#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 4.96 -0.01 0.44 0.11 -0.78 -0.13 120.40 124.99 1xax s VAL 4 Ca 0.00 0.62 0.07 0.00 -2.93 0.00 0.00 61.98 59.74 1xax s VAL 4 Cb 0.00 -4.00 -0.02 0.00 -1.53 0.00 0.00 36.38 30.84 1xax s VAL 4 CO 0.00 -0.20 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.14 1xax s LEU 5 N 2.55 2.06 -0.06 2.54 2.96 0.13 -4.91 118.68 123.94 1xax s LEU 5 Ca 0.23 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1xax s LEU 5 Cb -0.15 -1.12 0.01 0.00 0.50 0.00 0.00 46.19 45.43 1xax s LEU 5 CO 0.13 0.26 0.15 0.54 -1.32 0.00 0.00 176.35 176.11 1xax s VAL 6 N -0.55 0.00 -0.18 1.68 0.11 -1.26 0.34 120.40 120.55 1xax s VAL 6 Ca 0.08 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1xax s VAL 6 Cb -0.08 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1xax s VAL 6 CO -0.01 -0.00 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.04 1xax s ASP 7 N 0.08 3.13 -0.35 3.54 2.15 0.14 -4.94 116.67 120.42 1xax s ASP 7 Ca -0.00 -0.75 -0.07 0.00 0.43 0.00 0.00 52.55 52.16 1xax s ASP 7 Cb -0.01 -1.17 0.04 0.00 -0.30 0.00 0.00 42.92 41.48 1xax s ASP 7 CO 0.00 -0.13 0.13 -0.22 -0.17 0.00 0.00 175.17 174.78 1xax s LEU 8 N 1.46 4.44 0.05 -1.34 1.98 -1.26 0.61 118.68 124.62 1xax s LEU 8 Ca 0.01 -1.16 0.07 0.00 -2.89 0.00 0.00 54.13 50.15 1xax s LEU 8 Cb -0.15 -1.89 -0.03 0.00 0.66 0.00 0.00 46.19 44.78 1xax s LEU 8 CO -0.09 -0.35 -0.20 0.00 -1.89 0.00 0.00 176.35 173.83 1xax s GLN 9 N 1.42 1.29 0.18 1.98 -2.07 0.02 -3.77 119.66 118.71 1xax s GLN 9 Ca -0.01 -0.93 0.09 0.00 -1.82 0.00 0.00 55.36 52.70 1xax s GLN 9 Cb -0.20 -1.40 -0.04 0.00 -1.09 0.00 0.00 33.01 30.28 1xax s GLN 9 CO 0.03 0.35 -0.19 -1.50 -1.32 0.00 0.00 175.29 172.66 1xax s ILE 10 N -0.84 1.98 -0.39 3.63 2.07 -1.26 0.20 121.20 126.60 1xax s ILE 10 Ca 0.06 -1.99 0.11 0.00 -1.41 0.00 0.00 60.65 57.42 1xax s ILE 10 Cb -0.09 -1.95 0.34 0.00 0.13 0.00 0.00 42.46 40.89 1xax s ILE 10 CO 0.02 -0.29 0.78 0.00 -1.91 0.00 0.00 174.94 173.54 1xax n ALA 11 N 0.19 1.55 -3.54 1.50 0.00 0.22 -4.87 120.51 115.56 1xax n ALA 11 Ca -0.12 -3.07 -0.20 0.00 0.00 0.00 0.00 53.44 50.05 1xax n ALA 11 Cb 0.57 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 19.07 1xax n ALA 11 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xax n THR 12 N 0.38 0.00 -0.09 0.00 -2.24 -1.26 -4.15 114.28 106.91 1xax n THR 12 Ca 0.22 -1.52 -0.16 0.00 -2.27 0.00 0.00 64.05 60.32 1xax n THR 12 Cb 0.66 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 1xax n THR 12 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1xax n GLU 13 N -1.59 0.43 -3.34 -0.78 0.28 -1.26 -5.04 120.64 109.35 1xax n GLU 13 Ca 0.03 0.14 0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1xax n GLU 13 Cb 0.45 -1.28 -0.04 0.00 1.43 0.00 0.00 31.44 32.00 1xax n GLU 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xax s ASN 14 N -6.19 -0.47 0.30 -1.84 2.20 -1.26 -5.18 114.94 102.50 1xax s ASN 14 Ca -0.25 0.62 0.04 0.00 -0.94 0.00 0.00 52.86 52.33 1xax s ASN 14 Cb 0.08 1.52 -0.02 0.00 -2.00 0.00 0.00 41.25 40.84 1xax s ASN 14 CO 0.38 -0.09 0.15 2.30 -2.94 0.00 0.00 177.10 176.90 1xax n ILE 15 N 4.92 0.00 -1.40 0.54 -6.64 -1.26 -5.04 119.36 110.49 1xax n ILE 15 Ca -0.08 -1.87 -0.35 0.00 -1.77 0.00 0.00 62.75 58.68 1xax n ILE 15 Cb 0.53 0.76 -0.05 0.00 -1.44 0.00 0.00 39.64 39.44 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 -0.64 3.56 0.00 6.28 2.13 -1.26 -4.74 120.64 125.97 1xax n GLU 16 Ca -0.01 -2.26 0.00 0.00 0.66 0.00 0.00 57.16 55.55 1xax n GLU 16 Cb 0.47 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.56 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 2.96 2.23 3.81 8.31 0.00 -1.26 -5.08 105.19 116.17 1xax n GLY 17 Ca 0.69 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1xax n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xax s LEU 18 N 0.00 3.24 -0.07 0.99 2.01 -1.26 -5.00 118.68 118.58 1xax s LEU 18 Ca 0.00 1.68 -0.24 0.00 0.01 0.00 0.00 54.13 55.58 1xax s LEU 18 Cb 0.00 -4.51 -0.29 0.00 0.01 0.00 0.00 46.19 41.40 1xax s LEU 18 CO 0.00 -1.37 0.88 1.55 1.01 0.00 0.00 176.35 178.42 1xax h PRO 19 N -0.38 0.21 -4.28 1.29 0.13 -2.00 -3.51 132.00 123.47 1xax h PRO 19 Ca -0.45 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1xax h PRO 19 Cb 1.21 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1xax h PRO 19 CO 0.57 1.15 -0.99 0.25 -0.23 0.00 0.00 178.00 178.74 1xax n THR 20 N -4.29 -7.15 -0.16 1.56 -2.24 -1.26 -4.06 114.28 96.67 1xax n THR 20 Ca -0.12 2.87 -0.08 0.00 -2.27 0.00 0.00 64.05 64.45 1xax n THR 20 Cb 0.70 -3.87 0.01 0.00 -2.10 0.00 0.00 70.33 65.07 1xax n THR 20 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1xax h GLU 21 N 3.34 0.67 -0.54 -0.78 9.09 -1.98 -2.56 114.58 121.82 1xax h GLU 21 Ca 0.00 -0.09 0.10 0.00 0.05 0.00 0.00 59.36 59.41 1xax h GLU 21 Cb 0.00 -0.12 -0.11 0.00 -1.65 0.00 0.00 28.75 26.87 1xax h GLU 21 CO 0.00 0.56 -0.35 1.49 0.05 0.00 0.00 179.01 180.76 1xax h GLU 22 N 0.61 -0.19 0.23 1.06 4.81 -1.91 1.20 114.58 120.40 1xax h GLU 22 Ca 0.16 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1xax h GLU 22 Cb 0.10 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xax h GLU 22 CO -0.02 -0.13 -0.11 0.37 -0.73 0.00 0.00 179.01 178.39 1xax h GLN 23 N -0.20 -0.30 0.07 1.92 5.75 -1.75 0.11 115.11 120.72 1xax h GLN 23 Ca 0.21 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1xax h GLN 23 Cb 0.55 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 1xax h GLN 23 CO -0.64 -0.20 -0.37 0.82 -2.65 0.00 0.00 178.83 175.78 1xax h ILE 24 N -0.32 0.00 -0.19 2.39 1.08 -1.26 0.81 117.51 120.03 1xax h ILE 24 Ca -0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.47 1xax h ILE 24 Cb 0.24 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.92 1xax h ILE 24 CO 0.05 0.00 -0.54 0.58 -0.69 0.00 0.00 178.15 177.56 1xax h VAL 25 N -0.53 0.01 0.03 1.67 2.07 0.14 0.17 116.25 119.81 1xax h VAL 25 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1xax h VAL 25 Cb 0.53 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1xax h VAL 25 CO -0.21 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.65 1xax h GLN 26 N -0.54 -0.21 0.09 1.57 4.15 -0.62 1.71 115.11 121.25 1xax h GLN 26 Ca 0.05 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1xax h GLN 26 Cb 0.66 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1xax h GLN 26 CO -0.47 -0.14 -0.42 2.35 -1.93 0.00 0.00 178.83 178.22 1xax h TRP 27 N -0.22 -1.21 0.00 3.99 -0.00 0.11 0.85 115.95 119.47 1xax h TRP 27 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1xax h TRP 27 Cb 0.26 0.52 0.00 0.00 -0.00 0.00 0.00 29.16 29.94 1xax h TRP 27 CO -0.17 -0.47 0.00 0.00 -0.00 0.00 0.00 178.44 177.80 1xax n ALA 28 N -2.83 0.00 0.08 2.65 0.00 0.54 -3.44 120.51 117.51 1xax n ALA 28 Ca -0.07 -0.01 0.21 0.00 0.00 0.00 0.00 53.44 53.57 1xax n ALA 28 Cb 0.32 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.50 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 0.32 0.19 0.00 2.02 -0.17 -1.55 112.91 113.73 1xax h THR 29 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1xax h THR 29 Cb 0.00 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1xax h THR 29 CO 0.00 0.00 -0.09 1.23 0.37 0.00 0.00 175.52 177.03 1xax h GLY 30 N 0.00 -0.27 1.38 2.16 0.00 0.48 -1.08 103.07 105.74 1xax h GLY 30 Ca 0.21 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1xax h GLY 30 CO -0.00 -0.10 0.27 0.00 0.00 0.00 0.00 176.54 176.71 1xax h ALA 31 N 0.05 1.57 0.00 3.60 0.00 -1.01 0.16 119.26 123.63 1xax h ALA 31 Ca -0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1xax h ALA 31 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xax h ALA 31 CO 0.04 -0.34 -1.21 0.28 0.00 0.00 0.00 179.25 178.02 1xax n VAL 32 N -3.34 0.92 -0.21 0.00 0.31 -1.08 -4.39 118.33 110.54 1xax n VAL 32 Ca 0.01 -0.62 -0.07 0.00 -0.01 0.00 0.00 64.34 63.64 1xax n VAL 32 Cb 0.37 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.72 1xax n VAL 32 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1xax h GLN 33 N 0.00 -0.20 -0.97 5.55 1.08 0.66 0.17 115.11 121.39 1xax h GLN 33 Ca -0.08 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 57.29 1xax h GLN 33 Cb 1.30 0.05 -0.17 0.00 -0.05 0.00 0.00 27.48 28.61 1xax h GLN 33 CO 0.02 -0.13 -0.34 -2.30 -0.95 0.00 0.00 178.83 175.13 1xax n PRO 34 N -5.41 -0.19 -2.07 1.46 -0.01 -1.26 -1.21 135.00 126.31 1xax n PRO 34 Ca 0.02 1.51 -0.26 0.00 -0.01 0.00 0.00 63.50 64.76 1xax n PRO 34 Cb 0.35 -2.24 0.02 0.00 -0.01 0.00 0.00 33.50 31.62 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 -5.48 3.45 -2.33 -0.52 2.13 -0.85 -5.05 120.64 111.98 1xax n GLU 35 Ca 0.12 -4.14 -0.25 0.00 0.66 0.00 0.00 57.16 53.55 1xax n GLU 35 Cb 0.42 -2.27 0.07 0.00 0.27 0.00 0.00 31.44 29.93 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 -3.31 1.74 0.40 8.31 0.00 0.54 -4.92 107.32 110.08 1xax s GLY 36 Ca 0.52 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 44.13 1xax s GLY 36 CO -0.04 -0.72 0.12 0.70 0.00 0.00 0.00 173.10 173.16 1xax n ASN 37 N -2.83 1.46 -4.62 1.64 4.13 -1.26 -4.75 115.26 109.03 1xax n ASN 37 Ca 0.09 -3.08 -0.43 0.00 1.68 0.00 0.00 54.58 52.84 1xax n ASN 37 Cb 0.60 0.91 -0.03 0.00 -1.54 0.00 0.00 39.78 39.73 1xax n ASN 37 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1xax s GLU 38 N -3.52 3.60 0.11 3.52 -6.30 -1.26 -1.87 118.70 112.99 1xax s GLU 38 Ca 0.18 1.56 -0.25 0.00 -2.50 0.00 0.00 54.97 53.95 1xax s GLU 38 Cb 0.01 -4.11 0.07 0.00 0.00 0.00 0.00 34.13 30.10 1xax s GLU 38 CO 0.12 -1.54 0.81 0.14 0.02 0.00 0.00 175.26 174.81 1xax s VAL 39 N 5.93 0.00 -0.12 3.70 -7.23 0.81 -4.64 120.40 118.85 1xax s VAL 39 Ca 0.75 -0.30 -0.03 0.00 -1.81 0.00 0.00 61.98 60.60 1xax s VAL 39 Cb -0.24 -1.38 0.04 0.00 0.56 0.00 0.00 36.38 35.37 1xax s VAL 39 CO 0.32 0.00 0.04 -0.70 -0.31 0.00 0.00 175.10 174.45 1xax s GLU 40 N -3.43 0.38 -0.37 4.82 2.12 -1.25 0.19 118.70 121.17 1xax s GLU 40 Ca 0.07 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.41 1xax s GLU 40 Cb -0.02 -1.38 0.11 0.00 0.26 0.00 0.00 34.13 33.09 1xax s GLU 40 CO -0.05 -0.48 0.09 1.41 -0.54 0.00 0.00 175.26 175.69 1xax s MET 41 N 2.01 1.58 -0.24 4.30 1.75 0.15 -0.56 119.30 128.29 1xax s MET 41 Ca 0.03 -2.00 -0.10 0.00 -1.25 0.00 0.00 55.69 52.37 1xax s MET 41 Cb -0.14 -3.24 -0.05 0.00 2.84 0.00 0.00 34.83 34.24 1xax s MET 41 CO -0.06 -0.97 0.14 0.95 -0.65 0.00 0.00 175.02 174.42 1xax s THR 42 N 0.71 5.11 -0.03 10.11 -4.23 0.54 0.25 115.64 128.10 1xax s THR 42 Ca 0.12 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1xax s THR 42 Cb -0.20 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1xax s THR 42 CO -0.07 0.34 -0.07 0.54 -0.54 0.00 0.00 174.62 174.82 1xax s VAL 43 N 1.22 0.66 -0.05 2.29 0.11 0.20 0.10 120.40 124.94 1xax s VAL 43 Ca 0.07 -0.27 0.04 0.00 -2.93 0.00 0.00 61.98 58.89 1xax s VAL 43 Cb -0.14 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1xax s VAL 43 CO 0.05 0.22 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.27 1xax s ARG 44 N 0.37 1.87 -0.26 1.54 3.52 0.19 -0.80 118.95 125.38 1xax s ARG 44 Ca -0.05 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1xax s ARG 44 Cb -0.10 -1.62 0.05 0.00 -1.56 0.00 0.00 34.95 31.72 1xax s ARG 44 CO 0.00 0.25 -0.08 0.96 -0.81 0.00 0.00 175.30 175.63 1xax s ILE 45 N 0.03 2.55 0.08 4.11 -4.36 0.13 0.02 121.20 123.76 1xax s ILE 45 Ca -0.04 -1.37 -0.08 0.00 -0.26 0.00 0.00 60.65 58.90 1xax s ILE 45 Cb -0.12 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1xax s ILE 45 CO 0.02 0.05 0.17 0.54 0.24 0.00 0.00 174.94 175.96 1xax s VAL 46 N 1.21 0.15 1.06 8.37 0.11 -0.09 0.72 120.40 131.94 1xax s VAL 46 Ca -0.05 -1.24 -0.17 0.00 -2.93 0.00 0.00 61.98 57.59 1xax s VAL 46 Cb -0.19 -1.35 0.11 0.00 -1.53 0.00 0.00 36.38 33.42 1xax s VAL 46 CO -0.04 -0.69 0.00 -0.90 -3.33 0.00 0.00 175.10 170.14 1xax n ASP 47 N -0.03 -2.73 -0.03 3.54 5.75 -1.26 -3.95 116.55 117.84 1xax n ASP 47 Ca -0.15 -0.24 -0.15 0.00 -0.01 0.00 0.00 54.79 54.24 1xax n ASP 47 Cb 0.62 -0.82 -0.11 0.00 -1.03 0.00 0.00 41.12 39.78 1xax n ASP 47 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1xax h GLU 48 N -2.27 0.16 0.29 0.11 4.11 -1.96 -2.85 114.58 112.17 1xax h GLU 48 Ca -0.39 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1xax h GLU 48 Cb 1.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1xax h GLU 48 CO 0.26 0.87 -0.43 0.00 0.07 0.00 0.00 179.01 179.78 1xax h ALA 49 N 0.29 -0.86 0.17 1.06 0.00 -1.98 0.24 119.26 118.18 1xax h ALA 49 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xax h ALA 49 Cb 0.93 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1xax h ALA 49 CO 0.04 -1.04 -0.33 1.49 0.00 0.00 0.00 179.25 179.41 1xax h GLU 50 N -0.78 -0.57 0.03 0.00 4.81 -1.94 0.28 114.58 116.42 1xax h GLU 50 Ca -0.01 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1xax h GLU 50 Cb 0.73 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1xax h GLU 50 CO -0.14 -0.38 -0.26 0.66 -0.73 0.00 0.00 179.01 178.16 1xax h SER 51 N -0.59 -0.76 0.62 1.04 4.64 -1.39 0.34 113.55 117.45 1xax h SER 51 Ca 0.02 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1xax h SER 51 Cb 0.60 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1xax h SER 51 CO -0.16 -0.33 -0.50 0.45 -0.87 0.00 0.00 176.83 175.42 1xax h HIS 52 N -0.42 -1.36 -0.58 4.77 3.86 -0.32 0.24 115.15 121.34 1xax h HIS 52 Ca 0.05 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.43 1xax h HIS 52 Cb 0.48 0.51 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 1xax h HIS 52 CO -0.28 -0.69 0.42 1.05 0.86 0.00 0.00 177.93 179.29 1xax h GLU 53 N -1.08 0.00 0.13 2.45 4.11 -0.34 -1.57 114.58 118.27 1xax h GLU 53 Ca -0.08 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1xax h GLU 53 Cb 0.91 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1xax h GLU 53 CO 0.01 0.00 -0.06 1.25 0.07 0.00 0.00 179.01 180.28 1xax h LEU 54 N 0.00 -0.15 0.05 3.06 5.85 0.71 0.25 115.31 125.08 1xax h LEU 54 Ca 0.28 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1xax h LEU 54 Cb 1.10 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1xax h LEU 54 CO -0.00 0.36 -0.38 0.78 -0.34 0.00 0.00 178.44 178.86 1xax h ASN 55 N -0.71 -1.12 0.35 1.25 2.35 0.34 -0.06 115.58 117.98 1xax h ASN 55 Ca -0.02 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1xax h ASN 55 Cb 0.52 0.44 -0.00 0.00 0.05 0.00 0.00 38.32 39.33 1xax h ASN 55 CO 0.03 -0.44 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.16 1xax h LEU 56 N -0.57 0.00 -1.63 1.61 4.07 -1.42 0.25 115.31 117.62 1xax h LEU 56 Ca 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1xax h LEU 56 Cb 0.63 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 1xax h LEU 56 CO -0.26 0.14 0.20 0.74 -1.08 0.00 0.00 178.44 178.18 1xax h THR 57 N 0.00 1.10 0.00 0.22 2.02 0.14 -1.89 112.91 114.50 1xax h THR 57 Ca -0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1xax h THR 57 Cb 0.35 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1xax h THR 57 CO 0.02 0.10 -0.75 0.00 0.37 0.00 0.00 175.52 175.26 1xax n TYR 58 N -4.47 0.00 -2.01 3.16 0.18 -0.89 -4.85 117.16 108.29 1xax n TYR 58 Ca 0.02 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.80 1xax n TYR 58 Cb 0.08 -0.06 -0.00 0.00 -0.38 0.00 0.00 39.34 38.98 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 -1.41 0.00 -4.16 -3.48 -4.01 0.81 -5.03 116.66 99.38 1xax n ARG 59 Ca -0.00 -0.30 -0.30 0.00 -1.04 0.00 0.00 57.85 56.21 1xax n ARG 59 Cb 0.11 -0.10 -0.06 0.00 -3.04 0.00 0.00 32.46 29.36 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 0.01 -0.22 0.00 2.89 0.00 -0.71 -4.81 105.19 102.35 1xax n GLY 60 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.54 -0.69 0.00 1.61 4.81 -1.25 -4.82 118.16 113.27 1xax n LYS 61 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.13 1xax n LYS 61 Cb 0.69 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.74 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xax n ASP 62 N -1.81 0.00 -2.19 3.14 2.03 -1.26 -4.76 116.55 111.70 1xax n ASP 62 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1xax n ASP 62 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.75 -1.33 -0.67 1.74 -1.26 -4.88 116.66 111.01 1xax n ARG 63 Ca 0.00 -1.11 -0.33 0.00 -0.77 0.00 0.00 57.85 55.64 1xax n ARG 63 Cb 0.00 0.63 -0.15 0.00 -1.02 0.00 0.00 32.46 31.93 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 -0.29 0.00 -0.74 5.56 -0.02 -1.26 -4.86 135.00 133.40 1xax n PRO 64 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1xax n PRO 64 Cb 0.20 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 6.31 0.00 0.00 3.45 5.66 -1.26 -5.09 114.28 123.34 1xax n THR 65 Ca 0.59 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.59 1xax n THR 65 Cb 0.04 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.44 1xax n THR 65 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xax n ASN 66 N -0.81 3.54 -3.39 1.09 5.15 -1.26 -4.97 115.26 114.61 1xax n ASN 66 Ca 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 1xax n ASN 66 Cb 0.00 0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.20 1xax n ASN 66 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xax s VAL 67 N -1.86 0.05 -0.11 3.44 -7.23 -1.26 -3.81 120.40 109.63 1xax s VAL 67 Ca 0.00 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1xax s VAL 67 Cb 0.00 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1xax s VAL 67 CO 0.00 -0.94 0.09 -0.22 -0.31 0.00 0.00 175.10 173.71 1xax s LEU 68 N 0.84 4.07 0.36 1.32 2.96 -1.03 -4.87 118.68 122.33 1xax s LEU 68 Ca 0.23 0.34 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 1xax s LEU 68 Cb -0.13 -1.97 -0.07 0.00 0.50 0.00 0.00 46.19 44.53 1xax s LEU 68 CO -0.06 0.39 0.05 -0.44 -1.32 0.00 0.00 176.35 174.97 1xax s SER 69 N -0.95 2.88 -0.31 3.68 0.01 -1.26 0.10 113.70 117.85 1xax s SER 69 Ca 0.14 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.02 1xax s SER 69 Cb -0.12 -0.14 0.08 0.00 0.21 0.00 0.00 66.02 66.05 1xax s SER 69 CO 0.03 -0.58 0.00 -0.36 0.41 0.00 0.00 173.24 172.74 1xax s PHE 70 N -3.11 3.47 0.35 2.43 0.08 0.15 -4.84 117.98 116.51 1xax s PHE 70 Ca 0.35 -2.47 -0.26 0.00 0.12 0.00 0.00 56.93 54.67 1xax s PHE 70 Cb 0.09 -2.44 -0.09 0.00 -0.57 0.00 0.00 43.02 40.00 1xax s PHE 70 CO 0.16 -0.90 1.02 -1.25 -0.10 0.00 0.00 175.22 174.15 1xax s PRO 71 N 1.07 4.41 1.33 0.24 0.04 -1.26 -0.18 135.00 140.65 1xax s PRO 71 Ca 0.00 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1xax s PRO 71 Cb -0.20 -2.76 0.33 0.00 0.04 0.00 0.00 34.50 31.91 1xax s PRO 71 CO -0.05 0.08 1.02 -0.59 0.04 0.00 0.00 177.00 177.50 1xax s PHE 72 N -1.55 -0.18 -0.74 0.56 -0.71 -1.26 -4.76 117.98 109.34 1xax s PHE 72 Ca 0.52 0.52 -0.25 0.00 -1.04 0.00 0.00 56.93 56.68 1xax s PHE 72 Cb -0.23 -3.17 -0.14 0.00 -1.21 0.00 0.00 43.02 38.27 1xax s PHE 72 CO 0.29 -4.51 2.41 -0.85 -1.34 0.00 0.00 175.22 171.21 1xax n GLU 73 N -5.25 0.61 -1.51 1.99 0.28 -1.26 -4.84 120.64 110.66 1xax n GLU 73 Ca 0.13 -0.54 -0.44 0.00 -0.16 0.00 0.00 57.16 56.15 1xax n GLU 73 Cb 0.60 -3.34 -0.06 0.00 1.43 0.00 0.00 31.44 30.07 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xax h PRO 75 N 14.99 0.00 0.00 0.00 0.13 -2.00 -3.49 132.00 141.63 1xax h PRO 75 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1xax h PRO 75 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xax h PRO 75 CO 1.09 0.60 0.00 -0.25 -0.23 0.00 0.00 178.00 179.21 1xax n ASP 76 N -4.53 0.00 -0.42 1.44 9.92 -1.26 -4.98 116.55 116.72 1xax n ASP 76 Ca -0.20 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.11 1xax n ASP 76 Cb 0.48 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.03 1xax n ASP 76 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xax n GLU 77 N -0.46 0.62 -1.48 -1.24 0.00 -1.26 -4.98 120.64 111.84 1xax n GLU 77 Ca 0.00 -1.87 -0.10 0.00 0.00 0.00 0.00 57.16 55.19 1xax n GLU 77 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 31.44 30.47 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1xax n VAL 78 N -0.61 -0.08 -3.07 3.84 0.24 -1.26 -4.86 118.33 112.54 1xax n VAL 78 Ca 0.08 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.93 1xax n VAL 78 Cb 0.71 -1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 1xax n VAL 78 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xax s GLU 79 N -3.19 3.66 0.02 7.34 2.02 -1.26 -4.94 118.70 122.35 1xax s GLU 79 Ca 0.00 -2.10 -0.29 0.00 0.02 0.00 0.00 54.97 52.60 1xax s GLU 79 Cb 0.00 -4.76 0.10 0.00 0.10 0.00 0.00 34.13 29.57 1xax s GLU 79 CO 0.00 -1.60 1.04 -0.48 0.02 0.00 0.00 175.26 174.24 1xax s LEU 80 N 1.66 -0.20 -0.87 1.80 2.34 -1.26 -4.79 118.68 117.35 1xax s LEU 80 Ca 0.29 -0.17 -0.20 0.00 0.06 0.00 0.00 54.13 54.11 1xax s LEU 80 Cb -0.06 1.85 -0.22 0.00 -0.56 0.00 0.00 46.19 47.20 1xax s LEU 80 CO -0.09 -0.60 2.32 -2.65 -1.06 0.00 0.00 176.35 174.27 1xax n PRO 81 N -0.35 0.35 -3.64 1.48 -0.02 -1.26 -4.76 135.00 126.80 1xax n PRO 81 Ca -0.06 -0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 60.88 1xax n PRO 81 Cb 0.61 -2.65 -0.02 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 9.14 -0.03 0.00 2.45 0.05 -1.26 -4.43 118.68 124.59 1xax s LEU 82 Ca 1.08 0.00 0.00 0.00 0.05 0.00 0.00 54.13 55.27 1xax s LEU 82 Cb -0.42 1.10 0.00 0.00 -2.05 0.00 0.00 46.19 44.82 1xax s LEU 82 CO 0.27 -0.06 0.00 0.18 -0.55 0.00 0.00 176.35 176.20 1xax n LEU 83 N -0.01 0.00 0.00 1.48 4.32 0.28 -4.85 117.00 118.22 1xax n LEU 83 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1xax n LEU 83 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1xax n LEU 83 CO 0.08 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 1xax n GLY 84 N 2.06 -1.82 3.93 -0.72 0.00 -1.06 -4.85 105.19 102.72 1xax n GLY 84 Ca 0.00 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 1xax n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xax s ASP 85 N -4.00 6.37 0.09 1.61 1.01 0.75 -0.34 116.67 122.15 1xax s ASP 85 Ca 0.00 0.50 0.03 0.00 0.71 0.00 0.00 52.55 53.79 1xax s ASP 85 Cb 0.00 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 1xax s ASP 85 CO 0.00 -0.18 -0.10 -0.22 0.21 0.00 0.00 175.17 174.88 1xax s LEU 86 N -3.78 2.39 -0.38 1.23 0.20 0.28 0.30 118.68 118.93 1xax s LEU 86 Ca 0.40 -0.79 0.02 0.00 0.69 0.00 0.00 54.13 54.46 1xax s LEU 86 Cb -0.10 -0.27 0.15 0.00 -0.43 0.00 0.00 46.19 45.54 1xax s LEU 86 CO 0.32 -0.27 0.28 -0.69 -0.29 0.00 0.00 176.35 175.70 1xax s VAL 87 N -2.36 0.18 0.25 1.68 1.01 0.29 0.52 120.40 121.97 1xax s VAL 87 Ca 0.04 -2.06 0.03 0.00 0.00 0.00 0.00 61.98 59.98 1xax s VAL 87 Cb -0.03 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1xax s VAL 87 CO -0.00 -1.06 0.41 -0.63 0.00 0.00 0.00 175.10 173.81 1xax s ILE 88 N 0.66 5.22 -0.58 2.22 1.01 0.10 -2.45 121.20 127.38 1xax s ILE 88 Ca 0.24 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1xax s ILE 88 Cb -0.11 -3.83 0.11 0.00 0.01 0.00 0.00 42.46 38.64 1xax s ILE 88 CO -0.08 -0.34 0.64 0.00 0.00 0.00 0.00 174.94 175.17 1xax h ARG 90 N 9.10 0.00 -0.88 0.00 2.43 -1.85 -0.59 114.38 122.59 1xax h ARG 90 Ca -0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1xax h ARG 90 Cb 1.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1xax h ARG 90 CO 1.08 0.00 0.54 1.96 -1.51 0.00 0.00 179.97 182.05 1xax h GLN 91 N 0.00 1.18 0.00 0.20 7.50 -1.91 -0.22 115.11 121.86 1xax h GLN 91 Ca 0.27 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.32 1xax h GLN 91 Cb 1.22 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 28.50 1xax h GLN 91 CO -0.00 0.81 -0.03 0.28 -1.50 0.00 0.00 178.83 178.39 1xax h VAL 92 N 1.21 0.00 -0.49 -0.54 2.07 -1.52 -2.77 116.25 114.20 1xax h VAL 92 Ca 0.32 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1xax h VAL 92 Cb -0.08 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.62 1xax h VAL 92 CO -0.06 0.00 0.09 -0.37 0.02 0.00 0.00 177.57 177.24 1xax h VAL 93 N -0.91 0.71 -0.40 2.57 -1.51 -1.59 0.25 116.25 115.38 1xax h VAL 93 Ca 0.00 -0.07 -0.05 0.00 -1.23 0.00 0.00 66.70 65.34 1xax h VAL 93 Cb 0.03 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 29.65 1xax h VAL 93 CO 0.00 0.04 0.02 -0.08 -1.23 0.00 0.00 177.57 176.32 1xax h GLU 94 N 0.22 0.63 0.45 5.19 4.57 -1.21 0.19 114.58 124.62 1xax h GLU 94 Ca 0.25 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1xax h GLU 94 Cb 0.33 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1xax h GLU 94 CO -0.33 0.64 -0.22 -0.09 -1.18 0.00 0.00 179.01 177.83 1xax h ARG 95 N 0.60 -0.58 -0.47 1.92 2.43 -0.80 0.61 114.38 118.10 1xax h ARG 95 Ca 0.13 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1xax h ARG 95 Cb 0.35 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1xax h ARG 95 CO 0.01 -0.28 0.31 1.05 -1.51 0.00 0.00 179.97 179.55 1xax h GLU 96 N -0.88 0.51 0.16 0.20 4.11 -0.46 0.19 114.58 118.41 1xax h GLU 96 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1xax h GLU 96 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xax h GLU 96 CO 0.10 0.34 -0.08 0.00 0.07 0.00 0.00 179.01 179.44 1xax h ALA 97 N 1.73 -0.22 0.00 1.06 0.00 -0.45 0.42 119.26 121.80 1xax h ALA 97 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xax h ALA 97 Cb 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xax h ALA 97 CO -0.05 -0.35 -0.02 0.77 0.00 0.00 0.00 179.25 179.60 1xax h SER 98 N -0.75 0.00 0.49 0.00 0.02 0.62 -1.19 113.55 112.74 1xax h SER 98 Ca -0.02 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.63 1xax h SER 98 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1xax h SER 98 CO 0.04 0.02 -1.56 -0.08 -1.14 0.00 0.00 176.83 174.11 1xax h GLU 99 N 0.00 0.17 -0.00 3.45 4.81 -0.56 -3.30 114.58 119.14 1xax h GLU 99 Ca -0.00 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1xax h GLU 99 Cb 0.06 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xax h GLU 99 CO 0.00 0.97 -0.22 0.37 -0.73 0.00 0.00 179.01 179.40 1xax h GLN 100 N 0.05 0.00 -3.80 1.92 5.75 0.96 -3.47 115.11 116.52 1xax h GLN 100 Ca -0.24 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.13 1xax h GLN 100 Cb 1.99 -0.00 0.08 0.00 1.07 0.00 0.00 27.48 30.62 1xax h GLN 100 CO 0.13 0.23 -0.34 -1.91 -2.65 0.00 0.00 178.83 174.29 1xax n GLU 101 N -4.27 -1.81 -4.07 1.69 2.13 -0.57 -5.07 120.64 108.67 1xax n GLU 101 Ca -0.02 0.36 -0.10 0.00 0.66 0.00 0.00 57.16 58.06 1xax n GLU 101 Cb 0.28 -3.60 -0.09 0.00 0.27 0.00 0.00 31.44 28.30 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 -4.05 1.01 -0.23 5.31 3.01 -1.25 -5.10 119.74 118.44 1xax s LYS 102 Ca 0.10 -1.32 -0.31 0.00 -1.01 0.00 0.00 55.97 53.43 1xax s LYS 102 Cb -0.01 0.30 -0.08 0.00 -1.01 0.00 0.00 37.83 37.02 1xax s LYS 102 CO 0.31 -0.32 2.16 -0.35 0.51 0.00 0.00 175.35 177.66 1xax n PRO 103 N -0.14 1.73 0.28 -1.68 -0.04 -1.26 -4.82 135.00 129.07 1xax n PRO 103 Ca -0.07 0.51 0.17 0.00 -0.04 0.00 0.00 63.50 64.08 1xax n PRO 103 Cb 0.63 -2.90 0.95 0.00 -0.04 0.00 0.00 33.50 32.15 1xax n PRO 103 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1xax h LEU 104 N 13.27 0.00 0.14 1.53 3.38 -1.99 -2.87 115.31 128.77 1xax h LEU 104 Ca -0.38 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1xax h LEU 104 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 1xax h LEU 104 CO 0.98 0.00 -0.49 -0.03 0.09 0.00 0.00 178.44 178.99 1xax h MET 105 N 0.00 -0.71 -0.48 1.13 4.05 -2.02 -1.79 114.93 115.12 1xax h MET 105 Ca 0.03 0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1xax h MET 105 Cb 0.20 0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 1xax h MET 105 CO -0.00 -0.47 0.21 0.00 0.23 0.00 0.00 176.91 176.88 1xax h ALA 106 N -0.41 1.48 -0.39 0.39 0.00 -1.86 -2.90 119.26 115.57 1xax h ALA 106 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1xax h ALA 106 Cb 0.74 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1xax h ALA 106 CO -0.26 0.41 -0.21 1.25 0.00 0.00 0.00 179.25 180.44 1xax h HIS 107 N 0.67 -0.54 0.02 0.00 6.17 -1.32 0.23 115.15 120.38 1xax h HIS 107 Ca 0.17 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.29 1xax h HIS 107 Cb 0.10 0.30 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 1xax h HIS 107 CO 0.01 -0.29 -0.03 -1.49 0.71 0.00 0.00 177.93 176.83 1xax h TRP 108 N -0.14 -0.08 -0.13 5.26 6.55 -1.24 0.92 115.95 127.09 1xax h TRP 108 Ca 0.19 0.00 0.05 0.00 0.95 0.00 0.00 58.89 60.08 1xax h TRP 108 Cb 0.44 0.03 -0.05 0.00 -0.86 0.00 0.00 29.16 28.72 1xax h TRP 108 CO -0.44 -0.05 -0.20 0.00 -1.05 0.00 0.00 178.44 176.70 1xax h ALA 109 N 0.91 -0.15 -0.45 1.49 0.00 -1.28 0.26 119.26 120.05 1xax h ALA 109 Ca 0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1xax h ALA 109 Cb 0.07 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1xax h ALA 109 CO -0.02 -0.66 -0.08 1.25 0.00 0.00 0.00 179.25 179.75 1xax h HIS 110 N -0.25 0.85 0.65 0.00 -0.00 -0.39 -2.91 115.15 113.10 1xax h HIS 110 Ca 0.10 -0.15 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1xax h HIS 110 Cb 0.40 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1xax h HIS 110 CO -0.31 0.83 -0.39 0.52 -0.00 0.00 0.00 177.93 178.59 1xax h MET 111 N 0.72 -0.94 -0.94 5.26 2.07 0.19 0.24 114.93 121.54 1xax h MET 111 Ca 0.13 0.06 0.21 0.00 -2.07 0.00 0.00 59.70 58.03 1xax h MET 111 Cb 0.55 0.21 -0.08 0.00 -1.87 0.00 0.00 31.60 30.42 1xax h MET 111 CO 0.03 -0.63 0.61 -0.39 1.07 0.00 0.00 176.91 177.61 1xax h VAL 112 N -0.97 0.67 0.00 -2.22 -1.51 -0.50 0.15 116.25 111.87 1xax h VAL 112 Ca -0.08 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1xax h VAL 112 Cb 0.78 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1xax h VAL 112 CO 0.09 0.09 -0.00 0.58 -1.23 0.00 0.00 177.57 177.10 1xax h VAL 113 N 0.48 1.52 -0.95 7.19 2.07 -1.25 0.23 116.25 125.54 1xax h VAL 113 Ca 0.50 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1xax h VAL 113 Cb 1.15 2.59 -0.06 0.00 -1.52 0.00 0.00 31.29 33.45 1xax h VAL 113 CO -0.22 0.41 0.62 1.12 0.02 0.00 0.00 177.57 179.52 1xax h HIS 114 N -0.68 1.14 0.18 1.57 2.07 0.40 -0.61 115.15 119.21 1xax h HIS 114 Ca -0.00 0.03 -0.30 0.00 -2.85 0.00 0.00 60.37 57.24 1xax h HIS 114 Cb 0.67 -0.38 0.02 0.00 2.57 0.00 0.00 27.41 30.29 1xax h HIS 114 CO 0.16 0.62 -1.38 0.78 -3.07 0.00 0.00 177.93 175.05 1xax h GLY 115 N 1.14 0.43 0.91 6.13 0.00 -0.79 -2.94 103.07 107.95 1xax h GLY 115 Ca 0.39 -1.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1xax h GLY 115 CO -0.14 0.96 -0.12 1.76 0.00 0.00 0.00 176.54 179.00 1xax h SER 116 N 0.10 -0.29 -0.60 0.19 0.02 -0.16 -2.27 113.55 110.54 1xax h SER 116 Ca -0.20 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1xax h SER 116 Cb 2.06 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 64.64 1xax h SER 116 CO 0.23 -0.13 0.25 0.25 -1.14 0.00 0.00 176.83 176.29 1xax h LEU 117 N -0.44 0.84 -1.44 5.07 6.46 -1.26 0.43 115.31 124.97 1xax h LEU 117 Ca -0.04 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1xax h LEU 117 Cb 0.33 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1xax h LEU 117 CO 0.06 0.76 0.09 0.45 -0.62 0.00 0.00 178.44 179.18 1xax h HIS 118 N 0.91 0.47 0.00 1.25 3.86 -1.36 1.03 115.15 121.30 1xax h HIS 118 Ca 0.21 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1xax h HIS 118 Cb 0.18 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1xax h HIS 118 CO 0.01 0.40 -1.92 -0.11 0.86 0.00 0.00 177.93 177.17 1xax n LEU 119 N -4.37 0.08 -0.02 2.43 -0.00 -0.87 -4.71 117.00 109.54 1xax n LEU 119 Ca 0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 56.01 56.02 1xax n LEU 119 Cb 0.16 0.02 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1xax n LEU 119 CO 0.37 0.01 -0.64 0.00 -0.00 0.00 0.00 177.39 177.13 1xax n LEU 120 N -2.33 1.92 -0.61 -1.96 -0.00 0.15 -4.99 117.00 109.18 1xax n LEU 120 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1xax n LEU 120 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1xax n LEU 120 CO 0.45 0.38 0.00 0.61 -0.00 0.00 0.00 177.39 178.83 1xax n GLY 121 N 3.08 0.37 0.28 1.47 0.00 0.35 -4.82 105.19 105.92 1xax n GLY 121 Ca -0.08 -0.52 0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.41 0.40 -0.65 1.61 4.02 -1.26 0.07 117.16 120.94 1xax n TYR 122 Ca 0.00 0.40 -0.04 0.00 -0.01 0.00 0.00 57.90 58.25 1xax n TYR 122 Cb 0.20 -0.78 -0.03 0.00 -0.02 0.00 0.00 39.34 38.71 1xax n TYR 122 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1xax n ASP 123 N -3.81 5.43 0.00 7.72 -0.08 -1.26 -4.66 116.55 119.89 1xax n ASP 123 Ca 0.23 -2.49 0.00 0.00 -1.51 0.00 0.00 54.79 51.03 1xax n ASP 123 Cb 0.92 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 43.19 1xax n ASP 123 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xax n HIS 124 N 1.61 0.00 -4.28 -0.67 8.25 0.11 -4.84 115.22 115.40 1xax n HIS 124 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.34 1xax n HIS 124 Cb 0.59 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 1xax n HIS 124 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1xax s ILE 125 N -1.04 2.73 -1.14 1.59 -4.36 -1.26 -4.98 121.20 112.74 1xax s ILE 125 Ca 0.00 -1.91 0.10 0.00 -0.26 0.00 0.00 60.65 58.58 1xax s ILE 125 Cb 0.00 -2.84 0.11 0.00 1.25 0.00 0.00 42.46 40.98 1xax s ILE 125 CO 0.00 -0.20 0.87 -1.84 0.24 0.00 0.00 174.94 174.01 1xax n GLU 126 N -1.00 0.75 -0.00 0.37 0.28 -1.26 -2.77 120.64 117.01 1xax n GLU 126 Ca -0.04 -1.22 -0.00 0.00 -0.16 0.00 0.00 57.16 55.74 1xax n GLU 126 Cb 0.62 -1.19 -0.00 0.00 1.43 0.00 0.00 31.44 32.30 1xax n GLU 126 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1xax h ASP 127 N 1.87 0.00 0.00 -1.84 5.19 -1.97 -3.43 116.42 116.24 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xax h ASP 127 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1xax h ASP 127 CO 0.00 0.04 0.00 0.47 -3.12 0.00 0.00 179.24 176.63 1xax n ASP 128 N -2.36 0.00 -0.08 6.45 9.92 -1.26 -4.55 116.55 124.67 1xax n ASP 128 Ca -0.00 0.02 0.24 0.00 -0.53 0.00 0.00 54.79 54.52 1xax n ASP 128 Cb 0.01 -0.10 0.52 0.00 -0.64 0.00 0.00 41.12 40.92 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 4.81 -1.91 -2.78 114.58 113.46 1xax h GLU 129 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xax h GLU 129 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xax h GLU 129 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.28 1xax n ALA 130 N -2.23 -0.14 -0.18 2.92 0.00 -1.12 0.13 120.51 119.90 1xax n ALA 130 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 1xax n ALA 130 Cb 1.21 0.33 0.07 0.00 0.00 0.00 0.00 19.45 21.05 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 0.48 0.53 0.00 3.07 -1.76 0.38 114.58 117.28 1xax h GLU 131 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1xax h GLU 131 Cb 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1xax h GLU 131 CO 0.00 0.32 -0.39 0.93 -1.40 0.00 0.00 179.01 178.47 1xax h GLU 132 N 0.49 -0.85 0.27 2.33 5.08 -1.52 0.34 114.58 120.72 1xax h GLU 132 Ca 0.25 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1xax h GLU 132 Cb 0.20 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xax h GLU 132 CO -0.20 -0.57 -0.16 1.98 -1.00 0.00 0.00 179.01 179.07 1xax h MET 133 N -0.88 -0.39 0.10 2.33 4.05 0.12 0.38 114.93 120.63 1xax h MET 133 Ca -0.07 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1xax h MET 133 Cb 0.73 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.57 1xax h MET 133 CO 0.03 -0.26 -0.45 1.49 0.23 0.00 0.00 176.91 177.95 1xax h GLU 134 N -0.40 -0.65 -0.49 0.39 4.57 -0.23 0.63 114.58 118.40 1xax h GLU 134 Ca -0.03 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1xax h GLU 134 Cb 0.33 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1xax h GLU 134 CO 0.04 -0.43 0.30 0.77 -1.18 0.00 0.00 179.01 178.51 1xax h SER 135 N -0.67 0.48 0.69 1.04 0.02 -0.27 0.29 113.55 115.12 1xax h SER 135 Ca 0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1xax h SER 135 Cb 0.70 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1xax h SER 135 CO -0.27 0.34 -0.44 0.25 -1.14 0.00 0.00 176.83 175.57 1xax h LEU 136 N 0.59 -1.12 -0.19 5.07 7.12 0.31 0.37 115.31 127.46 1xax h LEU 136 Ca 0.20 0.07 0.03 0.00 0.13 0.00 0.00 57.88 58.30 1xax h LEU 136 Cb 0.01 0.33 -0.03 0.00 -0.53 0.00 0.00 40.66 40.44 1xax h LEU 136 CO -0.08 -0.67 0.03 -0.08 -0.13 0.00 0.00 178.44 177.51 1xax h GLU 137 N -1.07 0.10 0.00 1.25 4.22 0.38 -0.69 114.58 118.79 1xax h GLU 137 Ca -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 1xax h GLU 137 Cb 0.86 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1xax h GLU 137 CO 0.08 0.07 -0.06 1.15 -2.18 0.00 0.00 179.01 178.06 1xax h THR 138 N 0.11 0.98 -0.01 0.32 2.02 -0.33 0.34 112.91 116.34 1xax h THR 138 Ca 0.09 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1xax h THR 138 Cb 0.09 1.12 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xax h THR 138 CO -0.12 0.06 -0.63 -0.61 0.37 0.00 0.00 175.52 174.59 1xax h GLN 139 N 0.00 0.45 0.02 6.66 4.15 0.74 0.48 115.11 127.60 1xax h GLN 139 Ca -0.00 -0.47 -0.20 0.00 0.77 0.00 0.00 58.65 58.75 1xax h GLN 139 Cb 0.11 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1xax h GLN 139 CO 0.01 1.12 -0.95 0.82 -1.93 0.00 0.00 178.83 177.90 1xax h ILE 140 N -0.03 1.61 0.00 2.39 2.04 -0.83 0.70 117.51 123.38 1xax h ILE 140 Ca -0.08 -3.04 -0.04 0.00 1.00 0.00 0.00 64.86 62.71 1xax h ILE 140 Cb 1.33 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1xax h ILE 140 CO 0.12 0.87 -0.47 0.24 0.00 0.00 0.00 178.15 178.91 1xax h MET 141 N 0.03 0.00 0.03 2.37 2.86 -0.41 -3.33 114.93 116.48 1xax h MET 141 Ca -0.03 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.33 1xax h MET 141 Cb 1.64 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.27 1xax h MET 141 CO 0.13 0.26 -1.51 1.96 1.06 0.00 0.00 176.91 178.81 1xax h GLN 142 N -1.00 0.07 -0.85 1.72 4.20 -0.35 -3.29 115.11 115.62 1xax h GLN 142 Ca -0.06 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.40 1xax h GLN 142 Cb 0.57 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 1xax h GLN 142 CO -0.04 0.80 0.16 0.41 -0.67 0.00 0.00 178.83 179.49 1xax n GLY 143 N 1.56 2.85 0.41 3.46 0.00 0.45 -4.13 105.19 109.78 1xax n GLY 143 Ca -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xax n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xax n LEU 144 N 0.03 1.33 0.00 0.99 -0.00 -1.02 -4.72 117.00 113.62 1xax n LEU 144 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1xax n LEU 144 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.40 1xax n LEU 144 CO 0.27 0.17 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 1xax n GLY 145 N 2.67 2.27 0.00 -3.96 0.00 -1.24 -5.08 105.19 99.84 1xax n GLY 145 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01