1.51 -1.81 0.27 116.25 115.07 1xax h VAL 93 Ca -0.03 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1xax h VAL 93 Cb 0.22 0.46 -0.03 0.00 -2.13 0.00 0.00 31.29 29.81 1xax h VAL 93 CO 0.05 0.06 0.32 -0.08 -1.23 0.00 0.00 177.57 176.69 1xax h GLU 94 N 0.31 0.71 -0.06 5.19 4.22 -1.71 0.30 114.58 123.53 1xax h GLU 94 Ca 0.24 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.60 1xax h GLU 94 Cb 0.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xax h GLU 94 CO -0.27 0.50 -0.07 0.00 -2.18 0.00 0.00 179.01 176.99 1xax h ARG 95 N 0.73 0.16 -0.86 1.92 3.08 -0.79 0.35 114.38 118.95 1xax h ARG 95 Ca 0.19 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1xax h ARG 95 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1xax h ARG 95 CO -0.04 0.62 0.45 0.93 -1.07 0.00 0.00 179.97 180.86 1xax h GLU 96 N -0.29 1.22 -0.17 0.04 5.08 -0.09 0.30 114.58 120.66 1xax h GLU 96 Ca 0.01 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1xax h GLU 96 Cb 0.59 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1xax h GLU 96 CO 0.02 0.91 -0.57 0.00 -1.00 0.00 0.00 179.01 178.37 1xax h ALA 97 N 1.28 0.30 -0.16 3.43 0.00 -0.40 0.36 119.26 124.07 1xax h ALA 97 Ca 0.30 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1xax h ALA 97 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xax h ALA 97 CO -0.04 0.53 -0.28 0.66 0.00 0.00 0.00 179.25 180.12 1xax h SER 98 N 0.39 0.31 0.62 0.00 4.64 0.01 -2.66 113.55 116.86 1xax h SER 98 Ca -0.02 -0.10 -0.27 0.00 -0.47 0.00 0.00 61.79 60.92 1xax h SER 98 Cb 1.19 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 1xax h SER 98 CO 0.12 0.59 -1.44 -0.33 -0.87 0.00 0.00 176.83 174.90 1xax h GLU 99 N 0.28 0.10 0.00 4.77 5.08 -0.38 -3.29 114.58 121.13 1xax h GLU 99 Ca 0.04 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xax h GLU 99 Cb 0.64 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1xax h GLU 99 CO 0.05 0.89 -0.10 1.96 -1.00 0.00 0.00 179.01 180.81 1xax h GLN 100 N 0.03 0.00 -2.61 2.33 4.20 -0.10 -3.46 115.11 115.49 1xax h GLN 100 Ca -0.19 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.24 1xax h GLN 100 Cb 1.94 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.74 1xax h GLN 100 CO 0.12 0.10 -0.39 -1.91 -0.67 0.00 0.00 178.83 176.09 1xax n GLU 101 N -3.59 -2.27 -4.46 1.46 2.13 -1.02 -5.02 120.64 107.87 1xax n GLU 101 Ca -0.02 0.65 -0.23 0.00 0.66 0.00 0.00 57.16 58.21 1xax n GLU 101 Cb 0.22 -4.91 -0.10 0.00 0.27 0.00 0.00 31.44 26.92 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xax s LYS 102 N -5.02 1.65 -0.08 5.31 1.02 -1.24 -5.08 119.74 116.29 1xax s LYS 102 Ca 0.11 -1.75 -0.35 0.00 0.02 0.00 0.00 55.97 53.99 1xax s LYS 102 Cb -0.05 -1.71 -0.13 0.00 -0.52 0.00 0.00 37.83 35.43 1xax s LYS 102 CO 0.13 0.32 1.80 -2.30 -0.92 0.00 0.00 175.35 174.38 1xax n PRO 103 N -0.60 1.98 0.29 -1.68 -0.02 -1.26 -4.84 135.00 128.88 1xax n PRO 103 Ca -0.05 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.32 1xax n PRO 103 Cb 0.60 -2.53 0.97 0.00 -0.02 0.00 0.00 33.50 32.52 1xax n PRO 103 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xax h LEU 104 N 8.29 0.00 0.26 2.45 3.38 -1.98 -2.91 115.31 124.80 1xax h LEU 104 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1xax h LEU 104 Cb 1.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1xax h LEU 104 CO 0.94 0.00 -0.51 -0.03 0.09 0.00 0.00 178.44 178.92 1xax h MET 105 N 0.00 -0.81 -0.61 1.13 4.05 -2.01 -1.73 114.93 114.95 1xax h MET 105 Ca 0.02 0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 1xax h MET 105 Cb 0.11 0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.06 1xax h MET 105 CO -0.00 -0.54 0.41 0.00 0.23 0.00 0.00 176.91 177.01 1xax h ALA 106 N -0.62 1.76 -0.51 0.39 0.00 -1.91 -2.27 119.26 116.10 1xax h ALA 106 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xax h ALA 106 Cb 0.80 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1xax h ALA 106 CO -0.21 0.15 0.13 1.25 0.00 0.00 0.00 179.25 180.58 1xax h HIS 107 N 0.64 0.21 0.63 0.00 6.17 -1.34 0.20 115.15 121.66 1xax h HIS 107 Ca 0.26 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.34 1xax h HIS 107 Cb 0.21 -0.02 0.01 0.00 2.52 0.00 0.00 27.41 30.13 1xax h HIS 107 CO -0.00 0.02 -0.30 -1.49 0.71 0.00 0.00 177.93 176.87 1xax h TRP 108 N 0.27 -0.78 -0.72 5.26 6.55 -0.87 0.97 115.95 126.63 1xax h TRP 108 Ca 0.26 -0.02 0.13 0.00 0.95 0.00 0.00 58.89 60.21 1xax h TRP 108 Cb 0.33 0.26 -0.09 0.00 -0.86 0.00 0.00 29.16 28.80 1xax h TRP 108 CO -0.21 -0.46 0.28 0.00 -1.05 0.00 0.00 178.44 177.00 1xax h ALA 109 N -0.62 0.99 -0.21 1.49 0.00 -1.33 0.27 119.26 119.85 1xax h ALA 109 Ca -0.09 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1xax h ALA 109 Cb 0.68 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xax h ALA 109 CO 0.14 -0.20 -0.60 1.25 0.00 0.00 0.00 179.25 179.84 1xax h HIS 110 N 0.44 1.01 0.51 0.00 2.76 -0.49 -3.08 115.15 116.29 1xax h HIS 110 Ca 0.39 -0.40 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1xax h HIS 110 Cb 0.57 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1xax h HIS 110 CO -0.17 1.22 -0.27 0.52 -1.30 0.00 0.00 177.93 177.92 1xax h MET 111 N 0.51 -0.70 -0.58 5.26 2.07 0.22 0.11 114.93 121.82 1xax h MET 111 Ca -0.02 0.05 0.11 0.00 -2.07 0.00 0.00 59.70 57.78 1xax h MET 111 Cb 1.22 0.16 -0.09 0.00 -1.87 0.00 0.00 31.60 31.02 1xax h MET 111 CO 0.13 -0.47 0.06 -0.39 1.07 0.00 0.00 176.91 177.31 1xax h VAL 112 N -0.73 0.58 -0.48 -2.22 -1.51 -0.61 -0.42 116.25 110.86 1xax h VAL 112 Ca -0.07 -0.06 -0.08 0.00 -1.23 0.00 0.00 66.70 65.26 1xax h VAL 112 Cb 0.57 0.39 -0.02 0.00 -2.13 0.00 0.00 31.29 30.11 1xax h VAL 112 CO 0.09 0.03 -0.01 0.58 -1.23 0.00 0.00 177.57 177.04 1xax h VAL 113 N 0.18 1.26 -0.02 7.19 2.07 -1.43 0.21 116.25 125.70 1xax h VAL 113 Ca 0.30 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1xax h VAL 113 Cb 0.47 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1xax h VAL 113 CO -0.45 0.38 -0.04 1.12 0.02 0.00 0.00 177.57 178.60 1xax h HIS 114 N 0.71 -0.09 0.00 1.57 2.07 0.24 -1.95 115.15 117.70 1xax h HIS 114 Ca 0.14 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 1xax h HIS 114 Cb 0.53 0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.55 1xax h HIS 114 CO 0.04 -0.06 -0.15 0.78 -3.07 0.00 0.00 177.93 175.47 1xax h GLY 115 N -0.06 0.00 1.34 6.13 0.00 -1.10 -2.97 103.07 106.40 1xax h GLY 115 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.08 1xax h GLY 115 CO -0.06 0.00 -1.17 1.76 0.00 0.00 0.00 176.54 177.07 1xax h SER 116 N 0.00 0.77 0.00 0.19 0.02 -0.29 -3.19 113.55 111.05 1xax h SER 116 Ca 0.00 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.24 1xax h SER 116 Cb 0.83 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1xax h SER 116 CO 0.00 1.51 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.88 1xax h LEU 117 N 0.26 0.00 -1.88 5.07 4.07 -1.46 -3.26 115.31 118.12 1xax h LEU 117 Ca -0.16 -0.09 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1xax h LEU 117 Cb 1.84 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.57 1xax h LEU 117 CO 0.22 0.68 0.38 0.45 -1.08 0.00 0.00 178.44 179.09 1xax h HIS 118 N -1.00 0.00 0.12 1.13 3.86 -1.72 -0.05 115.15 117.49 1xax h HIS 118 Ca -0.02 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.94 1xax h HIS 118 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1xax h HIS 118 CO -0.05 0.00 -1.25 1.25 0.86 0.00 0.00 177.93 178.73 1xax h LEU 119 N 0.00 0.39 0.00 2.43 7.12 -1.69 -3.45 115.31 120.10 1xax h LEU 119 Ca 0.02 -0.87 -0.01 0.00 0.13 0.00 0.00 57.88 57.15 1xax h LEU 119 Cb 0.79 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1xax h LEU 119 CO -0.00 1.56 -0.34 0.00 -0.13 0.00 0.00 178.44 179.53 1xax n LEU 120 N -3.99 1.07 0.00 2.25 -0.00 -0.63 -5.06 117.00 110.64 1xax n LEU 120 Ca -0.22 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1xax n LEU 120 Cb 0.87 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1xax n LEU 120 CO 0.42 -0.55 0.00 0.61 -0.00 0.00 0.00 177.39 177.87 1xax n GLY 121 N 3.12 0.72 0.00 1.47 0.00 -0.13 -4.94 105.19 105.44 1xax n GLY 121 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xax n GLY 121 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xax n TYR 122 N 0.00 0.00 -0.23 1.61 4.01 -1.26 -3.71 117.16 117.57 1xax n TYR 122 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1xax n TYR 122 Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 38.90 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xax n ASP 123 N -0.98 1.99 -0.00 7.72 -0.08 -1.26 -4.55 116.55 119.39 1xax n ASP 123 Ca 0.00 -1.61 -0.00 0.00 -1.51 0.00 0.00 54.79 51.66 1xax n ASP 123 Cb 0.12 -0.45 -0.00 0.00 2.34 0.00 0.00 41.12 43.12 1xax n ASP 123 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1xax h HIS 124 N 3.39 -0.04 -3.96 -0.67 3.86 -1.95 -3.44 115.15 112.36 1xax h HIS 124 Ca 0.02 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.92 1xax h HIS 124 Cb 0.42 0.02 -0.23 0.00 1.06 0.00 0.00 27.41 28.68 1xax h HIS 124 CO 0.63 -0.01 -0.75 0.96 0.86 0.00 0.00 177.93 179.62 1xax s ILE 125 N -3.05 0.63 -2.09 2.45 -0.00 -1.26 -4.99 121.20 112.89 1xax s ILE 125 Ca -0.00 -0.93 0.13 0.00 -0.00 0.00 0.00 60.65 59.85 1xax s ILE 125 Cb 0.00 -0.64 0.34 0.00 -0.00 0.00 0.00 42.46 42.16 1xax s ILE 125 CO 0.01 -0.23 1.37 -1.84 -0.00 0.00 0.00 174.94 174.25 1xax n GLU 126 N 1.77 1.56 -0.01 0.37 0.00 -1.26 -1.74 120.64 121.33 1xax n GLU 126 Ca -0.20 -0.85 -0.00 0.00 0.00 0.00 0.00 57.16 56.10 1xax n GLU 126 Cb 0.55 -1.27 -0.00 0.00 0.00 0.00 0.00 31.44 30.72 1xax n GLU 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1xax h ASP 127 N 1.52 0.00 0.00 -1.84 3.32 -1.98 -3.42 116.42 114.02 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xax h ASP 127 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xax h ASP 127 CO 0.00 0.06 0.00 -0.67 -1.72 0.00 0.00 179.24 176.91 1xax n ASP 128 N -2.41 0.00 -0.55 6.45 2.03 -1.26 -4.52 116.55 116.29 1xax n ASP 128 Ca -0.00 0.07 0.46 0.00 0.52 0.00 0.00 54.79 55.83 1xax n ASP 128 Cb 0.02 -0.40 0.79 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.01 0.00 -0.67 4.57 -1.92 -2.38 114.58 114.18 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 -2.85 -0.13 -0.21 2.92 0.00 -0.71 0.11 120.51 119.64 1xax n ALA 130 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 1xax n ALA 130 Cb 1.70 0.15 0.09 0.00 0.00 0.00 0.00 19.45 21.38 1xax n ALA 130 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xax h GLU 131 N 0.00 0.59 0.52 0.00 4.39 -1.69 0.25 114.58 118.64 1xax h GLU 131 Ca 0.00 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 1xax h GLU 131 Cb 0.00 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1xax h GLU 131 CO 0.00 0.39 -0.49 0.93 -1.16 0.00 0.00 179.01 178.68 1xax h GLU 132 N 0.61 -0.96 -0.30 2.33 4.39 -1.38 0.34 114.58 119.62 1xax h GLU 132 Ca 0.28 0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.06 1xax h GLU 132 Cb 0.20 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1xax h GLU 132 CO -0.19 -0.64 0.17 1.98 -1.16 0.00 0.00 179.01 179.17 1xax h MET 133 N -1.00 0.34 0.04 2.33 4.05 0.90 0.37 114.93 121.96 1xax h MET 133 Ca -0.07 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1xax h MET 133 Cb 0.86 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.54 1xax h MET 133 CO -0.04 0.23 -0.29 0.93 0.23 0.00 0.00 176.91 177.96 1xax h GLU 134 N 0.35 -0.45 -0.57 0.39 5.08 -0.33 0.25 114.58 119.30 1xax h GLU 134 Ca 0.12 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1xax h GLU 134 Cb 0.00 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1xax h GLU 134 CO -0.06 -0.30 0.25 0.66 -1.00 0.00 0.00 179.01 178.57 1xax h SER 135 N -0.46 0.76 0.63 1.42 4.64 -0.13 0.31 113.55 120.72 1xax h SER 135 Ca 0.05 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1xax h SER 135 Cb 0.53 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1xax h SER 135 CO -0.22 0.70 -0.49 0.25 -0.87 0.00 0.00 176.83 176.20 1xax h LEU 136 N 0.77 -1.28 -0.71 5.97 7.12 0.26 0.30 115.31 127.74 1xax h LEU 136 Ca 0.19 0.09 -0.04 0.00 0.13 0.00 0.00 57.88 58.25 1xax h LEU 136 Cb 0.16 0.40 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 1xax h LEU 136 CO -0.02 -0.69 0.28 -0.08 -0.13 0.00 0.00 178.44 177.80 1xax h GLU 137 N -1.08 1.06 0.00 1.25 4.81 -0.51 -2.01 114.58 118.11 1xax h GLU 137 Ca -0.08 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1xax h GLU 137 Cb 0.90 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xax h GLU 137 CO 0.02 0.88 -0.10 1.15 -0.73 0.00 0.00 179.01 180.23 1xax h THR 138 N 1.02 0.66 0.16 0.32 2.02 -0.19 0.36 112.91 117.24 1xax h THR 138 Ca 0.24 -0.40 -0.29 0.00 0.77 0.00 0.00 66.41 66.73 1xax h THR 138 Cb 0.21 1.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1xax h THR 138 CO -0.02 0.09 -1.29 -0.61 0.37 0.00 0.00 175.52 174.06 1xax h GLN 139 N 0.00 0.36 0.21 6.66 4.15 0.31 0.74 115.11 127.54 1xax h GLN 139 Ca -0.00 -0.59 -0.34 0.00 0.77 0.00 0.00 58.65 58.48 1xax h GLN 139 Cb 0.24 0.22 0.02 0.00 0.21 0.00 0.00 27.48 28.17 1xax h GLN 139 CO 0.01 1.28 -1.61 0.82 -1.93 0.00 0.00 178.83 177.40 1xax h ILE 140 N 0.11 1.12 0.00 2.39 2.04 -1.01 -1.79 117.51 120.36 1xax h ILE 140 Ca -0.16 -2.64 -0.08 0.00 1.00 0.00 0.00 64.86 62.98 1xax h ILE 140 Cb 2.01 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 40.96 1xax h ILE 140 CO 0.22 0.84 -0.56 0.24 0.00 0.00 0.00 178.15 178.89 1xax h MET 141 N 0.12 0.00 0.00 2.37 2.86 -0.43 -3.39 114.93 116.47 1xax h MET 141 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1xax h MET 141 Cb 2.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.78 1xax h MET 141 CO 0.22 0.54 -0.58 0.37 1.06 0.00 0.00 176.91 178.51 1xax h GLN 142 N -1.00 0.00 -0.88 1.72 4.15 -0.43 -3.28 115.11 115.40 1xax h GLN 142 Ca -0.12 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 1xax h GLN 142 Cb 0.78 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.42 1xax h GLN 142 CO -0.07 0.00 0.12 0.41 -1.93 0.00 0.00 178.83 177.36 1xax n GLY 143 N 1.22 2.56 1.07 2.39 0.00 0.22 -4.16 105.19 108.48 1xax n GLY 143 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xax n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xax n LEU 144 N 0.08 0.00 -0.61 0.99 4.32 -1.25 -4.83 117.00 115.69 1xax n LEU 144 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1xax n LEU 144 Cb 0.83 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.63 1xax n LEU 144 CO 0.20 -0.27 0.00 0.61 -1.22 0.00 0.00 177.39 176.71 1xax n GLY 145 N 1.48 0.49 0.00 -0.72 0.00 -1.23 -5.15 105.19 100.06 1xax n GLY 145 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01