#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 4.91 -0.02 0.44 0.11 -1.26 -1.06 120.40 123.53 1xax s VAL 4 Ca 0.00 1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 60.84 1xax s VAL 4 Cb 0.00 -4.20 -0.01 0.00 -1.53 0.00 0.00 36.38 30.64 1xax s VAL 4 CO 0.00 0.14 0.88 0.00 -3.33 0.00 0.00 175.10 172.79 1xax n LEU 5 N 4.25 -1.64 -3.78 2.54 -0.00 0.30 -4.71 117.00 113.97 1xax n LEU 5 Ca 0.04 -1.16 -0.13 0.00 -0.00 0.00 0.00 56.01 54.76 1xax n LEU 5 Cb 0.50 -0.44 -0.10 0.00 -0.00 0.00 0.00 43.42 43.38 1xax n LEU 5 CO 0.50 -1.46 -0.03 0.54 -0.00 0.00 0.00 177.39 176.93 1xax s VAL 6 N 1.19 0.02 -0.29 1.47 0.11 -1.26 -1.90 120.40 119.74 1xax s VAL 6 Ca 0.02 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.70 1xax s VAL 6 Cb 0.00 -0.47 0.17 0.00 -1.53 0.00 0.00 36.38 34.55 1xax s VAL 6 CO 0.01 -0.11 1.09 -1.81 -3.33 0.00 0.00 175.10 170.94 1xax s ASP 7 N -0.42 -0.34 0.01 3.54 1.01 0.33 -4.53 116.67 116.28 1xax s ASP 7 Ca -0.05 0.53 0.04 0.00 0.71 0.00 0.00 52.55 53.77 1xax s ASP 7 Cb -0.04 1.19 -0.01 0.00 1.01 0.00 0.00 42.92 45.07 1xax s ASP 7 CO 0.02 -0.08 -0.12 -1.48 0.21 0.00 0.00 175.17 173.72 1xax s LEU 8 N 1.42 2.10 -0.14 1.23 0.05 -1.24 0.20 118.68 122.30 1xax s LEU 8 Ca -0.07 -0.32 0.00 0.00 0.05 0.00 0.00 54.13 53.78 1xax s LEU 8 Cb -0.03 -0.53 0.02 0.00 -2.05 0.00 0.00 46.19 43.60 1xax s LEU 8 CO -0.14 0.06 -0.12 -1.10 -0.55 0.00 0.00 176.35 174.50 1xax s GLN 9 N -0.70 2.10 -0.18 1.48 -1.52 0.14 -4.91 119.66 116.06 1xax s GLN 9 Ca 0.02 -0.49 -0.09 0.00 -1.95 0.00 0.00 55.36 52.85 1xax s GLN 9 Cb -0.06 -1.99 -0.05 0.00 -0.22 0.00 0.00 33.01 30.69 1xax s GLN 9 CO 0.00 -0.25 0.13 0.42 -0.25 0.00 0.00 175.29 175.35 1xax s ILE 10 N 1.54 5.43 -0.31 1.08 -1.09 -1.26 0.25 121.20 126.84 1xax s ILE 10 Ca 0.05 0.19 0.18 0.00 -2.23 0.00 0.00 60.65 58.84 1xax s ILE 10 Cb -0.13 -3.45 0.47 0.00 -1.58 0.00 0.00 42.46 37.77 1xax s ILE 10 CO -0.10 0.48 1.03 0.00 -1.23 0.00 0.00 174.94 175.11 1xax n ALA 11 N 3.20 3.37 -2.81 9.38 0.00 -0.98 -4.99 120.51 127.67 1xax n ALA 11 Ca -0.17 -3.14 -0.36 0.00 0.00 0.00 0.00 53.44 49.77 1xax n ALA 11 Cb 0.53 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.62 5.46 0.30 0.00 -4.23 -1.26 -4.63 115.64 107.66 1xax s THR 12 Ca 0.30 0.21 0.13 0.00 -1.18 0.00 0.00 61.69 61.16 1xax s THR 12 Cb 0.41 -3.44 0.06 0.00 1.34 0.00 0.00 72.50 70.87 1xax s THR 12 CO -0.01 0.54 1.73 -0.08 -0.54 0.00 0.00 174.62 176.27 1xax h GLU 13 N 5.71 0.00 -2.11 3.99 4.57 -2.01 -3.42 114.58 121.31 1xax h GLU 13 Ca -0.49 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.64 1xax h GLU 13 Cb 1.20 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.53 1xax h GLU 13 CO 0.66 0.46 -0.34 0.54 -1.18 0.00 0.00 179.01 179.15 1xax s ASN 14 N -6.79 -0.44 0.29 1.04 2.20 -1.26 -5.16 114.94 104.81 1xax s ASN 14 Ca -0.02 0.92 0.05 0.00 -0.94 0.00 0.00 52.86 52.87 1xax s ASN 14 Cb 0.13 1.57 -0.02 0.00 -2.00 0.00 0.00 41.25 40.93 1xax s ASN 14 CO 0.73 -0.25 0.29 2.30 -2.94 0.00 0.00 177.10 177.23 1xax n ILE 15 N 5.40 0.00 -1.42 0.54 -6.64 -1.26 -5.04 119.36 110.94 1xax n ILE 15 Ca -0.07 -1.94 -0.33 0.00 -1.77 0.00 0.00 62.75 58.63 1xax n ILE 15 Cb 0.50 1.02 -0.05 0.00 -1.44 0.00 0.00 39.64 39.66 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 -0.53 3.48 -0.03 6.28 4.07 -1.26 -4.80 120.64 127.84 1xax n GLU 16 Ca 0.05 -2.27 0.00 0.00 -0.06 0.00 0.00 57.16 54.89 1xax n GLU 16 Cb 0.51 -2.55 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xax n GLY 17 N 2.73 -1.59 3.53 8.31 0.00 -1.26 -4.86 105.19 112.06 1xax n GLY 17 Ca 0.66 -1.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.13 1xax n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xax n LEU 18 N -0.29 2.63 -4.69 0.99 7.99 -1.26 -4.85 117.00 117.52 1xax n LEU 18 Ca 0.00 0.20 -0.51 0.00 -0.01 0.00 0.00 56.01 55.70 1xax n LEU 18 Cb 0.00 -1.43 -0.05 0.00 -0.11 0.00 0.00 43.42 41.83 1xax n LEU 18 CO 0.00 -0.80 1.42 -2.65 -1.51 0.00 0.00 177.39 173.84 1xax n PRO 19 N 8.57 1.88 -2.85 3.23 -0.02 -1.26 -4.93 135.00 139.62 1xax n PRO 19 Ca 0.36 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 62.12 1xax n PRO 19 Cb 0.36 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.65 4.92 0.04 3.45 -4.23 -1.26 -4.96 115.64 117.25 1xax s THR 20 Ca 0.93 1.79 -0.19 0.00 -1.18 0.00 0.00 61.69 63.04 1xax s THR 20 Cb -0.80 -4.20 -0.15 0.00 1.34 0.00 0.00 72.50 68.69 1xax s THR 20 CO 0.54 0.16 1.31 1.05 -0.54 0.00 0.00 174.62 177.14 1xax h GLU 21 N 6.89 0.43 -0.60 3.99 4.11 -1.94 -2.92 114.58 124.53 1xax h GLU 21 Ca -0.38 -0.26 0.10 0.00 0.07 0.00 0.00 59.36 58.89 1xax h GLU 21 Cb 1.19 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.36 1xax h GLU 21 CO 0.77 0.85 -0.35 0.93 0.07 0.00 0.00 179.01 181.29 1xax h GLU 22 N 0.04 -0.16 0.16 1.06 3.07 -1.97 1.26 114.58 118.04 1xax h GLU 22 Ca 0.01 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1xax h GLU 22 Cb 0.82 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1xax h GLU 22 CO 0.06 -0.11 -0.08 0.37 -1.40 0.00 0.00 179.01 177.85 1xax h GLN 23 N -0.17 -0.20 0.00 2.33 -0.00 -1.98 0.87 115.11 115.96 1xax h GLN 23 Ca 0.23 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1xax h GLN 23 Cb 0.55 0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.03 1xax h GLN 23 CO -0.69 -0.14 -0.48 0.82 0.00 0.00 0.00 178.83 178.35 1xax h ILE 24 N -0.22 0.00 -0.11 2.39 5.03 -1.31 0.33 117.51 123.62 1xax h ILE 24 Ca -0.02 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.74 1xax h ILE 24 Cb 0.16 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 33.90 1xax h ILE 24 CO 0.04 0.00 -0.46 0.58 -0.68 0.00 0.00 178.15 177.63 1xax h VAL 25 N -0.61 0.00 0.13 1.67 2.07 0.15 0.12 116.25 119.78 1xax h VAL 25 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1xax h VAL 25 Cb 0.65 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1xax h VAL 25 CO -0.32 0.00 -0.31 -0.61 0.02 0.00 0.00 177.57 176.35 1xax h GLN 26 N -0.50 -0.52 0.23 1.57 4.15 -0.64 1.15 115.11 120.55 1xax h GLN 26 Ca 0.03 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1xax h GLN 26 Cb 0.58 0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.35 1xax h GLN 26 CO -0.37 -0.35 -0.47 2.35 -1.93 0.00 0.00 178.83 178.06 1xax h TRP 27 N -0.54 -1.35 0.00 3.99 2.91 -0.09 0.10 115.95 120.97 1xax h TRP 27 Ca 0.03 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 1xax h TRP 27 Cb 0.57 0.56 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1xax h TRP 27 CO -0.28 -0.56 0.00 0.00 -1.03 0.00 0.00 178.44 176.57 1xax n ALA 28 N -2.84 -0.01 0.31 2.65 0.00 0.41 -3.41 120.51 117.62 1xax n ALA 28 Ca -0.09 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.54 1xax n ALA 28 Cb 0.39 0.00 1.04 0.00 0.00 0.00 0.00 19.45 20.88 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 0.25 -0.31 0.00 2.02 -0.71 -2.01 112.91 112.16 1xax h THR 29 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1xax h THR 29 Cb 0.00 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1xax h THR 29 CO 0.00 0.00 0.00 1.23 0.37 0.00 0.00 175.52 177.12 1xax h GLY 30 N 0.00 0.58 2.00 2.16 0.00 0.38 -2.23 103.07 105.97 1xax h GLY 30 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1xax h GLY 30 CO -0.00 0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.93 1xax n ALA 31 N -2.37 1.80 0.05 3.60 0.00 -0.77 -2.89 120.51 119.94 1xax n ALA 31 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1xax n ALA 31 Cb 0.26 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 1xax n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xax h VAL 32 N 0.00 0.40 -1.25 0.00 2.07 -1.23 -3.39 116.25 112.84 1xax h VAL 32 Ca 0.00 -1.04 -0.60 0.00 0.82 0.00 0.00 66.70 65.88 1xax h VAL 32 Cb 0.32 0.70 -0.40 0.00 -1.52 0.00 0.00 31.29 30.39 1xax h VAL 32 CO 0.00 0.12 -0.45 1.67 0.02 0.00 0.00 177.57 178.93 1xax n GLN 33 N -4.91 3.37 0.02 1.57 -0.06 -1.15 -4.85 117.38 111.36 1xax n GLN 33 Ca -0.05 -4.19 -0.10 0.00 -2.00 0.00 0.00 57.00 50.66 1xax n GLN 33 Cb 0.18 -2.27 -0.04 0.00 -4.06 0.00 0.00 30.24 24.06 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 1xax h PRO 34 N 2.43 -0.35 -1.00 3.69 0.13 -1.74 -2.99 132.00 132.18 1xax h PRO 34 Ca 0.38 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.96 1xax h PRO 34 Cb 1.04 0.08 -0.41 0.00 0.13 0.00 0.00 31.00 31.84 1xax h PRO 34 CO 0.94 -0.23 -0.61 0.39 -0.23 0.00 0.00 178.00 178.26 1xax n GLU 35 N -5.39 3.48 0.00 0.86 1.02 -1.26 -5.03 120.64 114.32 1xax n GLU 35 Ca -0.03 -4.17 0.00 0.00 -0.02 0.00 0.00 57.16 52.94 1xax n GLU 35 Cb 0.30 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xax n GLY 36 N -0.66 4.43 3.56 0.62 0.00 -1.13 -5.15 105.19 106.86 1xax n GLY 36 Ca 0.45 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 0.97 -4.44 1.61 2.85 -1.26 -5.01 115.26 109.98 1xax n ASN 37 Ca 0.00 -1.90 -0.37 0.00 -0.11 0.00 0.00 54.58 52.20 1xax n ASN 37 Cb 0.00 -0.67 -0.12 0.00 1.24 0.00 0.00 39.78 40.22 1xax n ASN 37 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1xax s GLU 38 N -5.07 3.59 0.28 1.20 2.12 -1.26 -4.63 118.70 114.93 1xax s GLU 38 Ca 0.63 -0.52 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 1xax s GLU 38 Cb -0.03 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 1xax s GLU 38 CO 0.42 -0.23 0.34 0.08 -0.54 0.00 0.00 175.26 175.33 1xax s VAL 39 N 1.61 0.00 -0.10 3.70 1.01 -0.22 -4.81 120.40 121.58 1xax s VAL 39 Ca 0.06 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1xax s VAL 39 Cb -0.15 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1xax s VAL 39 CO 0.04 0.00 0.22 -1.83 0.00 0.00 0.00 175.10 173.52 1xax s GLU 40 N -3.61 0.12 -0.76 2.72 4.04 -1.26 0.11 118.70 120.05 1xax s GLU 40 Ca 0.34 0.61 -0.04 0.00 0.04 0.00 0.00 54.97 55.91 1xax s GLU 40 Cb 0.02 -0.13 0.19 0.00 0.02 0.00 0.00 34.13 34.23 1xax s GLU 40 CO 0.18 -0.25 0.63 -1.64 -1.84 0.00 0.00 175.26 172.33 1xax s MET 41 N 1.99 3.02 0.30 -4.83 -1.94 -0.80 -1.86 119.30 115.18 1xax s MET 41 Ca -0.02 -2.80 -0.28 0.00 -1.71 0.00 0.00 55.69 50.88 1xax s MET 41 Cb -0.12 -3.94 -0.09 0.00 2.01 0.00 0.00 34.83 32.69 1xax s MET 41 CO -0.07 -1.22 1.05 0.99 -0.01 0.00 0.00 175.02 175.75 1xax s THR 42 N -0.50 3.69 -0.02 2.05 2.01 0.64 -0.51 115.64 123.00 1xax s THR 42 Ca 0.21 1.60 -0.08 0.00 0.31 0.00 0.00 61.69 63.73 1xax s THR 42 Cb -0.14 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1xax s THR 42 CO -0.07 0.30 0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 1xax s VAL 43 N -1.29 0.06 -0.03 3.82 1.01 0.54 -0.89 120.40 123.61 1xax s VAL 43 Ca 0.47 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1xax s VAL 43 Cb -0.28 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1xax s VAL 43 CO 0.36 -0.27 0.03 -0.60 0.00 0.00 0.00 175.10 174.61 1xax s ARG 44 N -1.00 0.08 -0.21 2.72 3.52 0.34 0.27 118.95 124.68 1xax s ARG 44 Ca -0.11 0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 1xax s ARG 44 Cb -0.06 -0.44 -0.00 0.00 -1.56 0.00 0.00 34.95 32.89 1xax s ARG 44 CO 0.01 -0.22 -0.07 0.96 -0.81 0.00 0.00 175.30 175.17 1xax s ILE 45 N 1.47 3.15 0.10 4.11 -4.36 0.14 -0.21 121.20 125.60 1xax s ILE 45 Ca -0.04 -0.57 -0.26 0.00 -0.26 0.00 0.00 60.65 59.52 1xax s ILE 45 Cb -0.13 -2.41 0.08 0.00 1.25 0.00 0.00 42.46 41.25 1xax s ILE 45 CO -0.03 0.45 0.81 0.54 0.24 0.00 0.00 174.94 176.95 1xax s VAL 46 N 1.35 0.00 0.42 8.37 0.11 0.22 -2.31 120.40 128.56 1xax s VAL 46 Ca 0.04 -0.25 -0.23 0.00 -2.93 0.00 0.00 61.98 58.62 1xax s VAL 46 Cb -0.14 -1.32 -0.12 0.00 -1.53 0.00 0.00 36.38 33.27 1xax s VAL 46 CO -0.04 0.00 0.63 -0.67 -3.33 0.00 0.00 175.10 171.68 1xax n ASP 47 N -0.35 -0.53 -0.14 3.54 -0.08 -1.26 -3.90 116.55 113.83 1xax n ASP 47 Ca -0.10 0.93 -0.04 0.00 -1.51 0.00 0.00 54.79 54.07 1xax n ASP 47 Cb 0.62 -1.15 0.04 0.00 2.34 0.00 0.00 41.12 42.97 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 0.92 0.34 0.04 -0.67 5.08 -1.94 -2.55 114.58 115.79 1xax h GLU 48 Ca -0.41 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1xax h GLU 48 Cb 1.39 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1xax h GLU 48 CO 0.52 0.22 -0.44 0.00 -1.00 0.00 0.00 179.01 178.32 1xax h ALA 49 N 1.28 -0.74 0.11 3.43 0.00 -1.97 0.88 119.26 122.27 1xax h ALA 49 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xax h ALA 49 Cb 0.19 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1xax h ALA 49 CO -0.20 -0.99 -0.52 0.93 0.00 0.00 0.00 179.25 178.47 1xax h GLU 50 N -0.62 -0.71 0.82 0.00 5.08 -1.88 0.30 114.58 117.57 1xax h GLU 50 Ca 0.03 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1xax h GLU 50 Cb 0.68 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1xax h GLU 50 CO -0.30 -0.48 -0.39 0.77 -1.00 0.00 0.00 179.01 177.61 1xax h SER 51 N -0.74 -0.93 -1.04 1.42 0.02 -1.30 0.88 113.55 111.86 1xax h SER 51 Ca -0.00 0.03 0.27 0.00 -0.84 0.00 0.00 61.79 61.24 1xax h SER 51 Cb 0.75 0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.44 1xax h SER 51 CO -0.29 -0.64 0.67 0.45 -1.14 0.00 0.00 176.83 175.88 1xax h HIS 52 N -1.15 0.67 0.08 3.45 3.86 0.88 0.46 115.15 123.40 1xax h HIS 52 Ca -0.11 0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 58.85 1xax h HIS 52 Cb 0.85 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 1xax h HIS 52 CO -0.01 0.05 -1.35 0.93 0.86 0.00 0.00 177.93 178.41 1xax h GLU 53 N 0.39 0.17 0.54 2.45 4.39 -0.15 -2.89 114.58 119.48 1xax h GLU 53 Ca 0.60 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1xax h GLU 53 Cb 1.52 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 1xax h GLU 53 CO -0.31 1.05 -0.28 1.25 -1.16 0.00 0.00 179.01 179.57 1xax h LEU 54 N 0.05 -0.67 -0.50 1.33 7.12 0.52 0.36 115.31 123.52 1xax h LEU 54 Ca -0.16 0.03 -0.14 0.00 0.13 0.00 0.00 57.88 57.73 1xax h LEU 54 Cb 1.95 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 42.25 1xax h LEU 54 CO 0.16 -0.46 -0.34 -0.55 -0.13 0.00 0.00 178.44 177.12 1xax h ASN 55 N -0.75 0.91 0.93 1.25 -1.07 -0.95 -2.84 115.58 113.05 1xax h ASN 55 Ca -0.07 -0.39 -0.08 0.00 0.07 0.00 0.00 56.30 55.83 1xax h ASN 55 Cb 0.59 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.57 1xax h ASN 55 CO 0.11 1.16 -0.39 -0.07 0.07 0.00 0.00 177.43 178.30 1xax h LEU 56 N 0.72 0.00 -0.04 6.14 4.07 -1.46 0.34 115.31 125.08 1xax h LEU 56 Ca 0.07 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.88 1xax h LEU 56 Cb 0.90 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1xax h LEU 56 CO 0.08 0.39 -0.71 0.00 -1.08 0.00 0.00 178.44 177.13 1xax h THR 57 N 0.00 1.23 -0.01 0.22 1.03 -0.19 -2.71 112.91 112.48 1xax h THR 57 Ca -0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 66.41 63.69 1xax h THR 57 Cb 0.96 2.59 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 1xax h THR 57 CO 0.05 0.69 -0.08 0.00 -0.01 0.00 0.00 175.52 176.18 1xax n TYR 58 N -3.29 0.00 0.00 0.00 4.11 -1.08 -4.85 117.16 112.05 1xax n TYR 58 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1xax n TYR 58 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.15 1xax n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1xax n ARG 59 N -0.03 0.00 -1.53 -3.48 0.00 0.86 -5.05 116.66 107.44 1xax n ARG 59 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 1xax n ARG 59 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 32.46 32.41 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xax n GLY 60 N -0.16 0.93 0.00 5.14 0.00 0.58 -4.92 105.19 106.75 1xax n GLY 60 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1xax n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xax n LYS 61 N -0.69 -0.61 0.00 1.61 5.02 -1.19 -4.85 118.16 117.44 1xax n LYS 61 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xax n LYS 61 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1xax n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xax n ASP 62 N -1.90 -1.04 0.00 4.39 -0.08 -1.26 -4.79 116.55 111.86 1xax n ASP 62 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1xax n ASP 62 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xax n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xax n ARG 63 N -1.04 3.37 -1.46 -0.67 1.74 -1.26 -4.87 116.66 112.47 1xax n ARG 63 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1xax n ARG 63 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1xax n ARG 63 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1xax n PRO 64 N 0.00 0.08 -3.34 5.56 -0.04 -1.26 -4.85 135.00 131.14 1xax n PRO 64 Ca 0.00 -1.53 -0.42 0.00 -0.04 0.00 0.00 63.50 61.51 1xax n PRO 64 Cb 0.00 -3.63 -0.09 0.00 -0.04 0.00 0.00 33.50 29.74 1xax n PRO 64 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xax s THR 65 N 15.53 5.11 0.33 0.52 2.01 -1.26 -4.95 115.64 132.93 1xax s THR 65 Ca 0.75 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.72 1xax s THR 65 Cb -0.03 -3.94 0.31 0.00 0.01 0.00 0.00 72.50 68.85 1xax s THR 65 CO 0.19 -0.26 1.87 -0.55 -0.69 0.00 0.00 174.62 175.17 1xax h ASN 66 N 8.59 0.74 -2.27 3.53 -1.07 -1.92 -3.08 115.58 120.08 1xax h ASN 66 Ca -0.28 0.04 -0.60 0.00 0.07 0.00 0.00 56.30 55.53 1xax h ASN 66 Cb 1.13 -0.11 -0.42 0.00 -2.07 0.00 0.00 38.32 36.85 1xax h ASN 66 CO 0.75 0.38 -0.65 1.33 0.07 0.00 0.00 177.43 179.31 1xax n VAL 67 N -4.57 1.91 -2.67 6.14 0.24 -1.26 -3.78 118.33 114.34 1xax n VAL 67 Ca 0.17 -5.03 -0.43 0.00 -2.04 0.00 0.00 64.34 57.01 1xax n VAL 67 Cb 0.42 -2.09 -0.02 0.00 -1.47 0.00 0.00 33.84 30.68 1xax n VAL 67 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xax s LEU 68 N -2.20 3.94 0.54 1.34 2.96 -0.77 -4.95 118.68 119.54 1xax s LEU 68 Ca 0.38 0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1xax s LEU 68 Cb 0.13 -3.49 0.01 0.00 0.50 0.00 0.00 46.19 43.34 1xax s LEU 68 CO -0.04 -0.87 0.81 -0.55 -1.32 0.00 0.00 176.35 174.38 1xax s SER 69 N 1.68 5.65 -0.41 3.68 0.15 -1.26 0.12 113.70 123.31 1xax s SER 69 Ca 0.44 0.50 0.07 0.00 0.70 0.00 0.00 55.95 57.66 1xax s SER 69 Cb -0.12 -1.58 0.23 0.00 -1.71 0.00 0.00 66.02 62.84 1xax s SER 69 CO 0.16 -0.94 0.51 0.49 1.20 0.00 0.00 173.24 174.66 1xax n PHE 70 N -2.38 -0.86 -2.51 3.44 3.72 0.10 -4.80 117.46 114.17 1xax n PHE 70 Ca 0.04 -3.28 -0.41 0.00 -0.05 0.00 0.00 57.45 53.75 1xax n PHE 70 Cb 0.58 0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 39.09 1xax n PHE 70 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xax s PRO 71 N -0.67 4.63 1.25 -1.08 0.04 -1.26 0.10 135.00 138.01 1xax s PRO 71 Ca 0.34 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 1xax s PRO 71 Cb 0.14 -3.24 0.32 0.00 0.04 0.00 0.00 34.50 31.76 1xax s PRO 71 CO -0.14 0.16 0.99 -0.59 0.04 0.00 0.00 177.00 177.46 1xax s PHE 72 N -0.68 0.81 -0.45 0.56 -0.71 -1.26 -4.76 117.98 111.48 1xax s PHE 72 Ca 0.47 1.00 -0.32 0.00 -1.04 0.00 0.00 56.93 57.04 1xax s PHE 72 Cb -0.30 -3.03 -0.11 0.00 -1.21 0.00 0.00 43.02 38.37 1xax s PHE 72 CO 0.37 -4.26 2.31 -1.91 -1.34 0.00 0.00 175.22 170.39 1xax n GLU 73 N -5.18 1.01 -3.53 1.99 0.00 -1.26 -4.91 120.64 108.77 1xax n GLU 73 Ca 0.05 0.21 -0.42 0.00 0.00 0.00 0.00 57.16 57.00 1xax n GLU 73 Cb 0.56 -2.62 -0.09 0.00 0.00 0.00 0.00 31.44 29.29 1xax n GLU 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1xax n PRO 75 N 4.98 0.00 0.00 0.00 -0.04 -1.26 -5.02 135.00 133.66 1xax n PRO 75 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1xax n PRO 75 Cb 0.42 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 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 0.00 0.00 -3.72 3.54 8.00 -1.26 -5.04 116.55 118.07 1xax n ASP 76 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1xax n ASP 76 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1xax n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xax s GLU 77 N 0.00 1.33 -0.13 -1.24 -6.30 -1.26 -5.03 118.70 106.08 1xax s GLU 77 Ca 0.00 -2.06 -0.04 0.00 -2.50 0.00 0.00 54.97 50.37 1xax s GLU 77 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 34.13 31.71 1xax s GLU 77 CO 0.00 -1.16 0.03 0.14 0.02 0.00 0.00 175.26 174.29 1xax s VAL 78 N 0.29 4.55 -0.56 3.70 -7.23 -1.26 -5.07 120.40 114.82 1xax s VAL 78 Ca 0.18 -0.14 -0.07 0.00 -1.81 0.00 0.00 61.98 60.14 1xax s VAL 78 Cb -0.24 -2.97 0.15 0.00 0.56 0.00 0.00 36.38 33.87 1xax s VAL 78 CO -0.00 0.55 0.41 -1.61 -0.31 0.00 0.00 175.10 174.14 1xax s GLU 79 N -0.39 2.59 -0.20 4.82 2.02 -1.26 -4.45 118.70 121.82 1xax s GLU 79 Ca 0.08 -2.13 -0.27 0.00 0.02 0.00 0.00 54.97 52.68 1xax s GLU 79 Cb -0.12 -3.88 0.08 0.00 0.10 0.00 0.00 34.13 30.31 1xax s GLU 79 CO 0.02 -1.18 0.75 -0.48 0.02 0.00 0.00 175.26 174.39 1xax s LEU 80 N 0.69 -0.68 0.08 1.80 -0.00 -1.26 -5.05 118.68 114.26 1xax s LEU 80 Ca 0.11 1.14 -0.31 0.00 -0.00 0.00 0.00 54.13 55.08 1xax s LEU 80 Cb -0.21 2.41 -0.09 0.00 -0.00 0.00 0.00 46.19 48.29 1xax s LEU 80 CO -0.03 -0.35 1.75 -2.16 -0.00 0.00 0.00 176.35 175.56 1xax s PRO 81 N -0.15 4.17 -0.30 1.48 0.04 -1.26 -4.81 135.00 134.17 1xax s PRO 81 Ca -0.03 2.46 -0.35 0.00 0.04 0.00 0.00 61.00 63.12 1xax s PRO 81 Cb -0.03 -3.66 0.17 0.00 0.04 0.00 0.00 34.50 31.02 1xax s PRO 81 CO 0.03 -0.80 1.40 -0.48 0.04 0.00 0.00 177.00 177.18 1xax s LEU 82 N 2.88 -0.00 0.00 -3.56 2.34 -1.26 -4.61 118.68 114.47 1xax s LEU 82 Ca 0.78 0.00 0.00 0.00 0.06 0.00 0.00 54.13 54.97 1xax s LEU 82 Cb -0.42 1.01 0.00 0.00 -0.56 0.00 0.00 46.19 46.22 1xax s LEU 82 CO 0.35 -0.01 0.00 -0.11 -1.06 0.00 0.00 176.35 175.52 1xax n LEU 83 N 0.18 1.86 0.00 1.48 -0.00 -0.78 -4.87 117.00 114.88 1xax n LEU 83 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1xax n LEU 83 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1xax n LEU 83 CO 0.07 0.31 0.00 0.61 -0.00 0.00 0.00 177.39 178.38 1xax n GLY 84 N 2.79 0.07 3.67 -3.96 0.00 -1.20 -4.73 105.19 101.83 1xax n GLY 84 Ca 0.00 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 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 4.55 0.02 1.61 1.11 0.28 -0.26 116.67 119.98 1xax s ASP 85 Ca 0.00 -0.72 0.02 0.00 0.18 0.00 0.00 52.55 52.03 1xax s ASP 85 Cb 0.00 -0.78 -0.01 0.00 1.07 0.00 0.00 42.92 43.20 1xax s ASP 85 CO 0.00 -0.12 -0.07 -0.22 1.18 0.00 0.00 175.17 175.94 1xax s LEU 86 N -3.73 2.13 -0.29 1.23 0.20 -0.07 0.01 118.68 118.15 1xax s LEU 86 Ca 0.34 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.82 1xax s LEU 86 Cb -0.04 -0.25 0.09 0.00 -0.43 0.00 0.00 46.19 45.56 1xax s LEU 86 CO 0.21 -0.05 0.10 -0.69 -0.29 0.00 0.00 176.35 175.62 1xax s VAL 87 N -0.73 0.61 0.24 1.68 1.01 0.12 0.13 120.40 123.46 1xax s VAL 87 Ca -0.03 -1.14 0.11 0.00 0.00 0.00 0.00 61.98 60.91 1xax s VAL 87 Cb -0.06 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1xax s VAL 87 CO 0.00 -0.63 -0.14 -0.63 0.00 0.00 0.00 175.10 173.70 1xax s ILE 88 N 1.76 2.82 -0.61 2.22 1.01 0.71 -1.84 121.20 127.28 1xax s ILE 88 Ca 0.08 -2.07 -0.16 0.00 0.00 0.00 0.00 60.65 58.51 1xax s ILE 88 Cb -0.17 -2.45 0.14 0.00 0.01 0.00 0.00 42.46 40.00 1xax s ILE 88 CO -0.26 -0.28 0.58 0.00 0.00 0.00 0.00 174.94 174.99 1xax h ARG 90 N 8.71 0.00 -0.77 0.00 -0.00 -1.87 -1.31 114.38 119.14 1xax h ARG 90 Ca -0.22 0.00 0.17 0.00 -0.00 0.00 0.00 59.98 59.94 1xax h ARG 90 Cb 1.09 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 30.94 1xax h ARG 90 CO 0.99 0.00 0.23 1.96 -0.00 0.00 0.00 179.97 183.15 1xax h GLN 91 N 0.00 0.29 0.03 0.08 4.20 -1.91 1.00 115.11 118.80 1xax h GLN 91 Ca 0.62 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 59.17 1xax h GLN 91 Cb 2.61 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 30.32 1xax h GLN 91 CO -0.01 0.19 -0.71 -0.24 -0.67 0.00 0.00 178.83 177.40 1xax h VAL 92 N 0.30 1.36 -0.26 -0.54 3.04 -1.66 -2.88 116.25 115.61 1xax h VAL 92 Ca 0.45 -2.31 -0.05 0.00 -1.01 0.00 0.00 66.70 63.77 1xax h VAL 92 Cb 0.78 2.87 -0.01 0.00 -2.01 0.00 0.00 31.29 32.93 1xax h VAL 92 CO -0.51 0.53 -0.05 -0.37 -1.01 0.00 0.00 177.57 176.15 1xax h VAL 93 N -0.85 1.28 -0.41 1.51 -1.51 -1.55 0.23 116.25 114.95 1xax h VAL 93 Ca -0.18 -1.05 -0.06 0.00 -1.23 0.00 0.00 66.70 64.18 1xax h VAL 93 Cb 1.26 1.44 -0.02 0.00 -2.13 0.00 0.00 31.29 31.85 1xax h VAL 93 CO -0.05 0.33 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.52 1xax h GLU 94 N 0.24 0.67 -0.07 5.19 4.57 0.85 0.26 114.58 126.30 1xax h GLU 94 Ca 0.07 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1xax h GLU 94 Cb 0.52 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1xax h GLU 94 CO 0.02 0.70 -0.08 -0.09 -1.18 0.00 0.00 179.01 178.38 1xax h ARG 95 N 0.63 0.18 -0.85 1.92 2.43 -1.33 0.33 114.38 117.69 1xax h ARG 95 Ca 0.13 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1xax h ARG 95 Cb 0.41 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1xax h ARG 95 CO 0.02 0.63 0.43 1.49 -1.51 0.00 0.00 179.97 181.03 1xax h GLU 96 N -0.25 1.21 -0.28 0.20 4.22 -0.33 0.28 114.58 119.64 1xax h GLU 96 Ca 0.01 -0.16 -0.13 0.00 0.08 0.00 0.00 59.36 59.16 1xax h GLU 96 Cb 0.60 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xax h GLU 96 CO 0.02 0.91 -0.34 0.00 -2.18 0.00 0.00 179.01 177.42 1xax h ALA 97 N 1.23 0.41 -0.54 2.92 0.00 -0.44 0.33 119.26 123.17 1xax h ALA 97 Ca 0.30 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1xax h ALA 97 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xax h ALA 97 CO -0.04 0.47 0.01 0.66 0.00 0.00 0.00 179.25 180.34 1xax h SER 98 N 0.45 0.89 0.90 0.00 4.64 -0.02 0.41 113.55 120.84 1xax h SER 98 Ca 0.04 -0.23 -0.20 0.00 -0.47 0.00 0.00 61.79 60.92 1xax h SER 98 Cb 0.92 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1xax h SER 98 CO 0.08 0.95 -0.94 -0.08 -0.87 0.00 0.00 176.83 175.97 1xax h GLU 99 N 0.85 0.02 0.00 4.77 4.57 -0.40 -3.22 114.58 121.17 1xax h GLU 99 Ca 0.16 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 1xax h GLU 99 Cb 0.50 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1xax h GLU 99 CO 0.02 0.95 -0.56 1.96 -1.18 0.00 0.00 179.01 180.20 1xax h GLN 100 N 0.01 0.00 -3.19 1.92 1.08 -0.06 -3.48 115.11 111.39 1xax h GLN 100 Ca -0.02 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.92 1xax h GLN 100 Cb 1.66 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 29.13 1xax h GLN 100 CO 0.13 0.45 -0.40 0.39 -0.95 0.00 0.00 178.83 178.45 1xax n GLU 101 N -3.19 -3.42 -3.36 1.46 1.02 0.14 -5.02 120.64 108.28 1xax n GLU 101 Ca 0.01 0.59 -0.25 0.00 -0.02 0.00 0.00 57.16 57.50 1xax n GLU 101 Cb 0.73 -4.79 -0.01 0.00 -0.02 0.00 0.00 31.44 27.34 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xax s LYS 102 N -5.35 3.50 0.01 3.49 1.02 -1.11 -5.02 119.74 116.28 1xax s LYS 102 Ca 0.22 -0.28 -0.35 0.00 0.02 0.00 0.00 55.97 55.58 1xax s LYS 102 Cb -0.10 -2.66 -0.13 0.00 -0.52 0.00 0.00 37.83 34.42 1xax s LYS 102 CO 0.27 0.15 1.72 -2.30 -0.92 0.00 0.00 175.35 174.27 1xax n PRO 103 N -1.67 2.03 -0.09 -1.68 -0.02 -1.26 -4.89 135.00 127.42 1xax n PRO 103 Ca -0.04 0.74 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1xax n PRO 103 Cb 0.56 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 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 7.48 0.47 -1.19 2.45 -0.00 -1.96 0.24 115.31 122.80 1xax h LEU 104 Ca -0.47 -0.30 0.09 0.00 -0.00 0.00 0.00 57.88 57.20 1xax h LEU 104 Cb 1.27 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 41.74 1xax h LEU 104 CO 0.91 0.66 0.58 0.00 -0.00 0.00 0.00 178.44 180.59 1xax h MET 105 N 0.27 0.88 0.12 1.13 -0.00 -1.98 -1.45 114.93 113.90 1xax h MET 105 Ca 0.08 -0.05 -0.22 0.00 -0.00 0.00 0.00 59.70 59.51 1xax h MET 105 Cb 0.42 -0.20 0.02 0.00 -0.00 0.00 0.00 31.60 31.84 1xax h MET 105 CO 0.01 0.58 -0.93 0.00 -0.00 0.00 0.00 176.91 176.57 1xax h ALA 106 N 1.55 -0.05 -0.63 -3.00 0.00 -1.90 -2.96 119.26 112.27 1xax h ALA 106 Ca 0.41 -0.70 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1xax h ALA 106 Cb 0.38 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1xax h ALA 106 CO -0.17 0.47 0.09 1.25 0.00 0.00 0.00 179.25 180.88 1xax h HIS 107 N -0.13 0.13 -0.41 0.00 6.17 0.06 0.23 115.15 121.20 1xax h HIS 107 Ca -0.15 0.04 -0.08 0.00 0.71 0.00 0.00 60.37 60.89 1xax h HIS 107 Cb 1.69 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 31.65 1xax h HIS 107 CO 0.16 -0.09 -0.05 -1.49 0.71 0.00 0.00 177.93 177.17 1xax h TRP 108 N 0.21 0.84 -0.89 5.26 6.55 -1.39 0.94 115.95 127.47 1xax h TRP 108 Ca 0.33 -0.17 0.08 0.00 0.95 0.00 0.00 58.89 60.09 1xax h TRP 108 Cb 0.53 -0.21 -0.06 0.00 -0.86 0.00 0.00 29.16 28.56 1xax h TRP 108 CO -0.29 0.86 0.58 0.00 -1.05 0.00 0.00 178.44 178.53 1xax h ALA 109 N 0.86 1.58 0.09 1.49 0.00 -0.94 0.25 119.26 122.60 1xax h ALA 109 Ca 0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1xax h ALA 109 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xax h ALA 109 CO 0.03 0.27 -0.92 1.25 0.00 0.00 0.00 179.25 179.88 1xax h HIS 110 N 0.95 0.36 -0.96 0.00 -0.00 -0.36 -3.13 115.15 112.00 1xax h HIS 110 Ca 0.40 -0.26 0.11 0.00 -0.00 0.00 0.00 60.37 60.61 1xax h HIS 110 Cb 0.30 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 27.61 1xax h HIS 110 CO -0.00 1.36 0.59 0.52 -0.00 0.00 0.00 177.93 180.40 1xax h MET 111 N -0.52 0.94 0.16 5.26 2.07 0.12 0.29 114.93 123.24 1xax h MET 111 Ca -0.19 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.37 1xax h MET 111 Cb 1.53 -0.21 0.00 0.00 -1.87 0.00 0.00 31.60 31.05 1xax h MET 111 CO 0.06 0.62 -0.07 -0.39 1.07 0.00 0.00 176.91 178.19 1xax h VAL 112 N 0.97 0.98 -0.61 -2.22 -1.51 -0.63 1.10 116.25 114.32 1xax h VAL 112 Ca 0.46 -0.70 0.02 0.00 -1.23 0.00 0.00 66.70 65.26 1xax h VAL 112 Cb 0.42 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.94 1xax h VAL 112 CO -0.25 0.16 0.41 0.58 -1.23 0.00 0.00 177.57 177.24 1xax h VAL 113 N -0.55 1.12 0.00 7.19 2.07 -1.40 -0.27 116.25 124.42 1xax h VAL 113 Ca -0.02 -0.27 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 1xax h VAL 113 Cb 0.42 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1xax h VAL 113 CO 0.03 0.14 -1.07 -0.74 0.02 0.00 0.00 177.57 175.96 1xax h HIS 114 N 0.79 0.00 0.00 1.57 -0.00 -0.35 -2.07 115.15 115.09 1xax h HIS 114 Ca 0.23 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.38 1xax h HIS 114 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1xax h HIS 114 CO -0.00 0.89 -0.95 0.78 -0.00 0.00 0.00 177.93 178.64 1xax h GLY 115 N 3.22 0.48 0.00 5.26 0.00 0.22 -2.96 103.07 109.29 1xax h GLY 115 Ca -0.07 -0.84 -0.34 0.00 0.00 0.00 0.00 47.33 46.08 1xax h GLY 115 CO 0.10 0.75 -2.26 -1.14 0.00 0.00 0.00 176.54 173.99 1xax n SER 116 N -3.75 2.14 0.13 0.19 3.41 -0.20 -4.53 113.62 111.02 1xax n SER 116 Ca -0.07 -0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.59 1xax n SER 116 Cb 0.84 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1xax n SER 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xax h LEU 117 N -0.21 0.00 -1.55 1.04 4.07 -1.53 -2.82 115.31 114.31 1xax h LEU 117 Ca -0.51 0.00 0.13 0.00 0.08 0.00 0.00 57.88 57.57 1xax h LEU 117 Cb 1.70 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.39 1xax h LEU 117 CO -0.15 0.25 0.48 -0.74 -1.08 0.00 0.00 178.44 177.21 1xax h HIS 118 N 0.00 0.53 0.02 1.13 2.76 -1.37 -1.85 115.15 116.37 1xax h HIS 118 Ca -0.03 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1xax h HIS 118 Cb 1.22 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1xax h HIS 118 CO 0.00 0.22 -0.01 1.25 -1.30 0.00 0.00 177.93 178.10 1xax h LEU 119 N 0.47 -0.02 0.00 0.26 5.85 -1.78 -3.48 115.31 116.61 1xax h LEU 119 Ca 0.35 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1xax h LEU 119 Cb 0.69 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1xax h LEU 119 CO -0.11 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 1xax n LEU 120 N -4.70 -0.16 0.00 2.25 -0.00 -0.69 -4.97 117.00 108.73 1xax n LEU 120 Ca -0.07 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1xax n LEU 120 Cb 0.34 0.32 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 1xax n LEU 120 CO 0.25 -0.49 0.00 0.61 -0.00 0.00 0.00 177.39 177.76 1xax n GLY 121 N 0.42 0.00 0.08 1.47 0.00 -1.08 -2.66 105.19 103.42 1xax n GLY 121 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 0.50 1.61 4.11 -1.26 -4.61 117.16 117.51 1xax n TYR 122 Ca 0.00 -0.44 0.09 0.00 -0.00 0.00 0.00 57.90 57.55 1xax n TYR 122 Cb 0.00 -0.06 0.37 0.00 -0.00 0.00 0.00 39.34 39.65 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 -0.54 0.18 0.00 9.48 -0.08 -1.09 -4.02 116.55 120.48 1xax n ASP 123 Ca 0.04 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1xax n ASP 123 Cb 0.45 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.33 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 -1.69 0.00 -4.43 -0.67 8.25 -1.26 -4.80 115.22 110.62 1xax n HIS 124 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 1xax n HIS 124 Cb 0.20 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.24 1.18 -1.93 1.59 -0.00 -1.26 -4.83 121.20 114.72 1xax s ILE 125 Ca 0.00 -0.96 0.16 0.00 -0.00 0.00 0.00 60.65 59.84 1xax s ILE 125 Cb 0.00 -1.05 0.46 0.00 -0.00 0.00 0.00 42.46 41.87 1xax s ILE 125 CO 0.00 0.08 1.38 -1.84 -0.00 0.00 0.00 174.94 174.56 1xax n GLU 126 N 2.02 2.27 -0.00 0.37 -0.00 -1.26 -2.57 120.64 121.46 1xax n GLU 126 Ca -0.17 -1.88 -0.00 0.00 -0.00 0.00 0.00 57.16 55.11 1xax n GLU 126 Cb 0.55 -1.43 -0.00 0.00 -0.00 0.00 0.00 31.44 30.56 1xax n GLU 126 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1xax h ASP 127 N 3.01 0.00 0.00 -1.84 1.82 -1.96 -3.42 116.42 114.04 1xax h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1xax h ASP 127 Cb 0.73 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1xax h ASP 127 CO 0.02 0.03 -0.85 0.47 -1.61 0.00 0.00 179.24 177.30 1xax n ASP 128 N -2.31 1.87 0.23 2.28 9.92 -1.26 -4.44 116.55 122.84 1xax n ASP 128 Ca -0.00 0.41 0.13 0.00 -0.53 0.00 0.00 54.79 54.80 1xax n ASP 128 Cb 0.01 -0.77 0.67 0.00 -0.64 0.00 0.00 41.12 40.39 1xax n ASP 128 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1xax h GLU 129 N -0.98 0.00 0.00 -1.24 3.07 -1.88 -2.05 114.58 111.50 1xax h GLU 129 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xax h GLU 129 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1xax h GLU 129 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1xax n ALA 130 N -1.79 -0.10 0.01 3.43 0.00 -1.06 -2.11 120.51 118.89 1xax n ALA 130 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1xax n ALA 130 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.06 -0.13 0.00 5.08 -1.76 0.30 114.58 118.01 1xax h GLU 131 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1xax h GLU 131 Cb 0.00 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1xax h GLU 131 CO 0.00 -0.04 -0.46 1.49 -1.00 0.00 0.00 179.01 179.00 1xax h GLU 132 N -0.06 -0.50 -0.52 2.33 4.57 -1.55 0.15 114.58 118.99 1xax h GLU 132 Ca 0.06 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1xax h GLU 132 Cb 0.14 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1xax h GLU 132 CO -0.13 -0.34 0.23 1.98 -1.18 0.00 0.00 179.01 179.58 1xax h MET 133 N -0.52 0.74 0.50 1.92 4.05 -1.24 0.32 114.93 120.70 1xax h MET 133 Ca 0.06 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1xax h MET 133 Cb 0.65 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1xax h MET 133 CO -0.41 0.59 -0.42 0.93 0.23 0.00 0.00 176.91 177.82 1xax h GLU 134 N 0.74 -0.87 -0.31 0.39 4.39 0.13 0.85 114.58 119.89 1xax h GLU 134 Ca 0.18 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1xax h GLU 134 Cb 0.11 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1xax h GLU 134 CO -0.02 -0.58 0.17 1.03 -1.16 0.00 0.00 179.01 178.45 1xax h SER 135 N -0.90 0.37 0.91 1.42 0.87 -0.63 0.57 113.55 116.16 1xax h SER 135 Ca -0.07 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1xax h SER 135 Cb 0.76 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1xax h SER 135 CO -0.01 0.30 -0.48 0.25 -0.53 0.00 0.00 176.83 176.36 1xax h LEU 136 N 0.43 -1.18 -1.27 2.23 7.12 0.49 0.26 115.31 123.39 1xax h LEU 136 Ca 0.11 0.05 0.04 0.00 0.13 0.00 0.00 57.88 58.21 1xax h LEU 136 Cb 0.01 0.32 -0.04 0.00 -0.53 0.00 0.00 40.66 40.42 1xax h LEU 136 CO -0.02 -0.78 0.51 -0.08 -0.13 0.00 0.00 178.44 177.94 1xax h GLU 137 N -1.28 0.92 0.00 1.25 4.22 0.10 0.05 114.58 119.84 1xax h GLU 137 Ca -0.12 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.21 1xax h GLU 137 Cb 1.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1xax h GLU 137 CO 0.17 0.61 -0.23 1.15 -2.18 0.00 0.00 179.01 178.53 1xax h THR 138 N 0.95 0.90 -0.04 0.32 2.02 -0.57 0.24 112.91 116.73 1xax h THR 138 Ca 0.31 -0.85 -0.24 0.00 0.77 0.00 0.00 66.41 66.40 1xax h THR 138 Cb 0.07 1.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1xax h THR 138 CO -0.09 0.22 -0.95 -0.61 0.37 0.00 0.00 175.52 174.46 1xax h GLN 139 N 0.00 0.65 0.02 6.66 5.75 0.15 0.70 115.11 129.04 1xax h GLN 139 Ca -0.00 -0.65 -0.26 0.00 -0.15 0.00 0.00 58.65 57.59 1xax h GLN 139 Cb 0.48 0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1xax h GLN 139 CO 0.03 1.25 -1.36 0.82 -2.65 0.00 0.00 178.83 176.91 1xax h ILE 140 N 0.39 1.29 0.00 2.39 2.04 -1.23 -2.28 117.51 120.11 1xax h ILE 140 Ca -0.10 -3.04 -0.05 0.00 1.00 0.00 0.00 64.86 62.67 1xax h ILE 140 Cb 1.59 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 40.34 1xax h ILE 140 CO 0.18 0.77 -0.48 0.24 0.00 0.00 0.00 178.15 178.86 1xax h MET 141 N 0.01 0.00 0.08 2.37 2.86 -0.60 -3.38 114.93 116.27 1xax h MET 141 Ca -0.16 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.24 1xax h MET 141 Cb 1.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 1xax h MET 141 CO 0.12 0.35 -1.29 0.37 1.06 0.00 0.00 176.91 177.51 1xax h GLN 142 N -1.00 0.17 -1.30 1.72 4.15 -0.36 -3.11 115.11 115.38 1xax h GLN 142 Ca -0.08 -0.30 0.38 0.00 0.77 0.00 0.00 58.65 59.42 1xax h GLN 142 Cb 0.62 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 1xax h GLN 142 CO -0.05 1.14 1.03 0.78 -1.93 0.00 0.00 178.83 179.81 1xax h GLY 143 N -0.18 0.00 0.23 2.39 0.00 0.76 0.37 103.07 106.64 1xax h GLY 143 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.69 1xax h GLY 143 CO 0.00 0.00 -2.22 1.04 0.00 0.00 0.00 176.54 175.36 1xax n LEU 144 N -3.90 0.20 -1.89 3.11 4.32 -1.22 -5.00 117.00 112.63 1xax n LEU 144 Ca 0.28 0.10 -0.02 0.00 -0.02 0.00 0.00 56.01 56.35 1xax n LEU 144 Cb 1.44 0.42 0.01 0.00 -1.62 0.00 0.00 43.42 43.66 1xax n LEU 144 CO 0.37 0.46 0.04 0.61 -1.22 0.00 0.00 177.39 177.66 1xax n GLY 145 N 1.70 -0.01 0.00 -0.72 0.00 0.13 -5.12 105.19 101.16 1xax n GLY 145 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01