#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 4.05 -1.09 0.44 0.11 -1.24 -0.51 120.40 122.17 1xax s VAL 4 Ca 0.00 1.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.94 1xax s VAL 4 Cb 0.00 -4.48 0.16 0.00 -1.53 0.00 0.00 36.38 30.53 1xax s VAL 4 CO 0.00 -0.99 1.29 -0.22 -3.33 0.00 0.00 175.10 171.85 1xax s LEU 5 N 4.96 5.16 0.32 2.54 0.20 0.29 -4.88 118.68 127.28 1xax s LEU 5 Ca 0.52 -2.67 0.07 0.00 0.69 0.00 0.00 54.13 52.74 1xax s LEU 5 Cb -0.09 -2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 43.27 1xax s LEU 5 CO 0.31 -0.84 0.43 0.68 -0.29 0.00 0.00 176.35 176.64 1xax s VAL 6 N 1.81 4.11 -0.29 1.68 -7.23 -1.26 -0.62 120.40 118.62 1xax s VAL 6 Ca 0.38 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 1xax s VAL 6 Cb -0.04 -3.42 0.18 0.00 0.56 0.00 0.00 36.38 33.66 1xax s VAL 6 CO -0.04 -0.18 0.54 -0.62 -0.31 0.00 0.00 175.10 174.49 1xax s ASP 7 N -4.12 -0.99 -0.14 4.85 -1.08 0.29 -4.86 116.67 110.62 1xax s ASP 7 Ca 0.43 0.65 -0.04 0.00 -0.52 0.00 0.00 52.55 53.07 1xax s ASP 7 Cb -0.09 1.89 -0.03 0.00 -1.46 0.00 0.00 42.92 43.23 1xax s ASP 7 CO 0.30 -0.27 -0.02 -1.48 0.52 0.00 0.00 175.17 174.22 1xax s LEU 8 N 2.78 3.39 -0.03 -1.34 0.05 -1.25 0.11 118.68 122.39 1xax s LEU 8 Ca 0.18 -0.04 0.02 0.00 0.05 0.00 0.00 54.13 54.33 1xax s LEU 8 Cb -0.15 -1.81 0.01 0.00 -2.05 0.00 0.00 46.19 42.19 1xax s LEU 8 CO -0.20 0.22 -0.06 0.00 -0.55 0.00 0.00 176.35 175.75 1xax s GLN 9 N 0.09 0.77 0.30 1.48 -2.07 -0.41 -4.67 119.66 115.16 1xax s GLN 9 Ca 0.01 -0.20 -0.12 0.00 -1.82 0.00 0.00 55.36 53.22 1xax s GLN 9 Cb -0.13 -0.75 -0.08 0.00 -1.09 0.00 0.00 33.01 30.96 1xax s GLN 9 CO 0.02 0.05 0.67 -1.50 -1.32 0.00 0.00 175.29 173.21 1xax s ILE 10 N 0.36 4.79 -0.25 3.63 1.10 -1.26 -0.69 121.20 128.87 1xax s ILE 10 Ca -0.05 0.71 0.13 0.00 -0.51 0.00 0.00 60.65 60.94 1xax s ILE 10 Cb -0.09 -3.63 0.47 0.00 0.15 0.00 0.00 42.46 39.36 1xax s ILE 10 CO 0.00 -0.20 1.17 0.00 -2.11 0.00 0.00 174.94 173.80 1xax n ALA 11 N -0.44 3.96 -3.91 1.50 0.00 -0.67 -4.93 120.51 116.03 1xax n ALA 11 Ca 0.02 -3.33 -0.27 0.00 0.00 0.00 0.00 53.44 49.86 1xax n ALA 11 Cb 0.53 -0.52 -0.17 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.90 1.09 0.33 0.00 -4.23 -1.26 -4.76 115.64 102.91 1xax s THR 12 Ca 0.41 -0.43 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 1xax s THR 12 Cb 0.38 -1.16 0.15 0.00 1.34 0.00 0.00 72.50 73.21 1xax s THR 12 CO -0.01 0.29 1.86 -0.33 -0.54 0.00 0.00 174.62 175.89 1xax h GLU 13 N 8.15 0.00 -3.16 3.99 5.08 -2.03 -3.41 114.58 123.21 1xax h GLU 13 Ca -0.28 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.69 1xax h GLU 13 Cb 1.12 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.98 1xax h GLU 13 CO 0.41 0.31 -0.72 -0.80 -1.00 0.00 0.00 179.01 177.21 1xax s ASN 14 N -6.61 1.46 0.27 1.42 0.01 -1.26 -5.12 114.94 105.11 1xax s ASN 14 Ca -0.02 -0.11 -0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1xax s ASN 14 Cb 0.13 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.71 1xax s ASN 14 CO 0.68 -0.28 0.35 2.30 -1.51 0.00 0.00 177.10 178.64 1xax n ILE 15 N 5.30 0.00 0.21 0.60 -6.64 -1.26 -5.04 119.36 112.53 1xax n ILE 15 Ca -0.05 -1.46 0.04 0.00 -1.77 0.00 0.00 62.75 59.51 1xax n ILE 15 Cb 0.50 0.87 0.44 0.00 -1.44 0.00 0.00 39.64 40.01 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 0.00 -0.75 6.28 4.81 -2.00 -3.44 114.58 119.48 1xax h GLU 16 Ca -0.21 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.23 1xax h GLU 16 Cb 0.92 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.03 1xax h GLU 16 CO 0.28 0.26 0.45 0.20 -0.73 0.00 0.00 179.01 179.47 1xax s GLY 17 N -4.24 0.14 -0.27 1.92 0.00 -1.26 -5.11 107.32 98.50 1xax s GLY 17 Ca -0.03 3.42 -0.28 0.00 0.00 0.00 0.00 44.72 47.82 1xax s GLY 17 CO 0.71 3.14 2.26 1.04 0.00 0.00 0.00 173.10 180.25 1xax n LEU 18 N 4.36 3.02 -4.55 0.66 7.99 -1.26 -4.86 117.00 122.36 1xax n LEU 18 Ca -0.11 0.10 -0.37 0.00 -0.01 0.00 0.00 56.01 55.62 1xax n LEU 18 Cb 0.55 -1.54 -0.04 0.00 -0.11 0.00 0.00 43.42 42.28 1xax n LEU 18 CO -0.02 -0.84 2.01 -2.65 -1.51 0.00 0.00 177.39 174.38 1xax n PRO 19 N 8.77 1.11 -2.41 3.23 -0.02 -1.26 -4.92 135.00 139.51 1xax n PRO 19 Ca 0.32 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1xax n PRO 19 Cb 0.45 -3.35 -0.03 0.00 -0.02 0.00 0.00 33.50 30.55 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 11.63 4.04 0.08 3.45 -4.23 -1.26 -4.73 115.64 124.63 1xax s THR 20 Ca 1.00 1.45 -0.18 0.00 -1.18 0.00 0.00 61.69 62.78 1xax s THR 20 Cb -0.24 -3.93 -0.08 0.00 1.34 0.00 0.00 72.50 69.59 1xax s THR 20 CO 0.28 0.08 1.48 1.05 -0.54 0.00 0.00 174.62 176.98 1xax h GLU 21 N 6.99 0.49 -0.52 3.99 4.11 -1.91 -2.71 114.58 125.02 1xax h GLU 21 Ca -0.40 -0.19 0.09 0.00 0.07 0.00 0.00 59.36 58.94 1xax h GLU 21 Cb 1.20 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1xax h GLU 21 CO 0.83 0.71 -0.35 0.93 0.07 0.00 0.00 179.01 181.20 1xax h GLU 22 N 0.25 -0.20 0.28 1.06 5.08 -1.96 1.13 114.58 120.22 1xax h GLU 22 Ca 0.07 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1xax h GLU 22 Cb 0.52 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xax h GLU 22 CO 0.02 -0.13 -0.13 0.37 -1.00 0.00 0.00 179.01 178.14 1xax h GLN 23 N -0.21 -0.36 -0.05 2.33 -0.00 -1.98 0.12 115.11 114.97 1xax h GLN 23 Ca 0.20 0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.89 1xax h GLN 23 Cb 0.55 0.08 -0.03 0.00 0.00 0.00 0.00 27.48 28.08 1xax h GLN 23 CO -0.63 -0.24 -0.25 0.82 0.00 0.00 0.00 178.83 178.53 1xax h ILE 24 N -0.38 0.00 -0.28 2.39 1.08 -1.26 0.66 117.51 119.72 1xax h ILE 24 Ca -0.04 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.47 1xax h ILE 24 Cb 0.29 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.96 1xax h ILE 24 CO 0.06 0.00 -0.54 0.58 -0.69 0.00 0.00 178.15 177.57 1xax h VAL 25 N -0.28 0.00 0.10 1.67 2.07 0.12 0.11 116.25 120.04 1xax h VAL 25 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1xax h VAL 25 Cb 0.32 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1xax h VAL 25 CO -0.19 0.00 -0.17 -0.61 0.02 0.00 0.00 177.57 176.62 1xax h GLN 26 N -0.46 -0.32 0.11 1.57 4.15 -0.59 1.57 115.11 121.14 1xax h GLN 26 Ca 0.05 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.50 1xax h GLN 26 Cb 0.61 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 1xax h GLN 26 CO -0.51 -0.21 -0.43 2.35 -1.93 0.00 0.00 178.83 178.10 1xax h TRP 27 N -0.33 -1.24 0.00 3.99 2.91 0.77 0.18 115.95 122.23 1xax h TRP 27 Ca 0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1xax h TRP 27 Cb 0.35 0.53 0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1xax h TRP 27 CO -0.17 -0.49 0.00 0.00 -1.03 0.00 0.00 178.44 176.75 1xax n ALA 28 N -2.83 0.00 0.23 2.65 0.00 0.34 -3.15 120.51 117.75 1xax n ALA 28 Ca -0.07 -0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1xax n ALA 28 Cb 0.34 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.57 1xax n ALA 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xax h THR 29 N 0.00 0.00 0.09 0.00 1.35 -0.29 -1.08 112.91 112.98 1xax h THR 29 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.58 1xax h THR 29 Cb 0.00 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1xax h THR 29 CO 0.00 0.00 -1.36 1.23 -0.25 0.00 0.00 175.52 175.14 1xax h GLY 30 N 0.00 0.22 1.46 5.82 0.00 0.50 -3.14 103.07 107.94 1xax h GLY 30 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1xax h GLY 30 CO 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 176.54 176.91 1xax n ALA 31 N -2.56 2.70 -0.07 3.60 0.00 -0.45 -2.87 120.51 120.86 1xax n ALA 31 Ca -0.11 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.91 1xax n ALA 31 Cb 1.02 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 1xax n ALA 31 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xax n VAL 32 N -1.33 1.63 -2.21 0.00 3.14 -0.95 -4.57 118.33 114.03 1xax n VAL 32 Ca 0.10 -0.37 -0.26 0.00 -2.96 0.00 0.00 64.34 60.85 1xax n VAL 32 Cb 0.31 -1.85 0.01 0.00 -1.06 0.00 0.00 33.84 31.26 1xax n VAL 32 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xax n GLN 33 N -3.93 3.50 0.26 1.45 1.13 -1.19 -4.80 117.38 113.80 1xax n GLN 33 Ca -0.36 -4.29 -0.16 0.00 -1.94 0.00 0.00 57.00 50.25 1xax n GLN 33 Cb 0.88 -2.27 -0.08 0.00 0.11 0.00 0.00 30.24 28.88 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1xax h PRO 34 N 2.37 -0.59 -0.09 -1.09 0.13 -1.77 -3.25 132.00 127.71 1xax h PRO 34 Ca 0.35 0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.47 1xax h PRO 34 Cb 1.22 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1xax h PRO 34 CO 0.83 -0.39 -0.32 0.39 -0.23 0.00 0.00 178.00 178.28 1xax n GLU 35 N -5.36 1.65 -0.01 0.86 4.71 -1.26 -5.02 120.64 116.22 1xax n GLU 35 Ca -0.11 -3.18 0.00 0.00 -0.01 0.00 0.00 57.16 53.86 1xax n GLU 35 Cb 0.26 -1.66 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xax n GLY 36 N -1.14 0.72 3.52 0.62 0.00 -1.23 -5.11 105.19 102.58 1xax n GLY 36 Ca 0.22 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 1xax n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xax n ASN 37 N -0.07 0.60 -4.67 1.61 5.15 -1.26 -4.70 115.26 111.92 1xax n ASN 37 Ca 0.00 -1.71 -0.39 0.00 -0.60 0.00 0.00 54.58 51.88 1xax n ASN 37 Cb 0.00 -0.78 -0.06 0.00 -0.53 0.00 0.00 39.78 38.41 1xax n ASN 37 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1xax s GLU 38 N -5.30 4.25 0.13 1.20 -6.30 -1.26 -3.66 118.70 107.76 1xax s GLU 38 Ca 0.65 0.57 0.03 0.00 -2.50 0.00 0.00 54.97 53.72 1xax s GLU 38 Cb -0.03 -3.54 -0.01 0.00 0.00 0.00 0.00 34.13 30.55 1xax s GLU 38 CO 0.45 -0.13 0.11 1.33 0.02 0.00 0.00 175.26 177.03 1xax n VAL 39 N 4.42 0.00 -3.69 3.70 0.24 0.34 -4.57 118.33 118.76 1xax n VAL 39 Ca -0.03 -0.95 -0.11 0.00 -2.04 0.00 0.00 64.34 61.21 1xax n VAL 39 Cb 0.50 0.47 -0.12 0.00 -1.47 0.00 0.00 33.84 33.23 1xax n VAL 39 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1xax s GLU 40 N -2.53 0.28 -0.29 7.34 4.04 -1.26 0.10 118.70 126.39 1xax s GLU 40 Ca 0.15 0.74 -0.03 0.00 0.04 0.00 0.00 54.97 55.87 1xax s GLU 40 Cb 0.01 -0.00 0.11 0.00 0.02 0.00 0.00 34.13 34.26 1xax s GLU 40 CO 0.11 -0.20 0.17 1.41 -1.84 0.00 0.00 175.26 174.92 1xax s MET 41 N 1.72 0.23 0.29 -4.83 1.75 0.21 0.90 119.30 119.57 1xax s MET 41 Ca -0.06 -0.44 -0.06 0.00 -1.25 0.00 0.00 55.69 53.88 1xax s MET 41 Cb -0.10 -1.03 -0.05 0.00 2.84 0.00 0.00 34.83 36.49 1xax s MET 41 CO -0.11 -1.03 0.56 0.95 -0.65 0.00 0.00 175.02 174.75 1xax s THR 42 N 2.15 5.00 -0.23 10.11 -4.23 0.10 -0.55 115.64 128.00 1xax s THR 42 Ca 0.09 0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.62 1xax s THR 42 Cb -0.16 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.05 1xax s THR 42 CO -0.35 -0.31 0.53 0.54 -0.54 0.00 0.00 174.62 174.48 1xax s VAL 43 N -2.07 -0.36 -0.19 2.29 0.11 0.29 -1.71 120.40 118.76 1xax s VAL 43 Ca 0.45 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.53 1xax s VAL 43 Cb -0.11 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1xax s VAL 43 CO 0.29 0.03 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.94 1xax s ARG 44 N 2.05 3.54 -0.43 1.54 1.81 0.11 -1.28 118.95 126.28 1xax s ARG 44 Ca -0.07 -0.56 -0.06 0.00 -1.72 0.00 0.00 55.73 53.32 1xax s ARG 44 Cb -0.09 -3.00 0.11 0.00 -0.45 0.00 0.00 34.95 31.51 1xax s ARG 44 CO -0.16 -0.00 0.26 -1.50 -0.68 0.00 0.00 175.30 173.22 1xax s ILE 45 N 1.00 3.68 0.12 1.52 2.07 0.13 -0.22 121.20 129.50 1xax s ILE 45 Ca 0.01 -1.90 -0.05 0.00 -1.41 0.00 0.00 60.65 57.29 1xax s ILE 45 Cb -0.14 -3.46 -0.02 0.00 0.13 0.00 0.00 42.46 38.97 1xax s ILE 45 CO 0.01 -0.70 0.15 0.54 -1.91 0.00 0.00 174.94 173.03 1xax s VAL 46 N 1.24 0.11 0.05 4.00 0.11 0.84 -1.67 120.40 125.09 1xax s VAL 46 Ca 0.07 -1.58 -0.01 0.00 -2.93 0.00 0.00 61.98 57.53 1xax s VAL 46 Cb -0.24 -1.77 0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1xax s VAL 46 CO -0.02 -0.52 0.03 -0.67 -3.33 0.00 0.00 175.10 170.58 1xax n ASP 47 N -0.10 -1.52 -0.04 3.54 2.03 -1.26 -3.52 116.55 115.68 1xax n ASP 47 Ca -0.09 -0.03 -0.02 0.00 0.52 0.00 0.00 54.79 55.17 1xax n ASP 47 Cb 0.63 -0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.00 -0.03 -0.53 -0.67 5.08 -1.94 -3.29 114.58 113.20 1xax h GLU 48 Ca -0.01 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1xax h GLU 48 Cb 0.04 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 1xax h GLU 48 CO 0.01 0.10 -0.48 0.00 -1.00 0.00 0.00 179.01 177.64 1xax h ALA 49 N -0.88 -0.48 -0.16 3.43 0.00 -1.97 0.66 119.26 119.86 1xax h ALA 49 Ca -0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1xax h ALA 49 Cb 0.14 1.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1xax h ALA 49 CO 0.01 -0.90 -0.41 0.93 0.00 0.00 0.00 179.25 178.87 1xax h GLU 50 N -0.28 -0.38 0.09 0.00 5.08 -1.94 0.36 114.58 117.50 1xax h GLU 50 Ca 0.14 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1xax h GLU 50 Cb 0.57 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1xax h GLU 50 CO -0.66 -0.26 -0.33 0.66 -1.00 0.00 0.00 179.01 177.43 1xax h SER 51 N -0.40 -0.96 -0.35 1.42 4.64 -1.54 0.41 113.55 116.77 1xax h SER 51 Ca 0.03 0.11 0.10 0.00 -0.47 0.00 0.00 61.79 61.57 1xax h SER 51 Cb 0.49 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1xax h SER 51 CO -0.36 -0.41 0.33 0.45 -0.87 0.00 0.00 176.83 175.97 1xax h HIS 52 N -0.53 0.00 0.17 4.77 3.86 -0.56 0.28 115.15 123.14 1xax h HIS 52 Ca 0.04 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.93 1xax h HIS 52 Cb 0.58 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.06 1xax h HIS 52 CO -0.31 0.00 -1.49 1.49 0.86 0.00 0.00 177.93 178.48 1xax h GLU 53 N 0.00 0.35 0.54 2.45 4.22 0.14 -3.08 114.58 119.20 1xax h GLU 53 Ca 0.17 -0.60 -0.03 0.00 0.08 0.00 0.00 59.36 58.98 1xax h GLU 53 Cb 0.83 0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1xax h GLU 53 CO -0.00 1.25 -0.26 -0.07 -2.18 0.00 0.00 179.01 177.75 1xax h LEU 54 N 0.10 -0.61 -0.56 1.64 3.38 0.25 0.23 115.31 119.73 1xax h LEU 54 Ca -0.24 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.83 1xax h LEU 54 Cb 2.06 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 42.89 1xax h LEU 54 CO 0.20 -0.21 0.10 -0.55 0.09 0.00 0.00 178.44 178.08 1xax h ASN 55 N -1.16 -0.03 0.04 -0.43 -1.07 -0.76 0.79 115.58 112.96 1xax h ASN 55 Ca -0.07 0.11 -0.00 0.00 0.07 0.00 0.00 56.30 56.40 1xax h ASN 55 Cb 0.58 0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.98 1xax h ASN 55 CO 0.12 0.00 -0.02 -0.07 0.07 0.00 0.00 177.43 177.54 1xax h LEU 56 N 0.23 -0.04 -2.24 6.14 4.07 -1.61 0.31 115.31 122.17 1xax h LEU 56 Ca 0.29 -0.38 0.05 0.00 0.08 0.00 0.00 57.88 57.91 1xax h LEU 56 Cb 0.41 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1xax h LEU 56 CO -0.38 0.37 0.23 0.74 -1.08 0.00 0.00 178.44 178.31 1xax h THR 57 N -0.46 0.35 0.08 0.22 2.02 -0.00 -0.34 112.91 114.78 1xax h THR 57 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1xax h THR 57 Cb 0.42 0.81 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1xax h THR 57 CO 0.01 0.00 -0.54 1.88 0.37 0.00 0.00 175.52 177.24 1xax h TYR 58 N 0.00 0.30 0.00 3.16 0.05 0.12 -3.47 116.97 117.14 1xax h TYR 58 Ca 0.08 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1xax h TYR 58 Cb 0.54 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1xax h TYR 58 CO 0.00 1.21 0.00 2.89 -1.05 0.00 0.00 178.16 181.21 1xax n ARG 59 N -4.32 0.00 0.00 4.88 -4.01 0.10 -5.06 116.66 108.25 1xax n ARG 59 Ca -0.14 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.67 1xax n ARG 59 Cb 0.69 -0.12 0.00 0.00 -3.04 0.00 0.00 32.46 29.99 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 -0.43 0.98 0.00 2.89 0.00 -0.63 -4.92 105.19 103.07 1xax n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.22 -0.64 1.61 4.81 -1.23 -4.86 118.16 117.63 1xax n LYS 61 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 1xax n LYS 61 Cb 0.00 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.20 1xax n LYS 61 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xax n ASP 62 N -1.64 -2.72 -0.01 3.14 9.92 -1.26 -4.73 116.55 119.26 1xax n ASP 62 Ca 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.03 1xax n ASP 62 Cb 0.00 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1xax n ARG 63 N -1.42 3.66 -1.50 -1.24 3.00 -1.26 -4.78 116.66 113.12 1xax n ARG 63 Ca 0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.58 1xax n ARG 63 Cb 0.52 0.00 -0.20 0.00 0.00 0.00 0.00 32.46 32.78 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1xax n PRO 64 N -0.00 0.02 -0.47 5.56 -0.02 -1.26 -4.84 135.00 133.99 1xax n PRO 64 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1xax n PRO 64 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 6.22 0.00 0.00 3.45 5.66 -1.26 -5.09 114.28 123.26 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 0.11 -0.53 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 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 -0.66 3.19 -3.28 1.09 6.94 -1.26 -4.93 115.26 116.35 1xax n ASN 66 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.31 1xax n ASN 66 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 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 -2.42 -0.79 -2.73 3.53 0.31 -1.26 -4.21 118.33 110.76 1xax n VAL 67 Ca 0.00 -3.83 -0.33 0.00 -0.01 0.00 0.00 64.34 60.17 1xax n VAL 67 Cb 0.44 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.76 3.85 0.16 7.52 2.96 -1.04 -4.91 118.68 126.47 1xax s LEU 68 Ca 0.34 1.59 -0.08 0.00 -0.22 0.00 0.00 54.13 55.77 1xax s LEU 68 Cb 0.12 -4.47 -0.01 0.00 0.50 0.00 0.00 46.19 42.33 1xax s LEU 68 CO -0.14 -0.41 0.24 -0.44 -1.32 0.00 0.00 176.35 174.28 1xax s SER 69 N -2.49 0.09 -0.41 3.68 0.01 -1.26 0.04 113.70 113.35 1xax s SER 69 Ca 0.60 -0.92 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 1xax s SER 69 Cb -0.09 0.41 0.11 0.00 0.21 0.00 0.00 66.02 66.65 1xax s SER 69 CO 0.20 -0.86 0.21 -0.36 0.41 0.00 0.00 173.24 172.84 1xax s PHE 70 N -3.98 3.55 0.66 2.43 0.40 0.11 -4.79 117.98 116.36 1xax s PHE 70 Ca 0.18 -2.31 -0.11 0.00 -0.60 0.00 0.00 56.93 54.09 1xax s PHE 70 Cb 0.04 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.36 1xax s PHE 70 CO -0.00 -0.96 1.05 -1.25 0.70 0.00 0.00 175.22 174.75 1xax s PRO 71 N 1.18 3.24 -0.73 0.24 0.04 -1.26 0.09 135.00 137.80 1xax s PRO 71 Ca 0.07 0.84 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 1xax s PRO 71 Cb -0.23 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1xax s PRO 71 CO -0.03 -0.85 1.31 0.12 0.04 0.00 0.00 177.00 177.58 1xax s PHE 72 N -3.12 2.25 -0.95 0.56 5.36 -1.26 -4.83 117.98 116.00 1xax s PHE 72 Ca 0.57 0.00 -0.24 0.00 -0.96 0.00 0.00 56.93 56.30 1xax s PHE 72 Cb -0.12 -4.60 -0.16 0.00 -0.34 0.00 0.00 43.02 37.80 1xax s PHE 72 CO 0.54 -2.08 1.92 -0.85 -1.46 0.00 0.00 175.22 173.30 1xax n GLU 73 N 9.35 1.23 -4.05 10.12 0.28 -1.26 -4.79 120.64 131.52 1xax n GLU 73 Ca 0.04 -2.06 -0.10 0.00 -0.16 0.00 0.00 57.16 54.88 1xax n GLU 73 Cb 0.49 -3.42 -0.06 0.00 1.43 0.00 0.00 31.44 29.88 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xax s PRO 75 N -3.88 4.40 0.18 0.00 0.04 -1.26 -4.94 135.00 129.54 1xax s PRO 75 Ca 0.27 2.14 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 1xax s PRO 75 Cb 0.01 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.54 1xax s PRO 75 CO 0.11 -0.13 1.58 -0.44 0.04 0.00 0.00 177.00 178.16 1xax h ASP 76 N 3.60 0.90 0.00 6.66 5.19 -1.95 -3.33 116.42 127.48 1xax h ASP 76 Ca -0.48 -0.35 -0.54 0.00 -0.62 0.00 0.00 57.03 55.04 1xax h ASP 76 Cb 1.22 -0.25 0.03 0.00 0.18 0.00 0.00 39.33 40.51 1xax h ASP 76 CO 0.67 1.10 2.61 1.21 -3.12 0.00 0.00 179.24 181.71 1xax n GLU 77 N -4.10 2.02 -4.29 3.56 4.07 -1.26 -3.69 120.64 116.95 1xax n GLU 77 Ca -0.00 -1.76 -0.18 0.00 -0.06 0.00 0.00 57.16 55.15 1xax n GLU 77 Cb 0.46 -2.74 -0.15 0.00 -0.06 0.00 0.00 31.44 28.96 1xax n GLU 77 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1xax s VAL 78 N 3.96 0.61 -1.00 6.31 -7.23 -1.25 -5.07 120.40 116.73 1xax s VAL 78 Ca 0.49 -0.31 -0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1xax s VAL 78 Cb 0.13 -0.53 0.29 0.00 0.56 0.00 0.00 36.38 36.83 1xax s VAL 78 CO 0.02 0.18 1.26 -0.62 -0.31 0.00 0.00 175.10 175.63 1xax n GLU 79 N 3.01 3.88 -3.70 4.82 1.02 -1.26 -4.29 120.64 124.13 1xax n GLU 79 Ca -0.15 -4.56 -0.12 0.00 -0.02 0.00 0.00 57.16 52.32 1xax n GLU 79 Cb 0.57 -2.46 -0.12 0.00 -0.02 0.00 0.00 31.44 29.40 1xax n GLU 79 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1xax s LEU 80 N -2.44 -0.01 0.34 -4.62 0.05 -1.26 -5.15 118.68 105.59 1xax s LEU 80 Ca 0.32 0.69 -0.29 0.00 0.05 0.00 0.00 54.13 54.90 1xax s LEU 80 Cb 0.04 0.95 -0.11 0.00 -2.05 0.00 0.00 46.19 45.02 1xax s LEU 80 CO 0.04 -0.20 1.53 -2.84 -0.55 0.00 0.00 176.35 174.33 1xax s PRO 81 N 1.73 4.12 -0.25 1.48 0.02 -1.26 -5.00 135.00 135.84 1xax s PRO 81 Ca -0.06 2.56 -0.34 0.00 0.02 0.00 0.00 61.00 63.19 1xax s PRO 81 Cb -0.10 -3.00 0.16 0.00 0.02 0.00 0.00 34.50 31.58 1xax s PRO 81 CO -0.10 -0.57 1.30 -0.48 -0.33 0.00 0.00 177.00 176.82 1xax s LEU 82 N -1.38 -0.08 0.00 -5.54 0.05 -1.26 -4.39 118.68 106.08 1xax s LEU 82 Ca 0.57 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.79 1xax s LEU 82 Cb -0.47 1.20 0.00 0.00 -2.05 0.00 0.00 46.19 44.87 1xax s LEU 82 CO 0.56 -0.10 0.00 0.18 -0.55 0.00 0.00 176.35 176.44 1xax n LEU 83 N 0.20 0.00 0.00 1.48 7.99 0.26 -4.83 117.00 122.10 1xax n LEU 83 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1xax n LEU 83 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1xax n LEU 83 CO 0.08 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.57 1xax n GLY 84 N 2.23 -1.81 3.47 -0.72 0.00 -1.14 -4.77 105.19 102.45 1xax n GLY 84 Ca 0.00 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.79 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 3.41 0.21 1.61 2.15 0.11 0.02 116.67 120.18 1xax s ASP 85 Ca 0.00 -1.10 0.01 0.00 0.43 0.00 0.00 52.55 51.90 1xax s ASP 85 Cb 0.00 -0.28 -0.05 0.00 -0.30 0.00 0.00 42.92 42.29 1xax s ASP 85 CO 0.00 -0.10 0.04 -0.76 -0.17 0.00 0.00 175.17 174.18 1xax s LEU 86 N -3.51 1.89 -0.47 -1.34 1.43 -0.69 0.04 118.68 116.02 1xax s LEU 86 Ca 0.30 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 1xax s LEU 86 Cb -0.01 -0.00 0.18 0.00 0.03 0.00 0.00 46.19 46.39 1xax s LEU 86 CO 0.14 -0.64 0.57 -0.69 0.23 0.00 0.00 176.35 175.96 1xax s VAL 87 N -3.72 -0.48 0.36 -1.59 1.01 0.11 0.04 120.40 116.12 1xax s VAL 87 Ca 0.30 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.74 1xax s VAL 87 Cb 0.07 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1xax s VAL 87 CO 0.08 -0.48 0.41 -0.63 0.00 0.00 0.00 175.10 174.47 1xax s ILE 88 N 0.59 3.50 -0.11 2.22 1.09 0.69 -2.50 121.20 126.69 1xax s ILE 88 Ca 0.31 -1.19 -0.06 0.00 -1.10 0.00 0.00 60.65 58.61 1xax s ILE 88 Cb 0.01 -3.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 1xax s ILE 88 CO -0.11 -0.12 0.13 0.00 -0.10 0.00 0.00 174.94 174.75 1xax n ARG 90 N 1.94 0.85 0.01 0.00 0.63 -1.26 -3.69 116.66 115.13 1xax n ARG 90 Ca -0.19 -0.32 -0.22 0.00 -0.92 0.00 0.00 57.85 56.20 1xax n ARG 90 Cb 0.55 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 31.83 1xax n ARG 90 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1xax h GLN 91 N 0.78 0.27 0.00 -0.14 3.07 -1.94 -3.22 115.11 113.93 1xax h GLN 91 Ca 0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 58.65 58.29 1xax h GLN 91 Cb 0.35 0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.08 1xax h GLN 91 CO 0.00 1.22 -0.00 -0.39 0.09 0.00 0.00 178.83 179.75 1xax h VAL 92 N -0.07 1.68 -0.14 1.86 -1.51 -1.96 -2.73 116.25 113.38 1xax h VAL 92 Ca -0.39 -2.16 -0.05 0.00 -1.23 0.00 0.00 66.70 62.87 1xax h VAL 92 Cb 1.95 3.12 -0.00 0.00 -2.13 0.00 0.00 31.29 34.23 1xax h VAL 92 CO 0.07 0.55 -0.09 -0.37 -1.23 0.00 0.00 177.57 176.50 1xax h VAL 93 N -0.95 1.33 -0.33 7.19 -1.51 -1.80 0.12 116.25 120.31 1xax h VAL 93 Ca -0.00 -1.18 -0.02 0.00 -1.23 0.00 0.00 66.70 64.27 1xax h VAL 93 Cb 0.91 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 1xax h VAL 93 CO 0.00 0.34 0.12 -0.08 -1.23 0.00 0.00 177.57 176.73 1xax h GLU 94 N -0.05 0.46 -0.09 5.19 4.22 -1.73 0.28 114.58 122.86 1xax h GLU 94 Ca 0.03 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.30 1xax h GLU 94 Cb 0.59 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xax h GLU 94 CO 0.03 0.39 -0.38 -0.09 -2.18 0.00 0.00 179.01 176.77 1xax h ARG 95 N 0.46 0.41 -0.47 1.92 1.12 -1.34 0.35 114.38 116.84 1xax h ARG 95 Ca 0.11 -0.33 -0.01 0.00 -1.11 0.00 0.00 59.98 58.64 1xax h ARG 95 Cb 0.11 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 1xax h ARG 95 CO -0.01 0.96 0.24 0.93 -3.11 0.00 0.00 179.97 178.98 1xax h GLU 96 N -0.04 0.66 -0.15 0.20 3.07 -0.23 0.33 114.58 118.42 1xax h GLU 96 Ca -0.02 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.68 1xax h GLU 96 Cb 1.02 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1xax h GLU 96 CO 0.08 0.54 -0.19 0.00 -1.40 0.00 0.00 179.01 178.04 1xax h ALA 97 N 1.09 0.22 -0.85 3.43 0.00 -0.50 0.27 119.26 122.92 1xax h ALA 97 Ca 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xax h ALA 97 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xax h ALA 97 CO -0.02 0.15 0.53 1.03 0.00 0.00 0.00 179.25 180.94 1xax h SER 98 N 0.01 1.00 0.68 0.00 0.87 -0.15 -0.91 113.55 115.05 1xax h SER 98 Ca 0.02 -0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.34 1xax h SER 98 Cb 0.74 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1xax h SER 98 CO 0.04 0.75 -0.87 -0.08 -0.53 0.00 0.00 176.83 176.15 1xax h GLU 99 N 1.16 0.12 0.00 2.24 4.81 -0.33 -3.07 114.58 119.51 1xax h GLU 99 Ca 0.31 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1xax h GLU 99 Cb -0.08 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1xax h GLU 99 CO -0.06 0.91 0.00 1.96 -0.73 0.00 0.00 179.01 181.09 1xax h GLN 100 N 0.07 0.00 -3.52 1.92 1.08 0.12 -3.47 115.11 111.31 1xax h GLN 100 Ca -0.03 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.93 1xax h GLN 100 Cb 1.51 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 29.00 1xax h GLN 100 CO 0.13 0.00 -0.39 -1.91 -0.95 0.00 0.00 178.83 175.71 1xax n GLU 101 N -2.71 -4.11 -4.39 1.46 0.00 -0.40 -5.04 120.64 105.45 1xax n GLU 101 Ca 0.02 0.50 -0.24 0.00 0.00 0.00 0.00 57.16 57.44 1xax n GLU 101 Cb 0.30 -4.53 -0.09 0.00 0.00 0.00 0.00 31.44 27.12 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 -5.59 1.97 -0.02 5.31 3.01 -1.06 -5.08 119.74 118.28 1xax s LYS 102 Ca 0.29 -1.63 -0.30 0.00 -1.01 0.00 0.00 55.97 53.32 1xax s LYS 102 Cb -0.13 -1.94 -0.05 0.00 -1.01 0.00 0.00 37.83 34.70 1xax s LYS 102 CO 0.36 0.32 1.45 -1.25 0.51 0.00 0.00 175.35 176.74 1xax s PRO 103 N -3.60 4.25 0.63 -1.68 0.04 -1.26 -4.71 135.00 128.68 1xax s PRO 103 Ca 0.31 2.00 0.37 0.00 0.04 0.00 0.00 61.00 63.72 1xax s PRO 103 Cb -0.05 -3.66 2.11 0.00 0.04 0.00 0.00 34.50 32.94 1xax s PRO 103 CO 0.17 -0.64 2.30 -0.07 0.04 0.00 0.00 177.00 178.80 1xax h LEU 104 N 8.81 0.00 0.11 -3.56 3.38 -1.98 -2.65 115.31 119.42 1xax h LEU 104 Ca -0.37 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1xax h LEU 104 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1xax h LEU 104 CO 0.92 0.00 -0.37 0.24 0.09 0.00 0.00 178.44 179.32 1xax h MET 105 N 0.00 -0.58 -0.03 1.13 2.86 -2.00 0.17 114.93 116.49 1xax h MET 105 Ca 0.00 0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.51 1xax h MET 105 Cb 0.04 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1xax h MET 105 CO -0.00 -0.38 -0.76 0.00 1.06 0.00 0.00 176.91 176.83 1xax h ALA 106 N -0.03 0.65 0.00 6.32 0.00 -1.91 -2.79 119.26 121.50 1xax h ALA 106 Ca 0.03 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1xax h ALA 106 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xax h ALA 106 CO -0.22 0.83 -0.06 1.25 0.00 0.00 0.00 179.25 181.04 1xax h HIS 107 N 0.15 -0.16 -0.33 0.00 6.17 -1.11 0.22 115.15 120.09 1xax h HIS 107 Ca -0.03 0.01 -0.03 0.00 0.71 0.00 0.00 60.37 61.03 1xax h HIS 107 Cb 1.33 0.07 -0.01 0.00 2.52 0.00 0.00 27.41 31.32 1xax h HIS 107 CO 0.03 -0.10 0.10 -1.49 0.71 0.00 0.00 177.93 177.18 1xax h TRP 108 N -0.11 0.53 -0.94 5.26 4.06 -0.72 0.94 115.95 124.97 1xax h TRP 108 Ca 0.03 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 60.99 1xax h TRP 108 Cb 0.15 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.09 1xax h TRP 108 CO -0.13 0.53 0.60 0.00 -3.56 0.00 0.00 178.44 175.87 1xax h ALA 109 N 0.94 1.30 0.17 1.49 0.00 -1.23 0.22 119.26 122.16 1xax h ALA 109 Ca 0.11 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 1xax h ALA 109 Cb 0.25 -0.28 0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xax h ALA 109 CO -0.00 0.37 -1.21 1.25 0.00 0.00 0.00 179.25 179.66 1xax h HIS 110 N 1.09 0.89 -0.05 0.00 -0.00 -0.29 -3.10 115.15 113.68 1xax h HIS 110 Ca 0.41 -0.61 0.02 0.00 -0.00 0.00 0.00 60.37 60.19 1xax h HIS 110 Cb 0.17 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1xax h HIS 110 CO -0.01 1.46 -0.05 0.52 -0.00 0.00 0.00 177.93 179.85 1xax h MET 111 N 0.06 -0.05 -0.15 5.26 2.07 0.14 0.30 114.93 122.56 1xax h MET 111 Ca -0.20 0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.46 1xax h MET 111 Cb 1.93 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 31.64 1xax h MET 111 CO 0.23 -0.04 -0.02 -0.39 1.07 0.00 0.00 176.91 177.76 1xax h VAL 112 N -0.06 0.87 -0.28 -2.22 -1.51 -0.69 -1.93 116.25 110.44 1xax h VAL 112 Ca 0.04 -0.01 -0.07 0.00 -1.23 0.00 0.00 66.70 65.43 1xax h VAL 112 Cb 0.11 0.85 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 1xax h VAL 112 CO -0.09 0.00 -0.13 0.58 -1.23 0.00 0.00 177.57 176.71 1xax h VAL 113 N 0.02 1.23 0.30 7.19 2.07 -1.43 0.21 116.25 125.84 1xax h VAL 113 Ca 0.07 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1xax h VAL 113 Cb 0.10 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1xax h VAL 113 CO -0.14 0.33 -0.18 1.12 0.02 0.00 0.00 177.57 178.72 1xax h HIS 114 N 0.44 -0.46 0.00 1.57 2.07 0.18 -1.76 115.15 117.18 1xax h HIS 114 Ca 0.08 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1xax h HIS 114 Cb 0.49 0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.63 1xax h HIS 114 CO 0.02 -0.28 0.00 0.78 -3.07 0.00 0.00 177.93 175.38 1xax h GLY 115 N -0.46 0.00 0.42 6.13 0.00 -1.28 -2.70 103.07 105.19 1xax h GLY 115 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xax h GLY 115 CO 0.04 0.00 -0.05 0.23 0.00 0.00 0.00 176.54 176.76 1xax h SER 116 N 0.00 -0.12 0.00 0.19 0.87 -0.23 -3.06 113.55 111.20 1xax h SER 116 Ca 0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1xax h SER 116 Cb 0.81 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1xax h SER 116 CO 0.00 0.43 -0.04 0.25 -0.53 0.00 0.00 176.83 176.93 1xax h LEU 117 N -0.71 0.00 -1.68 2.23 6.46 -1.44 -2.63 115.31 117.54 1xax h LEU 117 Ca -0.01 0.00 0.21 0.00 -0.12 0.00 0.00 57.88 57.96 1xax h LEU 117 Cb 0.55 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1xax h LEU 117 CO 0.02 0.45 0.77 -0.74 -0.62 0.00 0.00 178.44 178.32 1xax h HIS 118 N -0.86 0.00 0.00 1.25 2.76 -1.67 1.24 115.15 117.87 1xax h HIS 118 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1xax h HIS 118 Cb 0.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1xax h HIS 118 CO -0.02 0.00 -1.84 -0.11 -1.30 0.00 0.00 177.93 174.66 1xax n LEU 119 N -3.60 0.15 0.00 0.26 0.00 -1.16 -4.80 117.00 107.85 1xax n LEU 119 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.16 1xax n LEU 119 Cb 1.02 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 44.44 1xax n LEU 119 CO 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 177.39 177.53 1xax n LEU 120 N -2.24 0.73 -2.08 -1.96 -0.00 0.65 -4.85 117.00 107.27 1xax n LEU 120 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1xax n LEU 120 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1xax n LEU 120 CO 0.45 0.07 0.12 0.61 -0.00 0.00 0.00 177.39 178.65 1xax n GLY 121 N 2.05 -0.60 0.33 1.47 0.00 0.40 -4.85 105.19 103.99 1xax n GLY 121 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.33 0.00 -0.72 1.61 4.11 -1.26 -4.07 117.16 115.51 1xax n TYR 122 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.83 1xax n TYR 122 Cb 0.50 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.34 39.79 1xax n TYR 122 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1xax n ASP 123 N 0.08 5.54 0.00 9.48 5.75 -1.26 -4.81 116.55 131.33 1xax n ASP 123 Ca 0.00 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 1xax n ASP 123 Cb 0.04 -1.19 0.00 0.00 -1.03 0.00 0.00 41.12 38.94 1xax n ASP 123 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xax n HIS 124 N 1.53 0.00 -0.72 2.11 8.25 -1.26 -4.58 115.22 120.55 1xax n HIS 124 Ca 0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.30 1xax n HIS 124 Cb 0.61 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.87 1xax n HIS 124 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1xax n ILE 125 N 0.00 0.00 -0.01 1.59 5.41 -1.24 -4.83 119.36 120.28 1xax n ILE 125 Ca 0.00 -0.17 -0.00 0.00 1.00 0.00 0.00 62.75 63.58 1xax n ILE 125 Cb 0.00 -0.76 -0.00 0.00 -0.71 0.00 0.00 39.64 38.17 1xax n ILE 125 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xax h GLU 126 N -1.82 -0.01 0.00 0.38 4.57 -1.93 -3.21 114.58 112.56 1xax h GLU 126 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1xax h GLU 126 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1xax h GLU 126 CO 0.38 -0.01 -0.61 -0.25 -1.18 0.00 0.00 179.01 177.34 1xax n ASP 127 N -2.74 0.62 0.00 1.04 9.92 -1.26 -3.94 116.55 120.19 1xax n ASP 127 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xax n ASP 127 Cb 0.00 0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 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 -1.91 0.00 -0.40 -2.24 9.92 -1.26 -4.24 116.55 116.42 1xax n ASP 128 Ca 0.04 0.00 0.34 0.00 -0.53 0.00 0.00 54.79 54.64 1xax n ASP 128 Cb 0.41 0.00 0.66 0.00 -0.64 0.00 0.00 41.12 41.55 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 0.14 -0.25 -1.24 4.57 -1.84 0.68 114.58 116.64 1xax h GLU 129 Ca 0.00 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1xax h GLU 129 Cb 0.00 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1xax h GLU 129 CO 0.00 0.09 -0.07 0.00 -1.18 0.00 0.00 179.01 177.85 1xax h ALA 130 N 1.48 0.16 0.97 2.92 0.00 -1.67 1.00 119.26 124.12 1xax h ALA 130 Ca 0.68 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.64 1xax h ALA 130 Cb 2.27 0.20 0.01 0.00 0.00 0.00 0.00 17.79 20.27 1xax h ALA 130 CO -0.20 -0.47 -0.47 1.49 0.00 0.00 0.00 179.25 179.60 1xax h GLU 131 N -0.01 -1.26 -1.00 0.00 4.57 -1.04 0.35 114.58 116.20 1xax h GLU 131 Ca 0.12 0.09 0.16 0.00 -1.18 0.00 0.00 59.36 58.55 1xax h GLU 131 Cb 0.19 0.29 -0.09 0.00 -0.16 0.00 0.00 28.75 28.97 1xax h GLU 131 CO -0.26 -0.84 0.62 0.93 -1.18 0.00 0.00 179.01 178.28 1xax h GLU 132 N -1.32 0.83 0.37 1.92 5.08 -1.37 0.19 114.58 120.28 1xax h GLU 132 Ca -0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1xax h GLU 132 Cb 1.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xax h GLU 132 CO 0.22 0.55 -0.18 1.98 -1.00 0.00 0.00 179.01 180.58 1xax h MET 133 N 0.86 -0.48 -0.43 2.33 4.05 0.13 1.08 114.93 122.46 1xax h MET 133 Ca 0.54 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 60.06 1xax h MET 133 Cb 0.72 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.56 1xax h MET 133 CO -0.32 -0.22 0.04 0.93 0.23 0.00 0.00 176.91 177.58 1xax h GLU 134 N -0.69 0.16 -0.32 0.39 3.07 0.57 0.15 114.58 117.90 1xax h GLU 134 Ca -0.05 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 1xax h GLU 134 Cb 0.49 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1xax h GLU 134 CO 0.08 0.10 -0.23 1.03 -1.40 0.00 0.00 179.01 178.60 1xax h SER 135 N 0.16 0.63 0.13 1.42 0.87 -0.58 0.39 113.55 116.56 1xax h SER 135 Ca 0.21 -0.21 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1xax h SER 135 Cb 0.29 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1xax h SER 135 CO -0.32 0.84 -0.14 0.25 -0.53 0.00 0.00 176.83 176.94 1xax h LEU 136 N 0.55 -0.37 -0.32 2.23 7.12 0.29 0.32 115.31 125.13 1xax h LEU 136 Ca 0.08 0.04 -0.19 0.00 0.13 0.00 0.00 57.88 57.93 1xax h LEU 136 Cb 0.69 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.94 1xax h LEU 136 CO 0.05 -0.21 -0.85 -0.08 -0.13 0.00 0.00 178.44 177.22 1xax h GLU 137 N -0.30 0.23 -0.56 1.25 4.22 -0.70 -3.14 114.58 115.57 1xax h GLU 137 Ca 0.01 -0.23 -0.09 0.00 0.08 0.00 0.00 59.36 59.12 1xax h GLU 137 Cb 0.29 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1xax h GLU 137 CO -0.04 0.95 0.00 1.15 -2.18 0.00 0.00 179.01 178.89 1xax h THR 138 N 0.13 1.26 -0.29 0.32 2.02 0.04 0.21 112.91 116.60 1xax h THR 138 Ca -0.04 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 65.96 1xax h THR 138 Cb 1.46 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1xax h THR 138 CO 0.13 0.39 -0.14 -0.61 0.37 0.00 0.00 175.52 175.67 1xax h GLN 139 N 0.89 0.60 0.02 6.66 4.15 -0.41 1.39 115.11 128.41 1xax h GLN 139 Ca 0.16 -0.26 -0.23 0.00 0.77 0.00 0.00 58.65 59.09 1xax h GLN 139 Cb 0.51 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1xax h GLN 139 CO 0.03 0.84 -0.97 -0.84 -1.93 0.00 0.00 178.83 175.95 1xax h ILE 140 N 0.35 1.42 0.00 2.39 3.07 -1.50 -1.28 117.51 121.97 1xax h ILE 140 Ca 0.06 -2.54 -0.05 0.00 1.55 0.00 0.00 64.86 63.89 1xax h ILE 140 Cb 0.65 2.49 -0.01 0.00 -0.27 0.00 0.00 36.82 39.68 1xax h ILE 140 CO 0.04 0.75 -0.46 0.24 -1.05 0.00 0.00 178.15 177.68 1xax h MET 141 N 0.20 0.00 0.13 0.16 2.86 -0.58 -3.39 114.93 114.31 1xax h MET 141 Ca -0.08 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.26 1xax h MET 141 Cb 1.62 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.27 1xax h MET 141 CO 0.16 0.33 -1.55 1.96 1.06 0.00 0.00 176.91 178.88 1xax h GLN 142 N -1.00 0.28 -1.31 1.72 4.20 0.12 -3.02 115.11 116.11 1xax h GLN 142 Ca -0.07 -0.48 0.38 0.00 0.06 0.00 0.00 58.65 58.54 1xax h GLN 142 Cb 0.60 0.18 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 1xax h GLN 142 CO -0.04 1.23 1.01 0.78 -0.67 0.00 0.00 178.83 181.13 1xax h GLY 143 N 0.29 0.00 0.00 3.46 0.00 0.22 0.25 103.07 107.28 1xax h GLY 143 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.71 1xax h GLY 143 CO 0.09 0.00 -2.25 1.04 0.00 0.00 0.00 176.54 175.42 1xax n LEU 144 N -3.97 0.00 -2.06 3.11 4.32 -1.19 -5.00 117.00 112.21 1xax n LEU 144 Ca 0.29 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.24 1xax n LEU 144 Cb 1.42 0.39 0.02 0.00 -1.62 0.00 0.00 43.42 43.63 1xax n LEU 144 CO 0.39 0.39 0.03 0.61 -1.22 0.00 0.00 177.39 177.59 1xax n GLY 145 N 1.74 0.04 0.00 -0.72 0.00 0.86 -5.12 105.19 101.99 1xax n GLY 145 Ca -0.27 0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.83 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01