#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 5.10 0.01 2.46 0.11 -0.36 0.05 120.40 127.78 1xax s VAL 4 Ca 0.00 0.49 0.02 0.00 -2.93 0.00 0.00 61.98 59.56 1xax s VAL 4 Cb 0.00 -3.83 -0.01 0.00 -1.53 0.00 0.00 36.38 31.01 1xax s VAL 4 CO 0.00 -0.01 -0.07 -0.76 -3.33 0.00 0.00 175.10 170.93 1xax s LEU 5 N 2.22 2.11 -0.02 2.54 1.43 0.13 -4.88 118.68 122.20 1xax s LEU 5 Ca 0.17 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1xax s LEU 5 Cb -0.16 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 45.84 1xax s LEU 5 CO 0.11 -0.03 0.04 0.68 0.23 0.00 0.00 176.35 177.37 1xax s VAL 6 N -0.61 -0.06 -0.31 -1.59 -7.23 -1.26 -0.08 120.40 109.25 1xax s VAL 6 Ca -0.02 0.21 -0.01 0.00 -1.81 0.00 0.00 61.98 60.34 1xax s VAL 6 Cb -0.05 -0.09 0.06 0.00 0.56 0.00 0.00 36.38 36.86 1xax s VAL 6 CO 0.00 0.08 0.02 -0.62 -0.31 0.00 0.00 175.10 174.28 1xax s ASP 7 N 1.03 4.89 0.06 4.85 2.15 0.11 -4.96 116.67 124.81 1xax s ASP 7 Ca -0.09 -1.44 0.03 0.00 0.43 0.00 0.00 52.55 51.48 1xax s ASP 7 Cb -0.12 -1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 40.75 1xax s ASP 7 CO -0.03 -0.30 0.05 -1.48 -0.17 0.00 0.00 175.17 173.24 1xax s LEU 8 N 1.20 3.68 -0.12 -1.34 -0.00 -1.25 0.12 118.68 120.98 1xax s LEU 8 Ca -0.03 -0.04 -0.11 0.00 -0.00 0.00 0.00 54.13 53.95 1xax s LEU 8 Cb -0.20 -2.33 0.03 0.00 -0.00 0.00 0.00 46.19 43.69 1xax s LEU 8 CO -0.02 0.20 0.32 0.00 -0.00 0.00 0.00 176.35 176.84 1xax s GLN 9 N -2.21 0.39 -0.17 1.48 -2.07 0.11 -4.93 119.66 112.25 1xax s GLN 9 Ca 0.27 0.42 -0.03 0.00 -1.82 0.00 0.00 55.36 54.20 1xax s GLN 9 Cb -0.12 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 31.97 1xax s GLN 9 CO 0.19 -0.05 -0.05 -1.50 -1.32 0.00 0.00 175.29 172.56 1xax s ILE 10 N 0.12 3.58 -0.58 3.63 -1.16 -1.26 -0.21 121.20 125.32 1xax s ILE 10 Ca -0.01 -0.45 0.06 0.00 -0.51 0.00 0.00 60.65 59.75 1xax s ILE 10 Cb -0.02 -2.58 0.25 0.00 0.61 0.00 0.00 42.46 40.71 1xax s ILE 10 CO 0.01 0.47 0.68 0.00 -2.81 0.00 0.00 174.94 173.29 1xax n ALA 11 N 3.98 3.64 -2.44 1.50 0.00 0.16 -4.99 120.51 122.36 1xax n ALA 11 Ca -0.18 -4.42 -0.21 0.00 0.00 0.00 0.00 53.44 48.64 1xax n ALA 11 Cb 0.52 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.11 1.06 -0.08 0.00 -4.23 -1.26 -3.49 115.64 105.53 1xax s THR 12 Ca 0.38 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.03 1xax s THR 12 Cb 0.15 -2.74 -0.23 0.00 1.34 0.00 0.00 72.50 71.02 1xax s THR 12 CO -0.04 0.00 0.55 1.21 -0.54 0.00 0.00 174.62 175.80 1xax n GLU 13 N -0.67 0.64 -3.35 3.99 2.13 -1.26 -4.91 120.64 117.21 1xax n GLU 13 Ca -0.02 0.23 0.02 0.00 0.66 0.00 0.00 57.16 58.05 1xax n GLU 13 Cb 0.66 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 30.60 1xax n GLU 13 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xax s ASN 14 N -5.95 -0.77 0.46 4.31 4.22 -1.26 -5.18 114.94 110.77 1xax s ASN 14 Ca -0.06 0.82 0.03 0.00 -2.14 0.00 0.00 52.86 51.51 1xax s ASN 14 Cb 0.08 1.78 -0.01 0.00 1.28 0.00 0.00 41.25 44.38 1xax s ASN 14 CO 0.83 -0.15 0.09 0.27 -2.04 0.00 0.00 177.10 176.10 1xax s ILE 15 N 2.69 0.72 0.47 0.54 -5.25 -1.26 -5.03 121.20 114.08 1xax s ILE 15 Ca 0.01 -2.00 0.12 0.00 -0.99 0.00 0.00 60.65 57.79 1xax s ILE 15 Cb -0.09 -2.21 0.26 0.00 2.95 0.00 0.00 42.46 43.37 1xax s ILE 15 CO -0.17 0.00 2.10 -0.08 -1.79 0.00 0.00 174.94 175.00 1xax h GLU 16 N 1.57 0.22 0.00 0.37 4.57 -2.03 -3.44 114.58 115.84 1xax h GLU 16 Ca -0.38 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1xax h GLU 16 Cb 1.29 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1xax h GLU 16 CO 0.61 0.16 0.00 0.41 -1.18 0.00 0.00 179.01 179.01 1xax n GLY 17 N -1.48 1.31 3.50 1.92 0.00 -1.26 -5.10 105.19 104.09 1xax n GLY 17 Ca -0.01 0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.86 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 2.07 -4.58 0.99 7.99 -1.26 -4.83 117.00 117.38 1xax n LEU 18 Ca 0.00 0.12 -0.41 0.00 -0.01 0.00 0.00 56.01 55.71 1xax n LEU 18 Cb 0.00 -1.34 -0.03 0.00 -0.11 0.00 0.00 43.42 41.94 1xax n LEU 18 CO 0.00 -0.94 1.92 -2.65 -1.51 0.00 0.00 177.39 174.21 1xax n PRO 19 N 8.52 1.60 -2.86 3.23 -0.02 -1.26 -4.94 135.00 139.27 1xax n PRO 19 Ca 0.42 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1xax n PRO 19 Cb 0.31 -3.28 -0.04 0.00 -0.02 0.00 0.00 33.50 30.48 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 9.68 4.87 0.28 3.45 -4.23 -1.26 -4.87 115.64 123.57 1xax s THR 20 Ca 1.01 1.80 0.02 0.00 -1.18 0.00 0.00 61.69 63.34 1xax s THR 20 Cb -0.30 -4.20 0.27 0.00 1.34 0.00 0.00 72.50 69.61 1xax s THR 20 CO 0.33 0.23 1.72 1.05 -0.54 0.00 0.00 174.62 177.41 1xax h GLU 21 N 6.52 0.49 -0.39 3.99 4.11 -1.92 -1.46 114.58 125.92 1xax h GLU 21 Ca -0.42 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.06 1xax h GLU 21 Cb 1.21 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 1xax h GLU 21 CO 0.74 0.32 -0.32 0.93 0.07 0.00 0.00 179.01 180.76 1xax h GLU 22 N 0.50 -0.24 0.43 1.06 3.07 -1.96 1.20 114.58 118.64 1xax h GLU 22 Ca 0.53 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.38 1xax h GLU 22 Cb 0.91 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1xax h GLU 22 CO -0.46 -0.16 -0.21 1.96 -1.40 0.00 0.00 179.01 178.74 1xax h GLN 23 N -0.25 -0.56 0.30 2.33 1.08 -1.69 0.19 115.11 116.52 1xax h GLN 23 Ca 0.17 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1xax h GLN 23 Cb 0.53 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 1xax h GLN 23 CO -0.53 -0.37 -0.50 0.82 -0.95 0.00 0.00 178.83 177.30 1xax h ILE 24 N -0.60 0.04 0.22 2.54 5.03 -1.31 0.92 117.51 124.35 1xax h ILE 24 Ca -0.06 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1xax h ILE 24 Cb 0.44 0.04 -0.04 0.00 -3.03 0.00 0.00 36.82 34.23 1xax h ILE 24 CO 0.10 0.00 -0.47 0.58 -0.68 0.00 0.00 178.15 177.67 1xax h VAL 25 N -0.86 0.08 -0.20 1.67 2.07 0.14 0.26 116.25 119.40 1xax h VAL 25 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xax h VAL 25 Cb 0.80 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1xax h VAL 25 CO -0.17 0.00 0.07 -0.61 0.02 0.00 0.00 177.57 176.87 1xax h GLN 26 N -0.77 0.16 0.28 1.57 5.75 -0.52 1.19 115.11 122.76 1xax h GLN 26 Ca -0.01 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1xax h GLN 26 Cb 0.75 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.24 1xax h GLN 26 CO -0.21 0.10 -0.44 2.35 -2.65 0.00 0.00 178.83 177.98 1xax h TRP 27 N 0.16 -1.25 0.00 3.99 2.91 0.12 0.94 115.95 122.82 1xax h TRP 27 Ca 0.09 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1xax h TRP 27 Cb 0.06 0.51 0.00 0.00 -0.51 0.00 0.00 29.16 29.22 1xax h TRP 27 CO -0.12 -0.55 0.00 0.00 -1.03 0.00 0.00 178.44 176.74 1xax n ALA 28 N -2.79 0.00 0.11 2.65 0.00 0.88 -3.06 120.51 118.30 1xax n ALA 28 Ca -0.09 -0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.54 1xax n ALA 28 Cb 0.38 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.59 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 0.45 -0.24 0.00 2.02 -0.15 0.32 112.91 115.30 1xax h THR 29 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 1xax h THR 29 Cb 0.00 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xax h THR 29 CO 0.00 0.00 -0.59 1.23 0.37 0.00 0.00 175.52 176.53 1xax h GLY 30 N 0.00 0.88 1.58 2.16 0.00 0.37 -1.39 103.07 106.67 1xax h GLY 30 Ca 0.17 -1.07 0.06 0.00 0.00 0.00 0.00 47.33 46.49 1xax h GLY 30 CO -0.00 0.96 0.16 0.00 0.00 0.00 0.00 176.54 177.65 1xax h ALA 31 N 0.72 2.03 0.00 3.60 0.00 -0.55 -0.13 119.26 124.93 1xax h ALA 31 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xax h ALA 31 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xax h ALA 31 CO 0.13 -0.26 -1.05 1.55 0.00 0.00 0.00 179.25 179.62 1xax n VAL 32 N -4.22 0.21 -0.13 0.00 3.14 -1.08 -4.45 118.33 111.81 1xax n VAL 32 Ca 0.02 -0.29 -0.09 0.00 -2.96 0.00 0.00 64.34 61.02 1xax n VAL 32 Cb 0.29 0.12 -0.03 0.00 -1.06 0.00 0.00 33.84 33.16 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 0.00 -0.29 -0.61 1.45 1.08 0.13 0.12 115.11 117.00 1xax h GLN 33 Ca 0.00 0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.40 1xax h GLN 33 Cb 0.77 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1xax h GLN 33 CO 0.00 -0.19 0.67 -1.00 -0.95 0.00 0.00 178.83 177.36 1xax h PRO 34 N -0.30 0.00 0.20 1.46 0.13 -1.78 0.29 132.00 132.00 1xax h PRO 34 Ca 0.15 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.97 1xax h PRO 34 Cb 0.57 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.72 1xax h PRO 34 CO -0.57 0.00 -1.41 1.49 -0.23 0.00 0.00 178.00 177.27 1xax h GLU 35 N 0.00 0.42 -4.04 0.86 4.57 -1.05 -3.50 114.58 111.84 1xax h GLU 35 Ca 0.29 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1xax h GLU 35 Cb 1.64 0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 30.44 1xax h GLU 35 CO -0.00 1.34 -0.72 0.41 -1.18 0.00 0.00 179.01 178.86 1xax n GLY 36 N 1.65 -3.97 3.48 1.92 0.00 0.10 -5.10 105.19 103.28 1xax n GLY 36 Ca -0.14 0.53 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.51 2.62 -0.19 1.61 -0.87 -1.26 -5.07 114.94 111.27 1xax s ASN 37 Ca -0.10 -1.68 0.01 0.00 -1.57 0.00 0.00 52.86 49.53 1xax s ASN 37 Cb 0.01 0.51 0.03 0.00 -0.02 0.00 0.00 41.25 41.77 1xax s ASN 37 CO 0.41 -0.94 -0.17 -1.61 -2.57 0.00 0.00 177.10 172.21 1xax s GLU 38 N -3.69 2.70 -0.05 -0.60 2.02 -1.26 -1.23 118.70 116.60 1xax s GLU 38 Ca 0.26 -0.88 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 1xax s GLU 38 Cb 0.03 -2.55 0.11 0.00 0.10 0.00 0.00 34.13 31.82 1xax s GLU 38 CO 0.16 -0.29 1.03 0.14 0.02 0.00 0.00 175.26 176.32 1xax s VAL 39 N 1.30 0.00 -0.09 2.63 -7.23 0.11 -4.52 120.40 112.59 1xax s VAL 39 Ca 0.02 -0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1xax s VAL 39 Cb -0.14 -1.17 0.04 0.00 0.56 0.00 0.00 36.38 35.67 1xax s VAL 39 CO -0.11 0.00 0.06 -0.70 -0.31 0.00 0.00 175.10 174.04 1xax s GLU 40 N -2.86 0.04 0.08 4.82 2.12 -1.25 0.19 118.70 121.83 1xax s GLU 40 Ca 0.08 0.20 0.09 0.00 0.36 0.00 0.00 54.97 55.70 1xax s GLU 40 Cb -0.01 -0.99 -0.03 0.00 0.26 0.00 0.00 34.13 33.36 1xax s GLU 40 CO -0.06 -0.44 -0.24 -1.64 -0.54 0.00 0.00 175.26 172.34 1xax s MET 41 N 2.14 1.74 -0.37 4.30 -1.94 0.88 -1.17 119.30 124.89 1xax s MET 41 Ca 0.04 -1.16 0.02 0.00 -1.71 0.00 0.00 55.69 52.88 1xax s MET 41 Cb -0.13 -2.02 0.11 0.00 2.01 0.00 0.00 34.83 34.80 1xax s MET 41 CO -0.05 0.50 0.13 0.99 -0.01 0.00 0.00 175.02 176.58 1xax s THR 42 N -0.95 1.56 -0.12 2.05 2.01 0.53 0.06 115.64 120.79 1xax s THR 42 Ca 0.14 -2.11 -0.20 0.00 0.31 0.00 0.00 61.69 59.83 1xax s THR 42 Cb -0.10 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1xax s THR 42 CO 0.05 -0.71 0.56 -0.69 -0.69 0.00 0.00 174.62 173.13 1xax s VAL 43 N 0.95 5.13 -0.19 3.82 1.01 0.33 0.14 120.40 131.60 1xax s VAL 43 Ca 0.13 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1xax s VAL 43 Cb -0.20 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.34 1xax s VAL 43 CO -0.12 0.27 -0.03 -0.13 0.00 0.00 0.00 175.10 175.09 1xax s ARG 44 N 0.90 1.23 -0.42 2.72 0.52 0.38 -0.71 118.95 123.56 1xax s ARG 44 Ca 0.29 -0.58 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1xax s ARG 44 Cb -0.16 -2.13 0.11 0.00 0.52 0.00 0.00 34.95 33.29 1xax s ARG 44 CO 0.12 -0.52 0.23 0.96 0.02 0.00 0.00 175.30 176.11 1xax s ILE 45 N 1.65 3.51 0.14 1.52 -4.36 0.71 -0.37 121.20 124.00 1xax s ILE 45 Ca -0.01 -1.94 0.04 0.00 -0.26 0.00 0.00 60.65 58.48 1xax s ILE 45 Cb -0.16 -3.36 -0.04 0.00 1.25 0.00 0.00 42.46 40.14 1xax s ILE 45 CO -0.07 -0.67 -0.09 0.54 0.24 0.00 0.00 174.94 174.88 1xax s VAL 46 N 1.21 1.08 1.06 8.37 0.11 -1.18 -0.66 120.40 130.38 1xax s VAL 46 Ca 0.07 -2.04 -0.21 0.00 -2.93 0.00 0.00 61.98 56.87 1xax s VAL 46 Cb -0.23 -1.82 -0.01 0.00 -1.53 0.00 0.00 36.38 32.78 1xax s VAL 46 CO -0.03 -0.77 -0.49 0.47 -3.33 0.00 0.00 175.10 170.96 1xax n ASP 47 N -0.17 -2.80 -0.02 3.54 8.00 -1.23 -4.34 116.55 119.53 1xax n ASP 47 Ca -0.11 -0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 1xax n ASP 47 Cb 0.61 -0.83 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 1xax n ASP 47 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1xax h GLU 48 N -1.62 0.02 0.31 -1.24 4.11 -1.95 -2.19 114.58 112.01 1xax h GLU 48 Ca -0.48 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1xax h GLU 48 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1xax h GLU 48 CO 0.32 0.53 -0.15 0.00 0.07 0.00 0.00 179.01 179.78 1xax h ALA 49 N 0.48 -0.42 -0.44 1.06 0.00 -1.99 -0.84 119.26 117.11 1xax h ALA 49 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1xax h ALA 49 Cb 0.53 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1xax h ALA 49 CO 0.00 -0.70 0.08 0.93 0.00 0.00 0.00 179.25 179.57 1xax h GLU 50 N -0.50 0.20 0.60 0.00 5.08 -1.93 0.31 114.58 118.34 1xax h GLU 50 Ca -0.04 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1xax h GLU 50 Cb 0.38 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1xax h GLU 50 CO 0.07 0.13 -0.29 0.66 -1.00 0.00 0.00 179.01 178.59 1xax h SER 51 N 0.21 -0.68 -0.62 1.42 4.64 -1.31 0.76 113.55 117.96 1xax h SER 51 Ca 0.22 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.65 1xax h SER 51 Cb 0.27 0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 62.47 1xax h SER 51 CO -0.29 -0.49 0.25 0.45 -0.87 0.00 0.00 176.83 175.89 1xax h HIS 52 N -0.81 0.45 -0.56 4.77 3.86 -0.85 0.16 115.15 122.16 1xax h HIS 52 Ca -0.08 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1xax h HIS 52 Cb 0.62 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 1xax h HIS 52 CO -0.03 0.13 0.11 0.93 0.86 0.00 0.00 177.93 179.93 1xax h GLU 53 N 0.45 0.92 -0.58 2.45 5.08 -0.17 0.49 114.58 123.21 1xax h GLU 53 Ca 0.31 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1xax h GLU 53 Cb 0.37 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1xax h GLU 53 CO -0.29 0.87 0.31 1.25 -1.00 0.00 0.00 179.01 180.14 1xax h LEU 54 N 0.81 0.45 0.07 1.33 7.12 0.22 0.88 115.31 126.20 1xax h LEU 54 Ca 0.17 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.21 1xax h LEU 54 Cb 0.38 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1xax h LEU 54 CO 0.01 0.30 -0.04 0.78 -0.13 0.00 0.00 178.44 179.37 1xax h ASN 55 N 0.59 -0.08 0.79 1.25 2.35 -0.55 -2.93 115.58 116.99 1xax h ASN 55 Ca 0.26 -0.50 -0.02 0.00 -0.55 0.00 0.00 56.30 55.49 1xax h ASN 55 Cb 0.15 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1xax h ASN 55 CO -0.17 0.50 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.95 1xax h LEU 56 N -0.71 0.00 0.00 1.61 4.07 -0.78 0.40 115.31 119.89 1xax h LEU 56 Ca -0.01 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 1xax h LEU 56 Cb 0.57 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1xax h LEU 56 CO 0.02 0.09 -1.05 0.00 -1.08 0.00 0.00 178.44 176.42 1xax h THR 57 N 0.00 1.21 -0.01 0.22 1.03 0.75 -3.11 112.91 113.01 1xax h THR 57 Ca -0.00 -2.83 0.00 0.00 -0.01 0.00 0.00 66.41 63.57 1xax h THR 57 Cb 0.51 2.57 0.00 0.00 -1.07 0.00 0.00 68.15 70.16 1xax h THR 57 CO 0.01 0.69 -0.05 0.00 -0.01 0.00 0.00 175.52 176.17 1xax n TYR 58 N -3.21 0.00 0.00 0.00 4.11 -1.11 -4.86 117.16 112.09 1xax n TYR 58 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 1xax n TYR 58 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.24 1xax n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1xax n ARG 59 N 0.13 0.00 -1.35 -3.48 0.00 0.11 -5.06 116.66 107.01 1xax n ARG 59 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1xax n ARG 59 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.49 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 -0.40 0.54 0.00 5.14 0.00 0.54 -4.92 105.19 106.09 1xax n GLY 60 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1xax n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xax n LYS 61 N -0.60 0.19 0.00 1.61 3.00 -1.23 -4.86 118.16 116.27 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xax n LYS 61 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.36 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xax n ASP 62 N -1.63 0.00 -0.61 3.14 -0.08 -1.26 -4.75 116.55 111.36 1xax n ASP 62 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1xax n ASP 62 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xax n ARG 63 N 0.00 1.73 -1.50 -0.67 1.74 -1.26 -4.86 116.66 111.84 1xax n ARG 63 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1xax n ARG 63 Cb 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 32.46 31.22 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 0.00 0.04 -0.95 5.56 -0.02 -1.26 -4.84 135.00 133.53 1xax n PRO 64 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1xax n PRO 64 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1xax n PRO 64 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xax n THR 65 N 5.73 0.00 0.00 3.45 5.66 -1.26 -5.08 114.28 122.78 1xax n THR 65 Ca 0.67 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.67 1xax n THR 65 Cb 0.16 -0.86 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 1xax n THR 65 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1xax n ASN 66 N -2.27 2.21 -3.24 1.09 6.94 -1.26 -4.96 115.26 113.77 1xax n ASN 66 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.33 1xax n ASN 66 Cb 0.00 0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.50 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 -1.51 -0.89 -3.39 3.53 0.31 -1.26 -2.66 118.33 112.46 1xax n VAL 67 Ca 0.00 -3.30 -0.38 0.00 -0.01 0.00 0.00 64.34 60.65 1xax n VAL 67 Cb 0.24 -1.35 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.31 4.36 0.10 7.52 2.96 -1.07 -4.94 118.68 127.31 1xax s LEU 68 Ca 0.33 0.88 0.04 0.00 -0.22 0.00 0.00 54.13 55.16 1xax s LEU 68 Cb 0.09 -2.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1xax s LEU 68 CO -0.16 0.14 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.47 1xax s SER 69 N -0.12 1.45 -0.44 3.68 0.01 -1.26 0.13 113.70 117.15 1xax s SER 69 Ca 0.25 -0.80 -0.07 0.00 1.31 0.00 0.00 55.95 56.63 1xax s SER 69 Cb -0.16 0.01 0.10 0.00 0.21 0.00 0.00 66.02 66.18 1xax s SER 69 CO 0.12 -0.25 0.27 -0.36 0.41 0.00 0.00 173.24 173.43 1xax s PHE 70 N -2.38 3.44 0.65 2.43 0.08 0.12 -4.86 117.98 117.46 1xax s PHE 70 Ca 0.05 -1.92 -0.15 0.00 0.12 0.00 0.00 56.93 55.03 1xax s PHE 70 Cb -0.03 -3.24 -0.01 0.00 -0.57 0.00 0.00 43.02 39.18 1xax s PHE 70 CO 0.00 -0.94 1.10 -2.14 -0.10 0.00 0.00 175.22 173.13 1xax s PRO 71 N 1.32 2.89 1.06 0.24 0.02 -1.26 -0.45 135.00 138.82 1xax s PRO 71 Ca 0.05 1.32 -0.18 0.00 0.02 0.00 0.00 61.00 62.22 1xax s PRO 71 Cb -0.24 -1.97 0.24 0.00 0.02 0.00 0.00 34.50 32.55 1xax s PRO 71 CO -0.01 -1.17 1.26 -0.59 -0.33 0.00 0.00 177.00 176.17 1xax s PHE 72 N -2.42 1.10 0.03 6.54 -0.71 -1.26 -4.84 117.98 116.42 1xax s PHE 72 Ca 0.66 0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 56.58 1xax s PHE 72 Cb -0.19 -3.95 -0.08 0.00 -1.21 0.00 0.00 43.02 37.59 1xax s PHE 72 CO 0.42 -3.13 1.74 -1.21 -1.34 0.00 0.00 175.22 171.69 1xax s GLU 73 N -5.77 4.17 -0.86 1.99 2.02 -1.26 -4.93 118.70 114.06 1xax s GLU 73 Ca 0.74 2.37 0.01 0.00 0.02 0.00 0.00 54.97 58.11 1xax s GLU 73 Cb -0.05 -3.86 0.29 0.00 0.10 0.00 0.00 34.13 30.61 1xax s GLU 73 CO 0.54 -0.83 1.17 0.00 0.02 0.00 0.00 175.26 176.16 1xax n PRO 75 N 0.90 0.00 0.00 0.00 -0.04 -1.26 -4.94 135.00 129.67 1xax n PRO 75 Ca 0.30 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1xax n PRO 75 Cb 0.36 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1xax n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xax n ASP 76 N -0.77 0.00 0.00 3.54 9.92 -1.26 -5.05 116.55 122.93 1xax n ASP 76 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xax n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.90 0.00 -3.07 -1.24 -0.58 -1.26 -5.11 120.64 108.47 1xax n GLU 77 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xax n GLU 77 Cb 0.00 -0.76 -0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1xax n VAL 78 N -2.12 -2.74 -2.38 2.62 0.24 -1.26 -4.77 118.33 107.92 1xax n VAL 78 Ca 0.00 0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 62.34 1xax n VAL 78 Cb 0.29 -3.18 0.00 0.00 -1.47 0.00 0.00 33.84 29.48 1xax n VAL 78 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xax n GLU 79 N 1.94 3.23 -3.70 7.34 4.71 -1.26 -4.88 120.64 128.02 1xax n GLU 79 Ca -0.03 -3.27 -0.11 0.00 -0.01 0.00 0.00 57.16 53.74 1xax n GLU 79 Cb 0.23 -3.22 -0.12 0.00 -1.01 0.00 0.00 31.44 27.32 1xax n GLU 79 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 1xax s LEU 80 N 2.16 0.05 0.36 -4.62 2.34 -1.26 -4.87 118.68 112.83 1xax s LEU 80 Ca 0.47 0.77 -0.28 0.00 0.06 0.00 0.00 54.13 55.14 1xax s LEU 80 Cb 0.06 1.14 -0.11 0.00 -0.56 0.00 0.00 46.19 46.72 1xax s LEU 80 CO 0.00 -0.19 1.45 -2.65 -1.06 0.00 0.00 176.35 173.91 1xax n PRO 81 N 4.30 2.54 -3.61 1.48 -0.02 -1.26 -4.74 135.00 133.68 1xax n PRO 81 Ca -0.23 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 1xax n PRO 81 Cb 0.54 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1xax n PRO 81 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1xax s LEU 82 N -1.56 -0.07 0.00 2.45 -0.00 -1.26 -4.58 118.68 113.65 1xax s LEU 82 Ca 0.55 -0.04 0.00 0.00 -0.00 0.00 0.00 54.13 54.65 1xax s LEU 82 Cb -0.50 1.26 0.00 0.00 -0.00 0.00 0.00 46.19 46.95 1xax s LEU 82 CO 0.61 -0.18 0.00 -0.11 -0.00 0.00 0.00 176.35 176.67 1xax n LEU 83 N -0.22 1.71 0.00 1.48 -0.00 -0.31 -4.76 117.00 114.90 1xax n LEU 83 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1xax n LEU 83 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1xax n LEU 83 CO 0.10 0.29 0.00 0.61 -0.00 0.00 0.00 177.39 178.38 1xax n GLY 84 N 2.75 -1.81 3.70 -3.96 0.00 -1.03 -4.76 105.19 100.08 1xax n GLY 84 Ca 0.00 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 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 5.04 -0.02 1.61 -1.08 0.40 -0.35 116.67 118.28 1xax s ASP 85 Ca 0.00 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.80 1xax s ASP 85 Cb 0.00 -1.19 0.02 0.00 -1.46 0.00 0.00 42.92 40.29 1xax s ASP 85 CO 0.00 0.13 0.00 -0.22 0.52 0.00 0.00 175.17 175.61 1xax s LEU 86 N -2.63 1.37 -0.76 -1.34 2.96 0.38 0.14 118.68 118.80 1xax s LEU 86 Ca 0.27 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1xax s LEU 86 Cb -0.11 -0.14 0.18 0.00 0.50 0.00 0.00 46.19 46.63 1xax s LEU 86 CO 0.19 -0.08 0.57 -0.69 -1.32 0.00 0.00 176.35 175.03 1xax s VAL 87 N 0.74 3.31 0.24 1.68 1.01 0.34 0.14 120.40 127.85 1xax s VAL 87 Ca -0.07 -4.17 -0.28 0.00 0.00 0.00 0.00 61.98 57.47 1xax s VAL 87 Cb -0.10 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 1xax s VAL 87 CO -0.02 -1.03 0.89 -0.63 0.00 0.00 0.00 175.10 174.32 1xax s ILE 88 N -1.43 4.19 -0.50 2.22 1.01 0.50 -2.58 121.20 124.61 1xax s ILE 88 Ca 0.26 1.91 -0.16 0.00 0.00 0.00 0.00 60.65 62.66 1xax s ILE 88 Cb -0.05 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 38.31 1xax s ILE 88 CO -0.15 0.43 0.44 0.00 0.00 0.00 0.00 174.94 175.65 1xax h ARG 90 N 8.81 0.00 -0.93 0.00 0.11 -1.88 -2.64 114.38 117.86 1xax h ARG 90 Ca -0.29 0.00 0.26 0.00 0.10 0.00 0.00 59.98 60.05 1xax h ARG 90 Cb 1.11 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.02 1xax h ARG 90 CO 0.94 0.00 0.14 1.96 0.10 0.00 0.00 179.97 183.11 1xax h GLN 91 N 0.00 0.08 0.00 0.08 4.20 -1.91 1.46 115.11 119.02 1xax h GLN 91 Ca 0.29 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.89 1xax h GLN 91 Cb 1.23 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1xax h GLN 91 CO -0.00 0.06 -0.68 -0.24 -0.67 0.00 0.00 178.83 177.29 1xax h VAL 92 N 0.09 0.73 -0.75 -0.54 3.04 -1.81 -3.09 116.25 113.91 1xax h VAL 92 Ca 0.58 -1.76 -0.05 0.00 -1.01 0.00 0.00 66.70 64.46 1xax h VAL 92 Cb 1.22 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 32.05 1xax h VAL 92 CO -0.79 0.25 0.27 1.62 -1.01 0.00 0.00 177.57 177.90 1xax h VAL 93 N -1.00 1.26 -0.13 1.51 3.04 -1.57 0.24 116.25 119.61 1xax h VAL 93 Ca -0.15 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.67 1xax h VAL 93 Cb 0.88 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1xax h VAL 93 CO -0.09 0.34 0.02 -0.08 -1.01 0.00 0.00 177.57 176.75 1xax h GLU 94 N 1.10 0.22 0.04 4.17 4.22 0.18 0.42 114.58 124.94 1xax h GLU 94 Ca 0.25 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.63 1xax h GLU 94 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xax h GLU 94 CO -0.01 0.41 -0.02 -0.09 -2.18 0.00 0.00 179.01 177.11 1xax h ARG 95 N -0.01 -0.06 -0.82 1.92 9.65 -1.42 0.52 114.38 124.16 1xax h ARG 95 Ca 0.04 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1xax h ARG 95 Cb 0.30 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1xax h ARG 95 CO 0.00 0.00 0.54 1.49 2.80 0.00 0.00 179.97 184.80 1xax h GLU 96 N -0.10 1.06 -0.35 0.20 4.81 -0.46 0.22 114.58 119.95 1xax h GLU 96 Ca -0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1xax h GLU 96 Cb 0.09 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1xax h GLU 96 CO 0.01 0.70 0.02 0.00 -0.73 0.00 0.00 179.01 179.01 1xax h ALA 97 N 1.31 0.46 -0.45 2.92 0.00 0.19 0.69 119.26 124.38 1xax h ALA 97 Ca 0.31 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xax h ALA 97 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1xax h ALA 97 CO -0.08 0.21 0.08 1.03 0.00 0.00 0.00 179.25 180.49 1xax h SER 98 N 0.42 0.64 1.09 0.00 0.87 0.51 0.13 113.55 117.20 1xax h SER 98 Ca 0.10 -0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 1xax h SER 98 Cb 0.42 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1xax h SER 98 CO 0.01 0.65 -0.92 -0.08 -0.53 0.00 0.00 176.83 175.97 1xax h GLU 99 N 0.66 0.00 0.00 2.24 4.81 -0.32 -3.24 114.58 118.73 1xax h GLU 99 Ca 0.15 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1xax h GLU 99 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1xax h GLU 99 CO 0.00 0.89 -0.64 1.96 -0.73 0.00 0.00 179.01 180.49 1xax h GLN 100 N 0.00 0.00 -3.53 1.92 4.20 0.95 -3.48 115.11 115.16 1xax h GLN 100 Ca -0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1xax h GLN 100 Cb 1.70 0.00 0.07 0.00 0.30 0.00 0.00 27.48 29.55 1xax h GLN 100 CO 0.12 0.64 -0.33 0.39 -0.67 0.00 0.00 178.83 178.98 1xax n GLU 101 N -3.44 -2.98 -4.37 1.46 1.02 0.39 -5.06 120.64 107.66 1xax n GLU 101 Ca 0.00 0.37 -0.26 0.00 -0.02 0.00 0.00 57.16 57.26 1xax n GLU 101 Cb 0.72 -3.97 -0.13 0.00 -0.02 0.00 0.00 31.44 28.04 1xax n GLU 101 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1xax s LYS 102 N -4.72 1.24 0.50 3.49 -2.85 -1.18 -5.09 119.74 111.13 1xax s LYS 102 Ca 0.03 -1.18 -0.21 0.00 -1.00 0.00 0.00 55.97 53.62 1xax s LYS 102 Cb -0.02 -1.55 -0.09 0.00 -2.06 0.00 0.00 37.83 34.12 1xax s LYS 102 CO 0.32 0.37 0.77 -2.30 0.10 0.00 0.00 175.35 174.61 1xax n PRO 103 N 1.15 0.86 0.00 1.78 -0.02 -1.26 -4.84 135.00 132.68 1xax n PRO 103 Ca -0.19 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1xax n PRO 103 Cb 0.53 -1.87 0.62 0.00 -0.02 0.00 0.00 33.50 32.76 1xax n PRO 103 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xax n LEU 104 N 0.38 0.00 0.17 2.45 7.99 -1.26 -3.60 117.00 123.12 1xax n LEU 104 Ca 0.11 0.31 -0.14 0.00 -0.01 0.00 0.00 56.01 56.28 1xax n LEU 104 Cb 0.43 -0.31 -0.08 0.00 -0.11 0.00 0.00 43.42 43.36 1xax n LEU 104 CO 0.53 -0.05 0.60 0.24 -1.51 0.00 0.00 177.39 177.20 1xax h MET 105 N 0.00 -0.40 0.00 3.23 2.86 -2.00 -2.92 114.93 115.69 1xax h MET 105 Ca 0.00 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1xax h MET 105 Cb 0.25 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1xax h MET 105 CO 0.00 -0.12 -0.22 0.00 1.06 0.00 0.00 176.91 177.63 1xax h ALA 106 N -0.09 1.11 0.09 6.32 0.00 -1.95 -3.02 119.26 121.73 1xax h ALA 106 Ca -0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xax h ALA 106 Cb 0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1xax h ALA 106 CO 0.07 0.28 -0.39 1.25 0.00 0.00 0.00 179.25 180.46 1xax h HIS 107 N 0.00 -1.15 0.22 0.00 6.17 -1.57 0.37 115.15 119.19 1xax h HIS 107 Ca -0.00 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 1xax h HIS 107 Cb 0.64 0.49 0.00 0.00 2.52 0.00 0.00 27.41 31.06 1xax h HIS 107 CO 0.00 -0.45 -0.11 -1.49 0.71 0.00 0.00 177.93 176.60 1xax h TRP 108 N -0.56 -0.28 -0.65 5.26 6.55 -1.58 -0.48 115.95 124.21 1xax h TRP 108 Ca -0.01 -0.01 0.13 0.00 0.95 0.00 0.00 58.89 59.96 1xax h TRP 108 Cb 0.57 0.09 -0.12 0.00 -0.86 0.00 0.00 29.16 28.83 1xax h TRP 108 CO -0.41 0.06 -0.16 0.00 -1.05 0.00 0.00 178.44 176.87 1xax h ALA 109 N 0.03 0.43 0.21 1.49 0.00 -1.49 0.10 119.26 120.04 1xax h ALA 109 Ca -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xax h ALA 109 Cb 0.46 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xax h ALA 109 CO 0.05 -0.42 -0.10 1.25 0.00 0.00 0.00 179.25 180.03 1xax h HIS 110 N -0.00 -0.26 -0.68 0.00 -0.00 -0.29 -3.02 115.15 110.89 1xax h HIS 110 Ca 0.31 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.82 1xax h HIS 110 Cb 0.48 0.09 -0.13 0.00 -0.00 0.00 0.00 27.41 27.85 1xax h HIS 110 CO -0.53 0.13 -0.16 0.52 -0.00 0.00 0.00 177.93 177.89 1xax h MET 111 N -0.80 0.01 0.43 5.26 2.07 -0.60 0.35 114.93 121.64 1xax h MET 111 Ca -0.03 -0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.58 1xax h MET 111 Cb 0.51 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.23 1xax h MET 111 CO 0.05 0.00 -0.34 0.28 1.07 0.00 0.00 176.91 177.97 1xax h VAL 112 N 0.01 0.00 -0.75 -2.22 2.07 -0.88 0.64 116.25 115.11 1xax h VAL 112 Ca 0.33 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.00 1xax h VAL 112 Cb 0.51 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1xax h VAL 112 CO -0.70 0.00 0.50 1.62 0.02 0.00 0.00 177.57 179.02 1xax h VAL 113 N -0.75 0.80 -0.03 2.57 3.04 -1.30 0.12 116.25 120.70 1xax h VAL 113 Ca -0.06 -0.15 -0.10 0.00 -1.01 0.00 0.00 66.70 65.38 1xax h VAL 113 Cb 0.62 0.34 0.01 0.00 -2.01 0.00 0.00 31.29 30.25 1xax h VAL 113 CO 0.01 0.08 -0.39 1.12 -1.01 0.00 0.00 177.57 177.38 1xax h HIS 114 N 0.43 0.44 0.00 3.17 2.07 0.03 -3.11 115.15 118.18 1xax h HIS 114 Ca 0.37 -0.22 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 1xax h HIS 114 Cb 0.83 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1xax h HIS 114 CO -0.00 1.00 0.00 0.41 -3.07 0.00 0.00 177.93 176.27 1xax n GLY 115 N 0.91 -0.99 0.13 6.13 0.00 0.22 -2.66 105.19 108.92 1xax n GLY 115 Ca -0.09 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.94 1.99 -0.07 1.61 3.41 0.34 -4.13 113.62 115.83 1xax n SER 116 Ca 0.21 0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.86 1xax n SER 116 Cb 0.10 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 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 -0.37 0.00 -2.27 1.04 6.46 -1.61 -2.75 115.31 115.80 1xax h LEU 117 Ca -0.54 -0.44 0.01 0.00 -0.12 0.00 0.00 57.88 56.79 1xax h LEU 117 Cb 1.78 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1xax h LEU 117 CO -0.15 0.93 0.24 0.45 -0.62 0.00 0.00 178.44 179.30 1xax h HIS 118 N -1.00 0.00 0.06 1.25 3.86 -1.77 1.03 115.15 118.59 1xax h HIS 118 Ca -0.08 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.78 1xax h HIS 118 Cb 0.71 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 1xax h HIS 118 CO 0.08 0.00 -2.00 -0.11 0.86 0.00 0.00 177.93 176.76 1xax n LEU 119 N -3.05 2.48 0.00 2.43 -0.00 -1.25 -4.81 117.00 112.80 1xax n LEU 119 Ca -0.02 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1xax n LEU 119 Cb 0.31 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1xax n LEU 119 CO 0.17 0.72 -0.37 0.00 -0.00 0.00 0.00 177.39 177.91 1xax n LEU 120 N -3.71 0.88 -1.58 -1.96 -0.00 -0.84 -5.03 117.00 104.75 1xax n LEU 120 Ca -0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.64 1xax n LEU 120 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.36 1xax n LEU 120 CO 0.30 0.15 0.02 0.61 -0.00 0.00 0.00 177.39 178.47 1xax n GLY 121 N 2.61 -0.26 0.30 1.47 0.00 0.35 -4.91 105.19 104.76 1xax n GLY 121 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xax n GLY 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xax n TYR 122 N -1.08 0.00 -1.24 1.61 4.11 -1.26 -3.94 117.16 115.36 1xax n TYR 122 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.62 1xax n TYR 122 Cb 0.50 -0.04 0.05 0.00 -0.00 0.00 0.00 39.34 39.85 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1xax n ASP 123 N -0.12 7.15 -4.70 9.48 -0.08 -1.26 -4.85 116.55 122.17 1xax n ASP 123 Ca 0.00 -3.48 -0.23 0.00 -1.51 0.00 0.00 54.79 49.56 1xax n ASP 123 Cb 0.11 -1.04 0.11 0.00 2.34 0.00 0.00 41.12 42.64 1xax n ASP 123 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1xax s HIS 124 N -2.95 1.55 0.07 -0.67 -3.43 -1.25 -4.88 115.29 103.73 1xax s HIS 124 Ca 0.51 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 1xax s HIS 124 Cb 0.40 -2.94 0.00 0.00 -1.43 0.00 0.00 32.58 28.61 1xax s HIS 124 CO -0.06 -1.69 0.00 0.44 -2.00 0.00 0.00 174.74 171.43 1xax n ILE 125 N -2.80 -4.65 1.56 -5.38 -5.35 -1.26 -3.36 119.36 98.12 1xax n ILE 125 Ca 0.15 1.18 0.09 0.00 -0.27 0.00 0.00 62.75 63.91 1xax n ILE 125 Cb 0.61 -2.21 0.42 0.00 -1.74 0.00 0.00 39.64 36.71 1xax n ILE 125 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1xax n GLU 126 N 1.66 1.40 0.00 6.28 0.00 -1.26 -1.64 120.64 127.08 1xax n GLU 126 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 57.16 56.55 1xax n GLU 126 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.11 1xax n GLU 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xax n ASP 127 N -0.16 0.00 0.00 -1.84 9.92 -1.26 -4.69 116.55 118.52 1xax n ASP 127 Ca 0.14 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1xax n ASP 127 Cb 0.20 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1xax n ASP 127 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xax n ASP 128 N -2.23 0.00 -0.47 -2.24 9.92 -1.26 -4.53 116.55 115.74 1xax n ASP 128 Ca 0.00 0.00 0.40 0.00 -0.53 0.00 0.00 54.79 54.66 1xax n ASP 128 Cb 0.00 0.00 0.68 0.00 -0.64 0.00 0.00 41.12 41.16 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xax h GLU 129 N 0.00 0.00 0.00 -1.24 4.57 -1.79 -2.14 114.58 113.98 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 -2.51 -0.11 0.02 2.92 0.00 -0.65 0.14 120.51 120.31 1xax n ALA 130 Ca 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 1xax n ALA 130 Cb 1.56 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 21.15 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 -0.18 -0.09 0.00 5.08 -1.67 0.25 114.58 117.97 1xax h GLU 131 Ca 0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1xax h GLU 131 Cb 0.00 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1xax h GLU 131 CO 0.00 -0.12 -0.39 0.93 -1.00 0.00 0.00 179.01 178.43 1xax h GLU 132 N -0.19 -0.47 -0.55 2.33 3.07 -1.38 0.21 114.58 117.61 1xax h GLU 132 Ca 0.07 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.98 1xax h GLU 132 Cb 0.29 0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 1xax h GLU 132 CO -0.18 -0.32 0.35 1.98 -1.40 0.00 0.00 179.01 179.44 1xax h MET 133 N -0.49 0.68 0.37 2.33 4.05 0.14 0.82 114.93 122.83 1xax h MET 133 Ca 0.07 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1xax h MET 133 Cb 0.61 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1xax h MET 133 CO -0.36 0.45 -0.42 0.93 0.23 0.00 0.00 176.91 177.73 1xax h GLU 134 N 0.70 -0.77 -0.12 0.39 4.39 0.34 0.85 114.58 120.36 1xax h GLU 134 Ca 0.21 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1xax h GLU 134 Cb -0.03 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1xax h GLU 134 CO -0.07 -0.52 0.06 0.77 -1.16 0.00 0.00 179.01 178.09 1xax h SER 135 N -0.80 0.15 0.42 1.42 0.02 -0.51 0.19 113.55 114.44 1xax h SER 135 Ca -0.05 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1xax h SER 135 Cb 0.71 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1xax h SER 135 CO -0.08 0.23 -0.51 0.25 -1.14 0.00 0.00 176.83 175.59 1xax h LEU 136 N 0.07 -1.42 -0.02 5.07 7.12 0.79 0.31 115.31 127.24 1xax h LEU 136 Ca 0.04 0.12 0.01 0.00 0.13 0.00 0.00 57.88 58.18 1xax h LEU 136 Cb 0.12 0.48 -0.02 0.00 -0.53 0.00 0.00 40.66 40.71 1xax h LEU 136 CO -0.01 -0.64 -0.06 -0.08 -0.13 0.00 0.00 178.44 177.53 1xax h GLU 137 N -0.95 -0.09 -0.55 1.25 4.81 0.73 -1.17 114.58 118.60 1xax h GLU 137 Ca -0.05 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1xax h GLU 137 Cb 0.84 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1xax h GLU 137 CO -0.11 -0.06 0.38 1.15 -0.73 0.00 0.00 179.01 179.65 1xax h THR 138 N -0.09 0.83 0.05 0.32 2.02 -0.46 0.49 112.91 116.07 1xax h THR 138 Ca 0.03 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1xax h THR 138 Cb 0.13 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xax h THR 138 CO -0.07 0.04 -0.03 1.56 0.37 0.00 0.00 175.52 177.39 1xax h GLN 139 N 0.23 -0.07 -0.02 6.66 1.08 0.53 0.33 115.11 123.84 1xax h GLN 139 Ca 0.26 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1xax h GLN 139 Cb 0.72 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 1xax h GLN 139 CO -0.05 0.51 -0.60 0.82 -0.95 0.00 0.00 178.83 178.57 1xax h ILE 140 N -0.74 1.41 0.00 2.54 2.04 -0.83 0.16 117.51 122.09 1xax h ILE 140 Ca -0.01 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 63.82 1xax h ILE 140 Cb 0.62 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1xax h ILE 140 CO 0.01 0.58 -0.33 0.24 0.00 0.00 0.00 178.15 178.66 1xax h MET 141 N 0.06 0.00 -0.04 2.37 2.86 -0.12 -3.39 114.93 116.67 1xax h MET 141 Ca -0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1xax h MET 141 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1xax h MET 141 CO 0.08 0.07 -0.71 0.37 1.06 0.00 0.00 176.91 177.78 1xax h GLN 142 N -1.00 0.21 -0.64 1.72 4.15 -0.49 0.44 115.11 119.50 1xax h GLN 142 Ca -0.01 -0.18 0.19 0.00 0.77 0.00 0.00 58.65 59.42 1xax h GLN 142 Cb 0.35 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1xax h GLN 142 CO -0.01 0.83 0.65 0.78 -1.93 0.00 0.00 178.83 179.16 1xax h GLY 143 N 1.64 0.00 0.00 2.39 0.00 -0.30 -3.19 103.07 103.61 1xax h GLY 143 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1xax h GLY 143 CO 0.11 0.00 -0.64 1.04 0.00 0.00 0.00 176.54 177.05 1xax n LEU 144 N -3.69 1.76 -1.19 3.11 4.32 -1.20 -5.05 117.00 115.06 1xax n LEU 144 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1xax n LEU 144 Cb 0.88 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.68 1xax n LEU 144 CO 0.29 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 1xax n GLY 145 N 2.75 -2.59 0.90 -0.72 0.00 0.16 -5.12 105.19 100.56 1xax n GLY 145 Ca 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.63 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01