#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 5.29 -0.14 0.44 0.11 -1.26 0.30 120.40 125.14 1xax s VAL 4 Ca 0.00 -2.10 -0.16 0.00 -2.93 0.00 0.00 61.98 56.79 1xax s VAL 4 Cb 0.00 -4.57 -0.04 0.00 -1.53 0.00 0.00 36.38 30.24 1xax s VAL 4 CO 0.00 -1.18 0.39 -0.76 -3.33 0.00 0.00 175.10 170.22 1xax s LEU 5 N 1.12 4.26 0.05 2.54 1.02 0.82 -4.88 118.68 123.60 1xax s LEU 5 Ca 0.22 0.67 0.06 0.00 0.02 0.00 0.00 54.13 55.10 1xax s LEU 5 Cb -0.10 -2.55 -0.02 0.00 0.02 0.00 0.00 46.19 43.54 1xax s LEU 5 CO -0.08 0.05 -0.17 0.54 0.02 0.00 0.00 176.35 176.71 1xax s VAL 6 N 0.54 1.33 -0.29 -1.59 0.11 -1.26 -0.23 120.40 119.02 1xax s VAL 6 Ca 0.22 -1.14 -0.05 0.00 -2.93 0.00 0.00 61.98 58.07 1xax s VAL 6 Cb -0.14 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1xax s VAL 6 CO 0.07 0.03 0.04 -0.62 -3.33 0.00 0.00 175.10 171.29 1xax s ASP 7 N -1.30 4.92 -0.63 3.54 2.15 0.11 -4.95 116.67 120.51 1xax s ASP 7 Ca 0.03 -0.80 -0.06 0.00 0.43 0.00 0.00 52.55 52.15 1xax s ASP 7 Cb -0.09 -1.82 0.16 0.00 -0.30 0.00 0.00 42.92 40.88 1xax s ASP 7 CO 0.02 -0.19 0.48 -0.22 -0.17 0.00 0.00 175.17 175.10 1xax s LEU 8 N 1.44 5.64 -0.57 -1.34 1.98 -1.24 0.14 118.68 124.72 1xax s LEU 8 Ca 0.01 -2.64 -0.14 0.00 -2.89 0.00 0.00 54.13 48.48 1xax s LEU 8 Cb -0.17 -1.95 0.14 0.00 0.66 0.00 0.00 46.19 44.87 1xax s LEU 8 CO 0.01 -0.47 0.51 -1.58 -1.89 0.00 0.00 176.35 172.92 1xax s GLN 9 N 0.26 2.96 0.48 1.98 0.74 0.02 -4.66 119.66 121.43 1xax s GLN 9 Ca 0.15 -1.86 -0.20 0.00 0.05 0.00 0.00 55.36 53.50 1xax s GLN 9 Cb -0.19 -4.22 -0.09 0.00 1.10 0.00 0.00 33.01 29.61 1xax s GLN 9 CO -0.04 -1.29 1.01 -1.50 -0.55 0.00 0.00 175.29 172.91 1xax s ILE 10 N 1.28 4.05 -0.21 -2.34 1.10 -1.26 -0.46 121.20 123.36 1xax s ILE 10 Ca 0.06 1.23 0.09 0.00 -0.51 0.00 0.00 60.65 61.53 1xax s ILE 10 Cb -0.26 -3.51 -0.19 0.00 0.15 0.00 0.00 42.46 38.64 1xax s ILE 10 CO 0.00 -0.32 -0.07 0.00 -2.11 0.00 0.00 174.94 172.45 1xax n ALA 11 N -0.97 1.52 -2.37 1.50 0.00 -0.65 -4.92 120.51 114.62 1xax n ALA 11 Ca 0.08 -1.11 -0.36 0.00 0.00 0.00 0.00 53.44 52.05 1xax n ALA 11 Cb 0.53 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.46 4.87 -0.07 0.00 -4.23 -1.26 -4.99 115.64 107.50 1xax s THR 12 Ca -0.20 0.89 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 1xax s THR 12 Cb 0.07 -3.76 -0.25 0.00 1.34 0.00 0.00 72.50 69.90 1xax s THR 12 CO 0.65 0.35 0.57 -0.08 -0.54 0.00 0.00 174.62 175.57 1xax h GLU 13 N 3.92 0.14 -4.47 3.99 4.81 -2.03 -3.45 114.58 117.49 1xax h GLU 13 Ca -0.49 -0.24 -0.59 0.00 -0.13 0.00 0.00 59.36 57.90 1xax h GLU 13 Cb 1.20 0.09 -0.37 0.00 0.63 0.00 0.00 28.75 30.30 1xax h GLU 13 CO 0.65 0.88 -0.81 -0.80 -0.73 0.00 0.00 179.01 178.19 1xax s ASN 14 N -6.60 3.03 0.35 1.04 0.01 -1.26 -5.05 114.94 106.45 1xax s ASN 14 Ca -0.13 -0.71 0.07 0.00 -0.71 0.00 0.00 52.86 51.38 1xax s ASN 14 Cb 0.07 -1.12 -0.03 0.00 0.41 0.00 0.00 41.25 40.58 1xax s ASN 14 CO 0.81 -0.13 0.25 -0.63 -1.51 0.00 0.00 177.10 175.88 1xax s ILE 15 N 1.49 0.09 -2.07 0.60 1.09 -1.26 -5.03 121.20 116.11 1xax s ILE 15 Ca 0.01 -2.00 0.12 0.00 -1.10 0.00 0.00 60.65 57.68 1xax s ILE 15 Cb -0.15 -2.46 0.32 0.00 -1.06 0.00 0.00 42.46 39.11 1xax s ILE 15 CO -0.09 0.00 1.33 -0.62 -0.10 0.00 0.00 174.94 175.47 1xax n GLU 16 N -0.68 1.59 0.00 2.79 -0.58 -1.26 -4.51 120.64 117.99 1xax n GLU 16 Ca 0.05 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1xax n GLU 16 Cb 0.63 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xax n GLY 17 N 0.97 -1.97 3.46 0.62 0.00 -1.26 -5.15 105.19 101.85 1xax n GLY 17 Ca 0.11 0.95 -0.37 0.00 0.00 0.00 0.00 46.02 46.71 1xax n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xax n LEU 18 N 0.00 0.64 -0.09 0.99 -0.00 -1.26 -4.96 117.00 112.32 1xax n LEU 18 Ca 0.00 0.67 -0.21 0.00 -0.00 0.00 0.00 56.01 56.47 1xax n LEU 18 Cb 0.00 -1.18 -0.12 0.00 -0.00 0.00 0.00 43.42 42.12 1xax n LEU 18 CO 0.00 -3.14 -0.47 1.55 -0.00 0.00 0.00 177.39 175.32 1xax h PRO 19 N -0.02 0.02 -4.20 1.47 0.13 -2.01 -3.51 132.00 123.89 1xax h PRO 19 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xax h PRO 19 Cb 1.38 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1xax h PRO 19 CO 0.45 1.02 -0.91 0.25 -0.23 0.00 0.00 178.00 178.58 1xax n THR 20 N -4.38 -6.54 -0.10 1.56 -2.24 -1.26 -4.01 114.28 97.32 1xax n THR 20 Ca -0.30 2.62 -0.13 0.00 -2.27 0.00 0.00 64.05 63.97 1xax n THR 20 Cb 0.70 -3.54 -0.04 0.00 -2.10 0.00 0.00 70.33 65.35 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 3.26 0.68 -0.37 -0.78 9.09 -1.98 -2.50 114.58 121.97 1xax h GLU 21 Ca 0.00 -0.34 0.08 0.00 0.05 0.00 0.00 59.36 59.15 1xax h GLU 21 Cb 0.00 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.01 1xax h GLU 21 CO 0.00 0.94 -0.34 0.93 0.05 0.00 0.00 179.01 180.60 1xax h GLU 22 N 0.43 -0.27 0.34 1.06 3.07 -1.97 1.01 114.58 118.25 1xax h GLU 22 Ca 0.05 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1xax h GLU 22 Cb 0.79 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1xax h GLU 22 CO 0.06 -0.18 -0.17 1.96 -1.40 0.00 0.00 179.01 179.29 1xax h GLN 23 N -0.28 -0.44 -0.06 2.33 1.08 -1.81 0.41 115.11 116.34 1xax h GLN 23 Ca 0.16 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 1xax h GLN 23 Cb 0.55 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 1xax h GLN 23 CO -0.53 -0.30 -0.36 0.82 -0.95 0.00 0.00 178.83 177.52 1xax h ILE 24 N -0.52 0.00 0.01 2.54 1.08 -1.32 0.62 117.51 119.92 1xax h ILE 24 Ca -0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.45 1xax h ILE 24 Cb 0.35 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.05 1xax h ILE 24 CO 0.08 0.00 -0.45 0.58 -0.69 0.00 0.00 178.15 177.67 1xax h VAL 25 N -0.41 0.11 0.29 1.67 2.07 0.95 0.17 116.25 121.11 1xax h VAL 25 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1xax h VAL 25 Cb 0.46 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1xax h VAL 25 CO -0.28 0.00 -0.34 -0.61 0.02 0.00 0.00 177.57 176.36 1xax h GLN 26 N -0.61 -0.66 0.15 1.57 4.15 -0.70 1.41 115.11 120.41 1xax h GLN 26 Ca 0.04 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.51 1xax h GLN 26 Cb 0.68 0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.48 1xax h GLN 26 CO -0.32 -0.44 -0.44 2.35 -1.93 0.00 0.00 178.83 178.05 1xax h TRP 27 N -0.68 -1.27 0.00 3.99 2.91 0.48 0.16 115.95 121.54 1xax h TRP 27 Ca -0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.04 1xax h TRP 27 Cb 0.64 0.53 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 1xax h TRP 27 CO -0.22 -0.51 0.00 0.00 -1.03 0.00 0.00 178.44 176.68 1xax n ALA 28 N -2.83 -0.01 0.22 2.65 0.00 0.58 -2.84 120.51 118.28 1xax n ALA 28 Ca -0.08 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.54 1xax n ALA 28 Cb 0.35 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.65 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 0.39 0.02 0.00 2.02 -0.34 -0.37 112.91 114.63 1xax h THR 29 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1xax h THR 29 Cb 0.00 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1xax h THR 29 CO 0.00 0.00 -0.97 1.23 0.37 0.00 0.00 175.52 176.15 1xax h GLY 30 N 0.00 0.10 1.62 2.16 0.00 0.46 -3.15 103.07 104.26 1xax h GLY 30 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xax h GLY 30 CO -0.00 0.19 -0.10 0.00 0.00 0.00 0.00 176.54 176.63 1xax n ALA 31 N -2.41 2.61 0.00 3.60 0.00 -0.19 -3.12 120.51 121.01 1xax n ALA 31 Ca -0.02 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.03 1xax n ALA 31 Cb 0.89 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.40 1.78 -2.24 0.00 3.14 -0.96 -4.52 118.33 114.13 1xax n VAL 32 Ca 0.09 -0.65 -0.25 0.00 -2.96 0.00 0.00 64.34 60.56 1xax n VAL 32 Cb 0.32 -1.73 0.01 0.00 -1.06 0.00 0.00 33.84 31.38 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 -3.48 3.53 0.33 1.45 1.13 -1.20 -4.81 117.38 114.34 1xax n GLN 33 Ca -0.32 -4.33 0.22 0.00 -1.94 0.00 0.00 57.00 50.62 1xax n GLN 33 Cb 1.05 -2.27 1.16 0.00 0.11 0.00 0.00 30.24 30.29 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 0.00 0.00 -1.09 0.13 -1.77 -3.32 132.00 128.32 1xax h PRO 34 Ca 0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.44 1xax h PRO 34 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xax h PRO 34 CO 0.80 0.00 -0.55 -1.91 -0.23 0.00 0.00 178.00 176.11 1xax n GLU 35 N -3.10 0.14 -4.19 0.86 2.13 -1.26 -5.02 120.64 110.20 1xax n GLU 35 Ca -0.03 0.06 -0.33 0.00 0.66 0.00 0.00 57.16 57.52 1xax n GLU 35 Cb 0.10 -0.74 -0.16 0.00 0.27 0.00 0.00 31.44 30.90 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 -4.47 1.37 0.06 8.31 0.00 -1.25 -5.12 107.32 106.22 1xax s GLY 36 Ca -0.08 -1.18 0.08 0.00 0.00 0.00 0.00 44.72 43.54 1xax s GLY 36 CO 0.11 0.25 -0.22 0.54 0.00 0.00 0.00 173.10 173.78 1xax s ASN 37 N 1.23 2.67 0.00 1.64 4.22 -1.26 -4.48 114.94 118.97 1xax s ASN 37 Ca 0.03 -0.58 0.00 0.00 -2.14 0.00 0.00 52.86 50.18 1xax s ASN 37 Cb -0.13 -0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.19 1xax s ASN 37 CO -0.11 0.16 0.00 1.21 -2.04 0.00 0.00 177.10 176.32 1xax n GLU 38 N 1.65 0.00 0.00 3.55 2.13 -1.21 -3.51 120.64 123.24 1xax n GLU 38 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1xax n GLU 38 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 1xax n GLU 38 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1xax n VAL 39 N 0.00 0.00 -3.73 6.31 0.24 0.15 -4.70 118.33 116.60 1xax n VAL 39 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1xax n VAL 39 Cb 0.00 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.20 1xax n VAL 39 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1xax s GLU 40 N -2.00 0.49 -0.29 7.34 2.12 -1.25 -0.13 118.70 124.97 1xax s GLU 40 Ca 0.00 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1xax s GLU 40 Cb 0.00 -1.35 0.09 0.00 0.26 0.00 0.00 34.13 33.13 1xax s GLU 40 CO 0.00 -0.44 0.05 -1.64 -0.54 0.00 0.00 175.26 172.69 1xax s MET 41 N 1.98 1.02 -0.03 4.30 -1.94 0.68 0.85 119.30 126.17 1xax s MET 41 Ca 0.03 -1.15 -0.23 0.00 -1.71 0.00 0.00 55.69 52.63 1xax s MET 41 Cb -0.14 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 1xax s MET 41 CO -0.06 -0.87 0.70 0.95 -0.01 0.00 0.00 175.02 175.72 1xax s THR 42 N 1.46 4.94 -0.06 2.05 -4.23 0.94 0.10 115.64 120.84 1xax s THR 42 Ca 0.06 1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 62.01 1xax s THR 42 Cb -0.18 -4.04 0.03 0.00 1.34 0.00 0.00 72.50 69.65 1xax s THR 42 CO -0.17 0.31 0.00 -0.69 -0.54 0.00 0.00 174.62 173.54 1xax s VAL 43 N 0.40 0.31 -0.32 2.29 1.01 0.36 0.10 120.40 124.55 1xax s VAL 43 Ca 0.36 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1xax s VAL 43 Cb -0.18 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.79 1xax s VAL 43 CO 0.19 0.23 0.05 -0.60 0.00 0.00 0.00 175.10 174.97 1xax s ARG 44 N 1.71 2.48 -0.47 2.72 3.52 0.31 -0.80 118.95 128.42 1xax s ARG 44 Ca 0.01 -1.27 -0.14 0.00 -0.13 0.00 0.00 55.73 54.20 1xax s ARG 44 Cb -0.13 -3.31 0.08 0.00 -1.56 0.00 0.00 34.95 30.04 1xax s ARG 44 CO -0.04 -0.66 0.38 -1.50 -0.81 0.00 0.00 175.30 172.67 1xax s ILE 45 N 1.30 4.98 0.11 4.11 2.07 0.39 -0.38 121.20 133.78 1xax s ILE 45 Ca -0.03 -1.23 -0.13 0.00 -1.41 0.00 0.00 60.65 57.85 1xax s ILE 45 Cb -0.20 -4.03 0.02 0.00 0.13 0.00 0.00 42.46 38.38 1xax s ILE 45 CO 0.00 -0.62 0.30 0.54 -1.91 0.00 0.00 174.94 173.26 1xax s VAL 46 N 1.58 0.10 1.07 4.00 0.11 -0.25 -1.64 120.40 125.37 1xax s VAL 46 Ca 0.04 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 57.99 1xax s VAL 46 Cb -0.25 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 1xax s VAL 46 CO 0.05 -0.47 -0.61 -0.67 -3.33 0.00 0.00 175.10 170.07 1xax n ASP 47 N -0.15 -2.67 0.27 3.54 -0.08 -1.26 -3.64 116.55 112.56 1xax n ASP 47 Ca -0.15 -0.07 -0.15 0.00 -1.51 0.00 0.00 54.79 52.90 1xax n ASP 47 Cb 0.63 -0.78 -0.08 0.00 2.34 0.00 0.00 41.12 43.23 1xax n ASP 47 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1xax h GLU 48 N -1.64 -0.65 -0.32 -0.67 5.08 -1.95 -3.02 114.58 111.41 1xax h GLU 48 Ca -0.48 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1xax h GLU 48 Cb 1.37 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.69 1xax h GLU 48 CO 0.31 -0.36 -0.47 0.00 -1.00 0.00 0.00 179.01 177.50 1xax h ALA 49 N -0.48 -0.59 -0.19 3.43 0.00 -1.98 0.90 119.26 120.34 1xax h ALA 49 Ca -0.07 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xax h ALA 49 Cb 0.59 0.93 -0.05 0.00 0.00 0.00 0.00 17.79 19.26 1xax h ALA 49 CO 0.11 -0.94 -0.41 1.49 0.00 0.00 0.00 179.25 179.50 1xax h GLU 50 N -0.41 -0.36 0.29 0.00 4.81 -1.91 0.52 114.58 117.52 1xax h GLU 50 Ca 0.10 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1xax h GLU 50 Cb 0.61 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1xax h GLU 50 CO -0.53 -0.24 -0.39 0.77 -0.73 0.00 0.00 179.01 177.89 1xax h SER 51 N -0.38 -1.10 -0.23 1.04 0.02 -1.36 0.94 113.55 112.48 1xax h SER 51 Ca 0.04 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1xax h SER 51 Cb 0.48 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.33 1xax h SER 51 CO -0.38 -0.52 -0.37 0.45 -1.14 0.00 0.00 176.83 174.88 1xax h HIS 52 N -0.74 -1.04 -0.84 3.45 3.86 -0.56 0.15 115.15 119.42 1xax h HIS 52 Ca -0.01 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1xax h HIS 52 Cb 0.70 0.49 -0.04 0.00 1.06 0.00 0.00 27.41 29.62 1xax h HIS 52 CO -0.26 -0.43 0.51 1.49 0.86 0.00 0.00 177.93 180.10 1xax h GLU 53 N -0.38 1.15 -0.32 2.45 4.22 0.24 -0.80 114.58 121.14 1xax h GLU 53 Ca 0.11 -0.11 0.07 0.00 0.08 0.00 0.00 59.36 59.51 1xax h GLU 53 Cb 0.58 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1xax h GLU 53 CO -0.44 0.81 -0.11 1.25 -2.18 0.00 0.00 179.01 178.34 1xax h LEU 54 N 1.16 -0.38 0.57 1.64 7.12 0.26 0.53 115.31 126.21 1xax h LEU 54 Ca 0.30 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.39 1xax h LEU 54 Cb -0.04 0.23 0.01 0.00 -0.53 0.00 0.00 40.66 40.32 1xax h LEU 54 CO -0.06 -0.14 -0.27 0.78 -0.13 0.00 0.00 178.44 178.62 1xax h ASN 55 N -0.04 -0.65 -0.08 1.25 2.35 -0.46 -2.93 115.58 115.02 1xax h ASN 55 Ca 0.16 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1xax h ASN 55 Cb 0.28 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1xax h ASN 55 CO -0.35 -0.29 0.23 -0.07 -1.65 0.00 0.00 177.43 175.30 1xax h LEU 56 N -1.11 0.00 0.00 1.61 4.07 -1.07 0.29 115.31 119.09 1xax h LEU 56 Ca -0.08 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.69 1xax h LEU 56 Cb 0.59 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1xax h LEU 56 CO 0.13 0.00 -1.00 0.00 -1.08 0.00 0.00 178.44 176.49 1xax h THR 57 N 0.00 1.26 -0.01 0.22 1.03 0.11 -3.08 112.91 112.44 1xax h THR 57 Ca 0.04 -2.87 0.00 0.00 -0.01 0.00 0.00 66.41 63.57 1xax h THR 57 Cb 0.50 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.18 1xax h THR 57 CO -0.00 0.72 -0.31 0.00 -0.01 0.00 0.00 175.52 175.91 1xax n TYR 58 N -3.23 0.00 0.00 0.00 4.11 -0.28 -4.86 117.16 112.90 1xax n TYR 58 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.87 1xax n TYR 58 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.23 1xax n TYR 58 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1xax n ARG 59 N -0.57 0.00 -0.72 -3.48 -4.01 0.86 -5.06 116.66 103.68 1xax n ARG 59 Ca 0.04 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.85 1xax n ARG 59 Cb 0.21 -0.12 0.00 0.00 -3.04 0.00 0.00 32.46 29.50 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 -0.38 0.74 0.00 2.89 0.00 -0.83 -4.93 105.19 102.68 1xax n GLY 60 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.24 -0.59 0.00 1.61 4.81 -1.26 -4.84 118.16 117.66 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xax n LYS 61 Cb 0.16 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.21 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 -1.72 0.00 -3.99 3.14 2.03 -1.26 -4.77 116.55 109.98 1xax n ASP 62 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 1xax n ASP 62 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xax n ARG 63 N 0.00 0.77 -1.00 -0.67 3.00 -1.26 -4.87 116.66 112.62 1xax n ARG 63 Ca 0.00 -3.17 -0.04 0.00 -0.01 0.00 0.00 57.85 54.62 1xax n ARG 63 Cb 0.00 1.28 -0.04 0.00 0.00 0.00 0.00 32.46 33.69 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 -0.97 0.00 -0.17 5.56 -0.02 -1.26 -4.82 135.00 133.33 1xax n PRO 64 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1xax n PRO 64 Cb 0.56 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 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 4.28 0.00 -0.03 3.45 5.66 -1.26 -5.07 114.28 121.31 1xax n THR 65 Ca 0.13 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.08 1xax n THR 65 Cb 0.39 -1.55 -0.02 0.00 -1.55 0.00 0.00 70.33 67.59 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 -1.13 1.97 -3.41 1.09 4.05 -1.26 -4.95 115.26 111.61 1xax n ASN 66 Ca 0.00 0.02 -0.26 0.00 0.45 0.00 0.00 54.58 54.79 1xax n ASN 66 Cb 0.00 -0.12 -0.11 0.00 1.23 0.00 0.00 39.78 40.79 1xax n ASN 66 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xax s VAL 67 N -2.10 0.07 -0.10 3.44 1.01 -1.26 -3.84 120.40 117.62 1xax s VAL 67 Ca -0.07 -1.78 -0.16 0.00 0.00 0.00 0.00 61.98 59.97 1xax s VAL 67 Cb 0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1xax s VAL 67 CO 0.10 -0.96 0.40 -0.22 0.00 0.00 0.00 175.10 174.43 1xax s LEU 68 N 0.90 4.32 0.18 3.92 2.96 -0.06 -4.92 118.68 125.98 1xax s LEU 68 Ca 0.22 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 54.94 1xax s LEU 68 Cb -0.15 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1xax s LEU 68 CO -0.04 0.12 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.59 1xax s SER 69 N 0.11 1.95 -0.34 3.68 0.01 -1.26 0.10 113.70 117.94 1xax s SER 69 Ca 0.23 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1xax s SER 69 Cb -0.15 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.14 1xax s SER 69 CO 0.09 -0.36 0.06 -0.36 0.41 0.00 0.00 173.24 173.08 1xax s PHE 70 N -3.29 3.56 0.71 2.43 0.40 0.97 -4.92 117.98 117.84 1xax s PHE 70 Ca 0.21 -2.56 -0.11 0.00 -0.60 0.00 0.00 56.93 53.87 1xax s PHE 70 Cb 0.03 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.86 1xax s PHE 70 CO 0.04 -0.92 1.07 -1.25 0.70 0.00 0.00 175.22 174.86 1xax s PRO 71 N 1.05 2.79 0.86 0.24 0.04 -1.26 -0.06 135.00 138.67 1xax s PRO 71 Ca 0.04 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.01 1xax s PRO 71 Cb -0.20 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.54 1xax s PRO 71 CO -0.05 -1.21 1.18 -0.59 0.04 0.00 0.00 177.00 176.37 1xax s PHE 72 N -2.99 1.46 -0.08 0.56 -0.71 -1.26 -4.85 117.98 110.11 1xax s PHE 72 Ca 0.59 -0.00 -0.32 0.00 -1.04 0.00 0.00 56.93 56.16 1xax s PHE 72 Cb -0.15 -3.62 -0.10 0.00 -1.21 0.00 0.00 43.02 37.94 1xax s PHE 72 CO 0.55 -2.29 1.98 -1.91 -1.34 0.00 0.00 175.22 172.20 1xax n GLU 73 N -3.37 2.32 -3.23 1.99 2.13 -1.26 -4.91 120.64 114.31 1xax n GLU 73 Ca 0.16 0.82 -0.36 0.00 0.66 0.00 0.00 57.16 58.44 1xax n GLU 73 Cb 0.60 -2.83 -0.03 0.00 0.27 0.00 0.00 31.44 29.45 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xax n PRO 75 N 1.19 0.00 0.00 0.00 -0.04 -1.26 -4.94 135.00 129.95 1xax n PRO 75 Ca 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1xax n PRO 75 Cb 0.37 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 -0.47 0.00 0.00 3.54 8.00 -1.26 -5.05 116.55 121.31 1xax n ASP 76 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xax n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1xax n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xax n GLU 77 N -1.07 0.00 -3.06 -1.24 4.71 -1.26 -5.00 120.64 113.72 1xax n GLU 77 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1xax n GLU 77 Cb 0.00 -0.60 -0.00 0.00 -1.01 0.00 0.00 31.44 29.83 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1xax n VAL 78 N -2.60 -2.15 -2.80 2.62 0.24 -1.26 -4.50 118.33 107.89 1xax n VAL 78 Ca 0.00 0.30 -0.43 0.00 -2.04 0.00 0.00 64.34 62.18 1xax n VAL 78 Cb 0.37 -2.93 -0.04 0.00 -1.47 0.00 0.00 33.84 29.78 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 -0.23 3.18 -0.26 7.34 2.02 -1.26 -4.86 118.70 124.64 1xax s GLU 79 Ca -0.02 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.13 1xax s GLU 79 Cb 0.00 -4.17 0.12 0.00 0.10 0.00 0.00 34.13 30.18 1xax s GLU 79 CO 0.07 -1.79 1.01 -0.48 0.02 0.00 0.00 175.26 174.08 1xax s LEU 80 N 4.33 -0.45 0.07 1.80 2.34 -1.26 -4.99 118.68 120.51 1xax s LEU 80 Ca 0.27 0.81 -0.31 0.00 0.06 0.00 0.00 54.13 54.96 1xax s LEU 80 Cb -0.14 1.91 -0.08 0.00 -0.56 0.00 0.00 46.19 47.33 1xax s LEU 80 CO 0.13 -0.20 1.56 -2.84 -1.06 0.00 0.00 176.35 173.95 1xax s PRO 81 N -0.02 4.23 -0.12 1.48 0.02 -1.26 -4.98 135.00 134.35 1xax s PRO 81 Ca 0.02 2.22 -0.31 0.00 0.02 0.00 0.00 61.00 62.95 1xax s PRO 81 Cb -0.04 -3.51 0.13 0.00 0.02 0.00 0.00 34.50 31.09 1xax s PRO 81 CO -0.04 -0.66 1.04 -0.48 -0.33 0.00 0.00 177.00 176.53 1xax s LEU 82 N 2.28 -0.28 0.00 -5.54 0.05 -1.26 -4.35 118.68 109.57 1xax s LEU 82 Ca 0.70 0.13 0.00 0.00 0.05 0.00 0.00 54.13 55.01 1xax s LEU 82 Cb -0.38 1.74 0.00 0.00 -2.05 0.00 0.00 46.19 45.50 1xax s LEU 82 CO 0.31 -0.39 0.00 0.18 -0.55 0.00 0.00 176.35 175.89 1xax n LEU 83 N 0.16 0.00 0.00 1.48 7.99 0.25 -4.79 117.00 122.08 1xax n LEU 83 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1xax n LEU 83 Cb 0.59 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.90 1xax n LEU 83 CO 0.12 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.61 1xax n GLY 84 N 1.92 -1.90 3.92 -0.72 0.00 -1.04 -4.86 105.19 102.51 1xax n GLY 84 Ca 0.00 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 6.41 0.03 1.61 1.11 0.91 -0.04 116.67 122.70 1xax s ASP 85 Ca 0.00 0.43 0.01 0.00 0.18 0.00 0.00 52.55 53.17 1xax s ASP 85 Cb 0.00 -2.02 -0.02 0.00 1.07 0.00 0.00 42.92 41.94 1xax s ASP 85 CO 0.00 0.02 -0.04 -0.22 1.18 0.00 0.00 175.17 176.11 1xax s LEU 86 N -2.99 2.27 -0.22 1.23 2.96 0.29 -0.02 118.68 122.20 1xax s LEU 86 Ca 0.39 -0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1xax s LEU 86 Cb -0.12 0.03 0.10 0.00 0.50 0.00 0.00 46.19 46.70 1xax s LEU 86 CO 0.27 -0.30 0.24 -0.69 -1.32 0.00 0.00 176.35 174.55 1xax s VAL 87 N -1.70 -0.35 0.17 1.68 1.01 0.28 0.11 120.40 121.60 1xax s VAL 87 Ca -0.12 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1xax s VAL 87 Cb -0.08 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1xax s VAL 87 CO -0.01 -0.23 -0.10 -0.63 0.00 0.00 0.00 175.10 174.13 1xax s ILE 88 N 2.34 1.25 0.08 2.22 1.09 0.49 -0.88 121.20 127.79 1xax s ILE 88 Ca 0.08 -2.08 -0.14 0.00 -1.10 0.00 0.00 60.65 57.40 1xax s ILE 88 Cb -0.16 -1.95 -0.06 0.00 -1.06 0.00 0.00 42.46 39.23 1xax s ILE 88 CO -0.15 -0.67 0.48 0.00 -0.10 0.00 0.00 174.94 174.51 1xax h ARG 90 N 4.12 0.30 -0.60 0.00 0.11 -1.89 -3.24 114.38 113.18 1xax h ARG 90 Ca -0.50 -0.51 0.09 0.00 0.10 0.00 0.00 59.98 59.16 1xax h ARG 90 Cb 1.20 0.19 -0.04 0.00 1.11 0.00 0.00 29.97 32.44 1xax h ARG 90 CO 0.64 1.18 0.40 -0.56 0.10 0.00 0.00 179.97 181.73 1xax h GLN 91 N 0.08 0.44 0.06 0.08 3.07 -1.94 0.47 115.11 117.37 1xax h GLN 91 Ca -0.28 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.43 1xax h GLN 91 Cb 2.05 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 29.51 1xax h GLN 91 CO 0.17 0.29 -0.03 0.28 0.09 0.00 0.00 178.83 179.63 1xax h VAL 92 N 0.46 0.00 -0.74 1.86 2.07 -1.99 -2.85 116.25 115.07 1xax h VAL 92 Ca 0.27 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xax h VAL 92 Cb 0.46 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1xax h VAL 92 CO -0.08 0.00 0.47 -0.37 0.02 0.00 0.00 177.57 177.61 1xax h VAL 93 N -0.91 1.20 -0.57 2.57 -1.51 -1.57 0.15 116.25 115.60 1xax h VAL 93 Ca -0.01 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 1xax h VAL 93 Cb 0.06 0.15 -0.03 0.00 -2.13 0.00 0.00 31.29 29.34 1xax h VAL 93 CO 0.01 0.20 0.33 -0.08 -1.23 0.00 0.00 177.57 176.81 1xax h GLU 94 N 1.00 0.78 -0.18 5.19 4.81 -0.23 0.33 114.58 126.29 1xax h GLU 94 Ca 0.27 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 1xax h GLU 94 Cb -0.07 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.15 1xax h GLU 94 CO -0.05 0.55 -0.63 -0.09 -0.73 0.00 0.00 179.01 178.06 1xax h ARG 95 N 0.79 0.74 0.01 1.92 9.65 -1.07 0.28 114.38 126.70 1xax h ARG 95 Ca 0.21 -0.56 -0.00 0.00 -1.10 0.00 0.00 59.98 58.53 1xax h ARG 95 Cb -0.01 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1xax h ARG 95 CO -0.04 1.18 -0.00 1.49 2.80 0.00 0.00 179.97 185.39 1xax h GLU 96 N 0.45 -0.01 -0.38 0.20 4.22 -0.05 0.37 114.58 119.39 1xax h GLU 96 Ca -0.03 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.36 1xax h GLU 96 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1xax h GLU 96 CO 0.13 0.17 0.02 0.00 -2.18 0.00 0.00 179.01 177.15 1xax h ALA 97 N 0.81 0.50 -0.53 2.92 0.00 -0.41 0.23 119.26 122.79 1xax h ALA 97 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xax h ALA 97 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xax h ALA 97 CO 0.00 0.25 0.20 1.03 0.00 0.00 0.00 179.25 180.73 1xax h SER 98 N 0.47 0.70 0.13 0.00 0.87 -0.34 -2.41 113.55 112.97 1xax h SER 98 Ca 0.11 -0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.34 1xax h SER 98 Cb 0.43 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1xax h SER 98 CO 0.01 0.64 -0.94 -0.08 -0.53 0.00 0.00 176.83 175.93 1xax h GLU 99 N 0.76 0.58 0.00 2.24 4.57 -0.00 -3.08 114.58 119.65 1xax h GLU 99 Ca 0.18 -0.59 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 1xax h GLU 99 Cb 0.17 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1xax h GLU 99 CO -0.02 1.21 -0.01 1.96 -1.18 0.00 0.00 179.01 180.97 1xax h GLN 100 N 0.35 0.00 -2.09 1.92 4.20 -0.09 -3.46 115.11 115.93 1xax h GLN 100 Ca -0.09 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.44 1xax h GLN 100 Cb 1.58 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.38 1xax h GLN 100 CO 0.18 0.01 -0.26 -1.91 -0.67 0.00 0.00 178.83 176.18 1xax n GLU 101 N -3.41 -1.93 -4.28 1.46 4.07 -0.95 -5.04 120.64 110.56 1xax n GLU 101 Ca -0.03 0.41 -0.18 0.00 -0.06 0.00 0.00 57.16 57.30 1xax n GLU 101 Cb 0.11 -4.24 -0.11 0.00 -0.06 0.00 0.00 31.44 27.13 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1xax s LYS 102 N -4.94 1.13 0.06 5.31 3.01 -1.20 -5.10 119.74 118.00 1xax s LYS 102 Ca 0.11 -1.37 -0.35 0.00 -1.01 0.00 0.00 55.97 53.35 1xax s LYS 102 Cb -0.05 -0.97 -0.14 0.00 -1.01 0.00 0.00 37.83 35.66 1xax s LYS 102 CO 0.14 0.18 1.64 -2.30 0.51 0.00 0.00 175.35 175.51 1xax n PRO 103 N 0.19 1.96 0.32 -1.68 -0.02 -1.26 -4.68 135.00 129.83 1xax n PRO 103 Ca -0.13 0.71 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 1xax n PRO 103 Cb 0.58 -2.48 1.09 0.00 -0.02 0.00 0.00 33.50 32.68 1xax n PRO 103 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xax h LEU 104 N 6.70 0.00 -0.50 2.45 3.38 -1.99 -2.76 115.31 122.59 1xax h LEU 104 Ca -0.46 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.61 1xax h LEU 104 Cb 1.27 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 1xax h LEU 104 CO 0.89 0.00 -0.09 0.24 0.09 0.00 0.00 178.44 179.57 1xax h MET 105 N 0.00 0.03 -0.27 1.13 2.86 -2.01 -0.09 114.93 116.58 1xax h MET 105 Ca 0.00 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1xax h MET 105 Cb 0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1xax h MET 105 CO -0.00 0.02 -0.34 0.00 1.06 0.00 0.00 176.91 177.65 1xax h ALA 106 N 1.49 0.41 -0.87 6.32 0.00 -1.88 -3.05 119.26 121.68 1xax h ALA 106 Ca 0.25 -0.43 0.14 0.00 0.00 0.00 0.00 54.91 54.87 1xax h ALA 106 Cb 0.38 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1xax h ALA 106 CO -0.49 0.46 0.56 1.25 0.00 0.00 0.00 179.25 181.03 1xax h HIS 107 N 0.45 0.76 0.57 0.00 6.17 -1.39 0.81 115.15 122.53 1xax h HIS 107 Ca 0.03 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.11 1xax h HIS 107 Cb 0.92 -0.24 0.01 0.00 2.52 0.00 0.00 27.41 30.62 1xax h HIS 107 CO 0.08 0.28 -0.27 -1.49 0.71 0.00 0.00 177.93 177.24 1xax h TRP 108 N 0.65 -0.71 -0.87 5.26 4.06 -0.96 0.99 115.95 124.37 1xax h TRP 108 Ca 0.43 -0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.54 1xax h TRP 108 Cb 0.74 0.24 -0.07 0.00 -1.00 0.00 0.00 29.16 29.06 1xax h TRP 108 CO -0.00 -0.44 0.57 0.00 -3.56 0.00 0.00 178.44 175.01 1xax h ALA 109 N -1.39 2.06 0.00 1.49 0.00 -1.39 0.19 119.26 120.23 1xax h ALA 109 Ca -0.08 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xax h ALA 109 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xax h ALA 109 CO 0.13 -0.32 -0.00 1.25 0.00 0.00 0.00 179.25 180.30 1xax h HIS 110 N 0.50 -0.00 -0.37 0.00 2.76 -0.81 -3.08 115.15 114.15 1xax h HIS 110 Ca 0.45 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.62 1xax h HIS 110 Cb 0.97 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.91 1xax h HIS 110 CO -0.00 0.96 0.23 0.00 -1.30 0.00 0.00 177.93 177.81 1xax h MET 111 N -0.97 0.50 -0.09 5.26 -0.00 0.16 0.17 114.93 119.95 1xax h MET 111 Ca -0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.70 59.63 1xax h MET 111 Cb 0.96 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 32.45 1xax h MET 111 CO 0.00 0.35 -0.07 -0.39 -0.00 0.00 0.00 176.91 176.80 1xax h VAL 112 N 0.51 1.35 -0.05 -0.10 -1.51 -0.75 -2.52 116.25 113.17 1xax h VAL 112 Ca 0.14 -1.17 -0.07 0.00 -1.23 0.00 0.00 66.70 64.36 1xax h VAL 112 Cb -0.03 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 1xax h VAL 112 CO -0.03 0.33 -0.30 0.58 -1.23 0.00 0.00 177.57 176.92 1xax h VAL 113 N -0.20 1.24 -0.61 7.19 2.07 -1.38 0.89 116.25 125.45 1xax h VAL 113 Ca 0.02 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1xax h VAL 113 Cb 0.56 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1xax h VAL 113 CO 0.02 0.33 0.30 1.12 0.02 0.00 0.00 177.57 179.36 1xax h HIS 114 N 0.09 0.89 0.00 1.57 2.07 -0.57 -2.33 115.15 116.86 1xax h HIS 114 Ca 0.01 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 1xax h HIS 114 Cb 0.58 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 30.29 1xax h HIS 114 CO 0.00 0.67 -0.50 0.78 -3.07 0.00 0.00 177.93 175.81 1xax h GLY 115 N 0.84 0.00 0.47 6.13 0.00 -1.10 -2.90 103.07 106.51 1xax h GLY 115 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 1xax h GLY 115 CO -0.03 0.00 -0.21 1.76 0.00 0.00 0.00 176.54 178.06 1xax h SER 116 N 0.00 0.21 0.00 0.19 0.02 -0.47 -3.17 113.55 110.33 1xax h SER 116 Ca 0.00 -0.73 -0.07 0.00 -0.84 0.00 0.00 61.79 60.15 1xax h SER 116 Cb 0.77 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1xax h SER 116 CO 0.00 0.92 -0.44 0.25 -1.14 0.00 0.00 176.83 176.42 1xax h LEU 117 N -0.47 0.00 -1.98 5.07 6.46 -1.58 -3.15 115.31 119.67 1xax h LEU 117 Ca -0.02 -0.58 0.01 0.00 -0.12 0.00 0.00 57.88 57.17 1xax h LEU 117 Cb 0.94 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1xax h LEU 117 CO 0.04 1.04 0.35 -0.74 -0.62 0.00 0.00 178.44 178.52 1xax h HIS 118 N -1.00 0.00 0.08 1.25 2.76 -1.71 0.84 115.15 117.38 1xax h HIS 118 Ca -0.11 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.70 1xax h HIS 118 Cb 0.88 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1xax h HIS 118 CO 0.13 0.00 -2.05 -0.11 -1.30 0.00 0.00 177.93 174.60 1xax n LEU 119 N -2.97 2.35 0.00 0.26 -0.00 -1.20 -4.82 117.00 110.62 1xax n LEU 119 Ca -0.01 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 1xax n LEU 119 Cb 0.41 -0.85 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1xax n LEU 119 CO 0.15 0.79 -0.20 0.00 -0.00 0.00 0.00 177.39 178.12 1xax n LEU 120 N -3.36 0.79 -1.19 -1.96 -0.00 -0.54 -4.99 117.00 105.74 1xax n LEU 120 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 1xax n LEU 120 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.46 1xax n LEU 120 CO 0.41 0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.54 1xax n GLY 121 N 2.03 0.02 0.31 1.47 0.00 0.28 -4.90 105.19 104.40 1xax n GLY 121 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.83 0.00 -0.87 1.61 4.11 -1.26 -4.04 117.16 115.87 1xax n TYR 122 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1xax n TYR 122 Cb 0.40 -0.03 -0.01 0.00 -0.00 0.00 0.00 39.34 39.69 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 -0.02 5.97 -3.33 9.48 2.03 -1.26 -4.96 116.55 124.47 1xax n ASP 123 Ca 0.00 -2.81 -0.07 0.00 0.52 0.00 0.00 54.79 52.43 1xax n ASP 123 Cb 0.07 -1.15 0.07 0.00 -0.72 0.00 0.00 41.12 39.39 1xax n ASP 123 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1xax n HIS 124 N 1.05 -1.69 0.00 -0.67 8.25 -1.26 -4.65 115.22 116.26 1xax n HIS 124 Ca 0.25 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1xax n HIS 124 Cb 0.59 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.44 0.00 1.32 1.59 -0.00 -1.26 -4.36 119.36 113.20 1xax n ILE 125 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.80 1xax n ILE 125 Cb 0.14 0.00 0.06 0.00 -0.00 0.00 0.00 39.64 39.85 1xax n ILE 125 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1xax n GLU 126 N 0.00 1.42 -0.01 0.38 0.28 -1.26 -2.15 120.64 119.30 1xax n GLU 126 Ca 0.00 -0.51 -0.00 0.00 -0.16 0.00 0.00 57.16 56.49 1xax n GLU 126 Cb 0.00 -1.25 -0.00 0.00 1.43 0.00 0.00 31.44 31.62 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 0.77 0.00 0.00 -1.84 3.32 -1.98 -3.41 116.42 113.28 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xax h ASP 127 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xax h ASP 127 CO 0.02 0.06 -0.55 0.47 -1.72 0.00 0.00 179.24 177.52 1xax n ASP 128 N -2.42 1.25 0.04 6.45 9.92 -1.26 -4.44 116.55 126.10 1xax n ASP 128 Ca -0.01 0.31 0.22 0.00 -0.53 0.00 0.00 54.79 54.79 1xax n ASP 128 Cb 0.02 -0.69 0.69 0.00 -0.64 0.00 0.00 41.12 40.50 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 -0.66 0.00 0.00 -1.24 4.57 -1.87 -2.97 114.58 112.41 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 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 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 -2.30 -0.16 -0.21 2.92 0.00 -0.91 0.10 120.51 119.95 1xax n ALA 130 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1xax n ALA 130 Cb 0.78 0.15 0.12 0.00 0.00 0.00 0.00 19.45 20.50 1xax n ALA 130 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xax h GLU 131 N 0.00 0.22 0.52 0.00 4.11 -1.77 0.83 114.58 118.49 1xax h GLU 131 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1xax h GLU 131 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1xax h GLU 131 CO 0.00 0.15 -0.38 0.93 0.07 0.00 0.00 179.01 179.78 1xax h GLU 132 N 0.23 -0.83 0.30 1.06 5.08 -1.47 0.27 114.58 119.23 1xax h GLU 132 Ca 0.33 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1xax h GLU 132 Cb 0.52 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1xax h GLU 132 CO -0.45 -0.55 -0.21 1.98 -1.00 0.00 0.00 179.01 178.78 1xax h MET 133 N -0.86 -0.48 -0.26 2.33 4.05 0.10 0.51 114.93 120.32 1xax h MET 133 Ca -0.07 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.44 1xax h MET 133 Cb 0.71 0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 31.54 1xax h MET 133 CO 0.03 -0.32 -0.42 0.93 0.23 0.00 0.00 176.91 177.36 1xax h GLU 134 N -0.50 -0.40 -0.50 0.39 5.08 0.68 0.28 114.58 119.61 1xax h GLU 134 Ca -0.03 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xax h GLU 134 Cb 0.43 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1xax h GLU 134 CO 0.01 -0.26 0.23 1.03 -1.00 0.00 0.00 179.01 179.02 1xax h SER 135 N -0.41 0.63 0.85 1.42 0.87 -0.33 0.26 113.55 116.85 1xax h SER 135 Ca 0.10 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1xax h SER 135 Cb 0.60 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1xax h SER 135 CO -0.48 0.55 -0.48 0.25 -0.53 0.00 0.00 176.83 176.14 1xax h LEU 136 N 0.71 -1.20 -1.15 2.23 7.12 0.25 0.36 115.31 123.63 1xax h LEU 136 Ca 0.18 0.06 -0.08 0.00 0.13 0.00 0.00 57.88 58.16 1xax h LEU 136 Cb 0.09 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1xax h LEU 136 CO -0.02 -0.76 -0.32 -0.08 -0.13 0.00 0.00 178.44 177.12 1xax h GLU 137 N -1.23 0.18 -0.42 1.25 4.22 -0.44 -2.93 114.58 115.21 1xax h GLU 137 Ca -0.11 -0.07 -0.14 0.00 0.08 0.00 0.00 59.36 59.12 1xax h GLU 137 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1xax h GLU 137 CO 0.14 0.49 -0.28 1.15 -2.18 0.00 0.00 179.01 178.33 1xax h THR 138 N 0.16 1.27 -0.26 0.32 2.02 -0.28 0.17 112.91 116.31 1xax h THR 138 Ca 0.02 -1.43 -0.12 0.00 0.77 0.00 0.00 66.41 65.65 1xax h THR 138 Cb 0.65 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1xax h THR 138 CO 0.05 0.48 -0.34 -0.61 0.37 0.00 0.00 175.52 175.47 1xax h GLN 139 N 0.76 0.57 0.12 6.66 4.15 -0.12 1.06 115.11 128.30 1xax h GLN 139 Ca 0.09 -0.26 -0.31 0.00 0.77 0.00 0.00 58.65 58.94 1xax h GLN 139 Cb 0.84 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1xax h GLN 139 CO 0.07 0.83 -1.57 -0.84 -1.93 0.00 0.00 178.83 175.40 1xax h ILE 140 N 0.48 1.11 0.00 2.39 3.07 -1.47 -2.41 117.51 120.68 1xax h ILE 140 Ca 0.05 -2.76 -0.11 0.00 1.55 0.00 0.00 64.86 63.60 1xax h ILE 140 Cb 0.82 2.74 -0.02 0.00 -0.27 0.00 0.00 36.82 40.10 1xax h ILE 140 CO 0.07 0.81 -0.64 0.24 -1.05 0.00 0.00 178.15 177.58 1xax h MET 141 N 0.07 0.00 0.12 0.16 2.86 -0.65 -3.38 114.93 114.11 1xax h MET 141 Ca -0.26 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.09 1xax h MET 141 Cb 2.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.68 1xax h MET 141 CO 0.16 0.79 -1.49 1.96 1.06 0.00 0.00 176.91 179.38 1xax h GLN 142 N -1.00 0.25 -1.15 1.72 4.20 0.76 -2.80 115.11 117.09 1xax h GLN 142 Ca -0.16 -0.43 0.33 0.00 0.06 0.00 0.00 58.65 58.45 1xax h GLN 142 Cb 0.99 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.88 1xax h GLN 142 CO -0.10 1.21 0.93 0.78 -0.67 0.00 0.00 178.83 180.98 1xax h GLY 143 N 0.19 0.00 0.00 3.46 0.00 0.29 0.14 103.07 107.14 1xax h GLY 143 Ca -0.32 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.80 1xax h GLY 143 CO 0.07 0.00 -2.02 1.04 0.00 0.00 0.00 176.54 175.62 1xax n LEU 144 N -3.90 0.00 -2.52 3.11 4.32 -1.24 -5.00 117.00 111.76 1xax n LEU 144 Ca 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.16 1xax n LEU 144 Cb 1.31 0.29 0.04 0.00 -1.62 0.00 0.00 43.42 43.43 1xax n LEU 144 CO 0.36 0.29 0.04 0.61 -1.22 0.00 0.00 177.39 177.48 1xax n GLY 145 N 1.87 -0.39 0.00 -0.72 0.00 0.48 -5.12 105.19 101.30 1xax n GLY 145 Ca -0.20 0.23 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01