#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 4.35 -0.04 0.44 0.11 -1.25 -0.62 120.40 123.39 1xax s VAL 4 Ca 0.00 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.44 1xax s VAL 4 Cb 0.00 -4.94 -0.02 0.00 -1.53 0.00 0.00 36.38 29.88 1xax s VAL 4 CO 0.00 -1.74 0.97 -0.76 -3.33 0.00 0.00 175.10 170.24 1xax s LEU 5 N 3.74 4.33 0.08 2.54 1.43 0.13 -4.87 118.68 126.05 1xax s LEU 5 Ca 0.41 1.59 -0.08 0.00 -1.03 0.00 0.00 54.13 55.02 1xax s LEU 5 Cb -0.02 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.66 1xax s LEU 5 CO -0.08 -0.31 0.16 0.68 0.23 0.00 0.00 176.35 177.03 1xax s VAL 6 N 1.31 0.15 -0.44 -1.59 -7.23 -1.26 -0.04 120.40 111.30 1xax s VAL 6 Ca 0.50 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 59.50 1xax s VAL 6 Cb -0.20 -1.29 0.19 0.00 0.56 0.00 0.00 36.38 35.64 1xax s VAL 6 CO 0.24 -0.67 0.50 0.47 -0.31 0.00 0.00 175.10 175.33 1xax n ASP 7 N 0.09 -1.40 -4.59 4.85 8.00 0.25 -4.93 116.55 118.83 1xax n ASP 7 Ca -0.16 -2.62 -0.39 0.00 0.71 0.00 0.00 54.79 52.34 1xax n ASP 7 Cb 0.62 0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.84 1xax n ASP 7 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1xax s LEU 8 N 0.09 4.07 0.07 0.64 -0.00 -1.22 0.19 118.68 122.53 1xax s LEU 8 Ca 0.32 0.06 -0.08 0.00 -0.00 0.00 0.00 54.13 54.43 1xax s LEU 8 Cb 0.06 -2.23 -0.01 0.00 -0.00 0.00 0.00 46.19 44.01 1xax s LEU 8 CO -0.15 -0.12 0.16 0.00 -0.00 0.00 0.00 176.35 176.24 1xax s GLN 9 N 1.87 0.77 0.26 1.48 -2.07 -0.00 -4.72 119.66 117.25 1xax s GLN 9 Ca 0.10 -0.91 -0.01 0.00 -1.82 0.00 0.00 55.36 52.71 1xax s GLN 9 Cb -0.16 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 1xax s GLN 9 CO 0.11 -0.23 0.47 -1.50 -1.32 0.00 0.00 175.29 172.82 1xax s ILE 10 N -3.54 5.13 -0.40 3.63 2.07 -1.26 0.12 121.20 126.95 1xax s ILE 10 Ca 0.03 -0.30 0.12 0.00 -1.41 0.00 0.00 60.65 59.09 1xax s ILE 10 Cb 0.04 -3.77 0.38 0.00 0.13 0.00 0.00 42.46 39.24 1xax s ILE 10 CO -0.09 -0.32 0.85 0.00 -1.91 0.00 0.00 174.94 173.46 1xax n ALA 11 N -1.05 2.99 -2.86 1.50 0.00 0.22 -4.81 120.51 116.49 1xax n ALA 11 Ca -0.04 -3.60 -0.32 0.00 0.00 0.00 0.00 53.44 49.48 1xax n ALA 11 Cb 0.55 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 18.96 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 -3.14 2.13 0.38 0.00 -4.23 -1.26 -4.31 115.64 105.20 1xax s THR 12 Ca 0.39 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 59.95 1xax s THR 12 Cb 0.37 -1.78 0.30 0.00 1.34 0.00 0.00 72.50 72.73 1xax s THR 12 CO -0.07 0.57 1.95 -0.08 -0.54 0.00 0.00 174.62 176.45 1xax h GLU 13 N 6.22 0.66 -2.90 3.99 4.81 -2.00 -3.42 114.58 121.94 1xax h GLU 13 Ca -0.29 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.77 1xax h GLU 13 Cb 1.19 -0.15 -0.24 0.00 0.63 0.00 0.00 28.75 30.18 1xax h GLU 13 CO 0.47 0.43 -0.30 -0.80 -0.73 0.00 0.00 179.01 178.09 1xax s ASN 14 N -6.15 -0.35 0.29 1.04 0.01 -1.26 -5.17 114.94 103.35 1xax s ASN 14 Ca -0.09 0.64 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 1xax s ASN 14 Cb 0.20 0.67 -0.02 0.00 0.41 0.00 0.00 41.25 42.51 1xax s ASN 14 CO 0.77 -0.16 0.32 0.27 -1.51 0.00 0.00 177.10 176.79 1xax s ILE 15 N 0.03 0.00 -0.46 0.60 -5.25 -1.26 -5.04 121.20 109.81 1xax s ILE 15 Ca -0.01 -1.82 0.02 0.00 -0.99 0.00 0.00 60.65 57.85 1xax s ILE 15 Cb -0.03 -2.51 0.57 0.00 2.95 0.00 0.00 42.46 43.44 1xax s ILE 15 CO 0.01 0.00 1.89 -0.62 -1.79 0.00 0.00 174.94 174.43 1xax n GLU 16 N -0.49 2.25 0.00 0.37 1.02 -1.26 -4.71 120.64 117.82 1xax n GLU 16 Ca 0.03 -2.84 0.00 0.00 -0.02 0.00 0.00 57.16 54.34 1xax n GLU 16 Cb 0.63 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1xax n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xax n GLY 17 N -0.95 0.24 3.51 0.62 0.00 -1.26 -5.13 105.19 102.22 1xax n GLY 17 Ca 0.56 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 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 1.51 -4.84 0.99 -0.00 -1.26 -4.96 117.00 108.44 1xax n LEU 18 Ca 0.00 0.78 -0.35 0.00 -0.00 0.00 0.00 56.01 56.44 1xax n LEU 18 Cb 0.00 -1.23 -0.06 0.00 -0.00 0.00 0.00 43.42 42.13 1xax n LEU 18 CO 0.00 -2.68 0.30 -2.16 -0.00 0.00 0.00 177.39 172.85 1xax s PRO 19 N -2.20 4.03 -0.19 1.47 0.04 -1.26 -5.08 135.00 131.81 1xax s PRO 19 Ca 0.70 0.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 1xax s PRO 19 Cb -0.45 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1xax s PRO 19 CO 0.53 0.41 0.04 0.95 0.04 0.00 0.00 177.00 178.97 1xax s THR 20 N -1.57 4.54 0.05 1.26 -4.23 -1.26 -4.88 115.64 109.56 1xax s THR 20 Ca 0.42 -0.12 -0.21 0.00 -1.18 0.00 0.00 61.69 60.59 1xax s THR 20 Cb -0.15 -3.05 -0.13 0.00 1.34 0.00 0.00 72.50 70.52 1xax s THR 20 CO 0.20 0.45 1.46 1.05 -0.54 0.00 0.00 174.62 177.24 1xax h GLU 21 N 6.90 0.24 -0.40 3.99 4.11 -1.98 -1.68 114.58 125.76 1xax h GLU 21 Ca -0.36 -0.08 0.08 0.00 0.07 0.00 0.00 59.36 59.07 1xax h GLU 21 Cb 1.17 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1xax h GLU 21 CO 0.67 0.50 -0.32 0.93 0.07 0.00 0.00 179.01 180.86 1xax h GLU 22 N -0.04 -0.24 0.19 1.06 3.07 -1.96 1.03 114.58 117.68 1xax h GLU 22 Ca 0.04 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1xax h GLU 22 Cb 0.40 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xax h GLU 22 CO 0.01 -0.16 -0.09 0.37 -1.40 0.00 0.00 179.01 177.74 1xax h GLN 23 N -0.25 -0.24 -0.15 2.33 4.15 -1.98 0.71 115.11 119.69 1xax h GLN 23 Ca 0.17 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.64 1xax h GLN 23 Cb 0.54 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 1xax h GLN 23 CO -0.54 -0.16 -0.50 0.82 -1.93 0.00 0.00 178.83 176.53 1xax h ILE 24 N -0.27 0.00 -0.04 2.39 2.04 -1.18 0.85 117.51 121.30 1xax h ILE 24 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1xax h ILE 24 Cb 0.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 1xax h ILE 24 CO 0.04 0.00 -0.47 0.58 0.00 0.00 0.00 178.15 178.30 1xax h VAL 25 N -0.51 0.08 0.43 1.67 2.07 0.10 0.21 116.25 120.30 1xax h VAL 25 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1xax h VAL 25 Cb 0.61 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1xax h VAL 25 CO -0.41 0.00 -0.36 -0.61 0.02 0.00 0.00 177.57 176.21 1xax h GLN 26 N -0.59 -0.76 0.05 1.57 4.15 -0.50 1.43 115.11 120.46 1xax h GLN 26 Ca 0.04 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1xax h GLN 26 Cb 0.68 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 28.50 1xax h GLN 26 CO -0.36 -0.51 -0.45 2.35 -1.93 0.00 0.00 178.83 177.93 1xax h TRP 27 N -0.79 -1.32 0.00 3.99 2.91 0.96 0.19 115.95 121.89 1xax h TRP 27 Ca -0.04 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1xax h TRP 27 Cb 0.68 0.57 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 1xax h TRP 27 CO -0.17 -0.50 0.00 0.00 -1.03 0.00 0.00 178.44 176.74 1xax n ALA 28 N -2.87 -0.01 0.11 2.65 0.00 0.73 -2.71 120.51 118.41 1xax n ALA 28 Ca -0.07 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.56 1xax n ALA 28 Cb 0.34 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.54 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 0.57 0.00 0.00 2.02 -0.43 0.33 112.91 115.40 1xax h THR 29 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1xax h THR 29 Cb 0.00 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1xax h THR 29 CO 0.00 0.00 -0.82 1.23 0.37 0.00 0.00 175.52 176.30 1xax h GLY 30 N 0.00 0.00 0.56 2.16 0.00 0.48 -3.13 103.07 103.13 1xax h GLY 30 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1xax h GLY 30 CO -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.43 1xax n ALA 31 N -2.33 2.77 -0.12 3.60 0.00 0.05 -2.91 120.51 121.58 1xax n ALA 31 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 1xax n ALA 31 Cb 0.83 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.71 1.52 -2.29 0.00 3.14 -0.89 -4.71 118.33 114.39 1xax n VAL 32 Ca 0.16 -0.15 -0.23 0.00 -2.96 0.00 0.00 64.34 61.16 1xax n VAL 32 Cb 0.29 -2.04 0.01 0.00 -1.06 0.00 0.00 33.84 31.04 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 -4.37 3.28 0.06 1.45 6.02 -1.19 -4.83 117.38 117.80 1xax n GLN 33 Ca -0.38 -4.21 -0.11 0.00 -0.01 0.00 0.00 57.00 52.28 1xax n GLN 33 Cb 0.72 -2.17 -0.05 0.00 1.02 0.00 0.00 30.24 29.77 1xax n GLN 33 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1xax h PRO 34 N 2.41 -0.40 -0.12 -1.09 0.13 -1.77 -3.03 132.00 128.14 1xax h PRO 34 Ca 0.28 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.37 1xax h PRO 34 Cb 1.25 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1xax h PRO 34 CO 0.74 -0.27 -0.40 -1.91 -0.23 0.00 0.00 178.00 175.94 1xax n GLU 35 N -5.39 1.72 0.00 0.86 2.13 -1.26 -4.97 120.64 113.73 1xax n GLU 35 Ca -0.05 -3.31 0.00 0.00 0.66 0.00 0.00 57.16 54.46 1xax n GLU 35 Cb 0.30 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1xax n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xax n GLY 36 N -1.11 1.79 3.51 8.31 0.00 -1.14 -5.08 105.19 111.47 1xax n GLY 36 Ca 0.24 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.06 1xax n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xax n ASN 37 N 0.00 0.24 -4.88 1.61 4.13 -1.26 -4.13 115.26 110.97 1xax n ASN 37 Ca 0.00 -1.51 -0.32 0.00 1.68 0.00 0.00 54.58 54.42 1xax n ASN 37 Cb 0.00 -0.88 -0.05 0.00 -1.54 0.00 0.00 39.78 37.31 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 -5.54 3.73 0.27 3.52 2.12 -1.26 -2.37 118.70 119.18 1xax s GLU 38 Ca 0.67 0.13 -0.20 0.00 0.36 0.00 0.00 54.97 55.94 1xax s GLU 38 Cb -0.02 -2.77 0.02 0.00 0.26 0.00 0.00 34.13 31.62 1xax s GLU 38 CO 0.47 0.41 0.68 0.14 -0.54 0.00 0.00 175.26 176.42 1xax s VAL 39 N -1.70 0.00 -0.24 3.70 -7.23 0.21 -4.79 120.40 110.35 1xax s VAL 39 Ca 0.43 -1.04 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 1xax s VAL 39 Cb -0.12 -2.01 0.08 0.00 0.56 0.00 0.00 36.38 34.89 1xax s VAL 39 CO 0.22 -0.00 0.09 -0.70 -0.31 0.00 0.00 175.10 174.40 1xax s GLU 40 N -3.93 0.34 -0.28 4.82 2.12 -1.22 0.20 118.70 120.74 1xax s GLU 40 Ca 0.12 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.00 1xax s GLU 40 Cb -0.05 -1.69 0.08 0.00 0.26 0.00 0.00 34.13 32.73 1xax s GLU 40 CO 0.07 -0.84 -0.01 1.41 -0.54 0.00 0.00 175.26 175.36 1xax s MET 41 N 1.98 1.52 0.01 4.30 1.75 0.94 0.20 119.30 130.01 1xax s MET 41 Ca 0.05 -1.34 -0.08 0.00 -1.25 0.00 0.00 55.69 53.08 1xax s MET 41 Cb -0.16 -2.73 -0.05 0.00 2.84 0.00 0.00 34.83 34.72 1xax s MET 41 CO -0.21 -0.76 0.29 0.95 -0.65 0.00 0.00 175.02 174.64 1xax s THR 42 N 1.23 5.26 -0.12 10.11 -4.23 0.13 -0.58 115.64 127.44 1xax s THR 42 Ca 0.01 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1xax s THR 42 Cb -0.19 -3.58 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1xax s THR 42 CO -0.10 0.37 0.38 -0.69 -0.54 0.00 0.00 174.62 174.05 1xax s VAL 43 N -1.29 0.01 -0.04 2.29 1.01 0.13 -0.28 120.40 122.23 1xax s VAL 43 Ca 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1xax s VAL 43 Cb -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1xax s VAL 43 CO 0.16 -0.03 0.10 -0.13 0.00 0.00 0.00 175.10 175.19 1xax s ARG 44 N -0.02 0.10 -0.35 2.72 0.52 0.12 -0.82 118.95 121.22 1xax s ARG 44 Ca -0.02 0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 1xax s ARG 44 Cb -0.03 0.00 0.10 0.00 0.52 0.00 0.00 34.95 35.54 1xax s ARG 44 CO 0.01 -0.04 0.07 0.96 0.02 0.00 0.00 175.30 176.32 1xax s ILE 45 N 0.27 2.47 0.23 1.52 -0.00 0.12 -0.50 121.20 125.32 1xax s ILE 45 Ca -0.02 -2.24 0.04 0.00 -0.00 0.00 0.00 60.65 58.43 1xax s ILE 45 Cb -0.03 -2.77 -0.05 0.00 -0.00 0.00 0.00 42.46 39.61 1xax s ILE 45 CO -0.01 -0.58 -0.01 0.54 -0.00 0.00 0.00 174.94 174.89 1xax s VAL 46 N 0.96 1.07 0.99 8.37 0.11 -0.64 0.70 120.40 131.96 1xax s VAL 46 Ca 0.09 -2.04 -0.16 0.00 -2.93 0.00 0.00 61.98 56.95 1xax s VAL 46 Cb -0.20 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.27 1xax s VAL 46 CO -0.07 -0.33 -0.18 0.47 -3.33 0.00 0.00 175.10 171.67 1xax n ASP 47 N -0.42 -3.58 -0.06 3.54 9.92 -1.26 -4.15 116.55 120.53 1xax n ASP 47 Ca -0.05 0.22 -0.12 0.00 -0.53 0.00 0.00 54.79 54.31 1xax n ASP 47 Cb 0.64 -0.98 -0.05 0.00 -0.64 0.00 0.00 41.12 40.08 1xax n ASP 47 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1xax h GLU 48 N -1.38 0.34 -0.19 -1.24 4.11 -1.97 -3.05 114.58 111.20 1xax h GLU 48 Ca -0.44 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 58.88 1xax h GLU 48 Cb 1.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1xax h GLU 48 CO 0.30 0.56 0.11 0.00 0.07 0.00 0.00 179.01 180.05 1xax h ALA 49 N 0.76 0.23 -0.04 1.06 0.00 -1.98 -2.12 119.26 117.18 1xax h ALA 49 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xax h ALA 49 Cb 0.42 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xax h ALA 49 CO 0.01 -0.31 -0.45 0.93 0.00 0.00 0.00 179.25 179.43 1xax h GLU 50 N 0.23 -0.52 -0.04 0.00 4.39 -1.91 0.28 114.58 117.01 1xax h GLU 50 Ca 0.07 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1xax h GLU 50 Cb -0.00 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 1xax h GLU 50 CO -0.04 -0.35 -0.28 0.66 -1.16 0.00 0.00 179.01 177.85 1xax h SER 51 N -0.54 -0.83 -0.43 1.42 4.64 -1.51 0.90 113.55 117.20 1xax h SER 51 Ca 0.02 0.12 0.12 0.00 -0.47 0.00 0.00 61.79 61.58 1xax h SER 51 Cb 0.59 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1xax h SER 51 CO -0.32 -0.34 0.33 0.45 -0.87 0.00 0.00 176.83 176.08 1xax h HIS 52 N -0.40 0.00 0.11 4.77 3.86 -1.06 0.30 115.15 122.73 1xax h HIS 52 Ca 0.07 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.99 1xax h HIS 52 Cb 0.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1xax h HIS 52 CO -0.33 0.00 -1.48 0.93 0.86 0.00 0.00 177.93 177.91 1xax h GLU 53 N 0.00 0.23 0.72 2.45 5.08 0.13 -3.06 114.58 120.12 1xax h GLU 53 Ca 0.20 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1xax h GLU 53 Cb 0.86 0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1xax h GLU 53 CO -0.00 1.09 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.68 1xax h LEU 54 N 0.06 -0.82 -0.19 1.33 -0.00 0.35 0.21 115.31 116.26 1xax h LEU 54 Ca -0.22 0.02 0.04 0.00 -0.00 0.00 0.00 57.88 57.71 1xax h LEU 54 Cb 2.00 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 42.83 1xax h LEU 54 CO 0.16 -0.45 -0.03 -0.55 -0.00 0.00 0.00 178.44 177.56 1xax h ASN 55 N -1.23 -0.15 -0.46 -0.43 -1.07 -0.72 -0.33 115.58 111.19 1xax h ASN 55 Ca -0.10 0.05 -0.04 0.00 0.07 0.00 0.00 56.30 56.29 1xax h ASN 55 Cb 0.75 0.11 -0.02 0.00 -2.07 0.00 0.00 38.32 37.09 1xax h ASN 55 CO 0.16 -0.05 0.14 -0.07 0.07 0.00 0.00 177.43 177.69 1xax h LEU 56 N 0.02 0.67 -2.62 6.14 4.07 -1.61 0.26 115.31 122.24 1xax h LEU 56 Ca 0.09 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1xax h LEU 56 Cb 0.13 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1xax h LEU 56 CO -0.18 0.70 0.07 0.74 -1.08 0.00 0.00 178.44 178.68 1xax h THR 57 N 0.61 0.22 0.08 0.22 2.02 -0.15 -1.76 112.91 114.14 1xax h THR 57 Ca 0.15 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 67.08 1xax h THR 57 Cb 0.27 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1xax h THR 57 CO -0.00 0.00 -1.29 1.88 0.37 0.00 0.00 175.52 176.48 1xax h TYR 58 N 0.00 0.30 0.00 3.16 0.05 0.47 -3.47 116.97 117.48 1xax h TYR 58 Ca 0.01 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.58 1xax h TYR 58 Cb 0.15 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1xax h TYR 58 CO 0.00 1.50 0.00 2.89 -1.05 0.00 0.00 178.16 181.50 1xax n ARG 59 N -4.08 0.00 0.00 4.88 -4.01 0.77 -5.06 116.66 109.17 1xax n ARG 59 Ca -0.26 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.55 1xax n ARG 59 Cb 0.82 -0.12 0.00 0.00 -3.04 0.00 0.00 32.46 30.12 1xax n ARG 59 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1xax n GLY 60 N -0.43 1.32 0.00 2.89 0.00 -0.96 -4.92 105.19 103.09 1xax n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xax n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xax n LYS 61 N 0.00 0.19 -0.48 1.61 4.81 -1.25 -4.85 118.16 118.19 1xax n LYS 61 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1xax n LYS 61 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 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 -1.09 -2.86 -1.22 3.14 2.03 -1.26 -4.78 116.55 110.51 1xax n ASP 62 Ca 0.00 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1xax n ASP 62 Cb 0.00 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1xax n ASP 62 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1xax n ARG 63 N -0.93 2.70 -1.10 -0.67 0.63 -1.26 -4.82 116.66 111.21 1xax n ARG 63 Ca 0.06 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.79 1xax n ARG 63 Cb 0.25 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 33.01 1xax n ARG 63 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1xax n PRO 64 N 0.00 0.00 -0.55 -0.14 -0.02 -1.26 -4.83 135.00 128.21 1xax n PRO 64 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1xax n PRO 64 Cb 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 4.40 0.00 0.00 3.45 5.66 -1.26 -5.09 114.28 121.43 1xax n THR 65 Ca 0.50 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.50 1xax n THR 65 Cb 0.08 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 1xax n THR 65 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1xax n ASN 66 N -0.73 2.01 -3.35 1.09 6.94 -1.26 -4.94 115.26 115.02 1xax n ASN 66 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.30 1xax n ASN 66 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1xax n ASN 66 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1xax n VAL 67 N -2.27 -0.14 -2.80 3.53 0.24 -1.26 -3.52 118.33 112.11 1xax n VAL 67 Ca 0.00 -4.12 -0.39 0.00 -2.04 0.00 0.00 64.34 57.79 1xax n VAL 67 Cb 0.31 -1.92 -0.06 0.00 -1.47 0.00 0.00 33.84 30.71 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 -1.07 4.53 0.00 1.34 2.96 -0.86 -4.77 118.68 120.81 1xax s LEU 68 Ca 0.34 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 1xax s LEU 68 Cb 0.11 -3.70 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1xax s LEU 68 CO -0.12 0.09 0.00 -0.24 -1.32 0.00 0.00 176.35 174.75 1xax n SER 69 N 1.18 1.91 -3.13 3.68 2.88 -1.26 0.93 113.62 119.81 1xax n SER 69 Ca -0.01 -0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 56.65 1xax n SER 69 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.91 1xax n SER 69 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1xax s PHE 70 N -0.47 -0.79 0.32 0.66 0.08 0.20 -4.64 117.98 113.33 1xax s PHE 70 Ca 0.00 -0.80 -0.27 0.00 0.12 0.00 0.00 56.93 55.98 1xax s PHE 70 Cb 0.00 -0.10 -0.09 0.00 -0.57 0.00 0.00 43.02 42.26 1xax s PHE 70 CO 0.00 -1.09 1.02 -1.25 -0.10 0.00 0.00 175.22 173.79 1xax s PRO 71 N 1.06 4.52 1.16 0.24 0.04 -1.26 0.02 135.00 140.79 1xax s PRO 71 Ca 0.24 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1xax s PRO 71 Cb -0.04 -2.91 0.27 0.00 0.04 0.00 0.00 34.50 31.85 1xax s PRO 71 CO -0.07 0.18 1.07 -0.59 0.04 0.00 0.00 177.00 177.63 1xax s PHE 72 N -1.43 0.96 -0.50 0.56 -0.71 -1.26 -4.83 117.98 110.78 1xax s PHE 72 Ca 0.49 0.72 -0.26 0.00 -1.04 0.00 0.00 56.93 56.85 1xax s PHE 72 Cb -0.25 -3.29 -0.07 0.00 -1.21 0.00 0.00 43.02 38.20 1xax s PHE 72 CO 0.31 -3.72 2.41 -1.21 -1.34 0.00 0.00 175.22 171.67 1xax s GLU 73 N -5.12 2.08 -0.68 1.99 2.02 -1.26 -4.90 118.70 112.83 1xax s GLU 73 Ca 0.69 1.38 -0.13 0.00 0.02 0.00 0.00 54.97 56.92 1xax s GLU 73 Cb -0.15 -4.59 0.17 0.00 0.10 0.00 0.00 34.13 29.67 1xax s GLU 73 CO 0.58 -3.32 0.60 0.00 0.02 0.00 0.00 175.26 173.15 1xax n PRO 75 N 4.44 0.00 0.00 0.00 -0.04 -1.26 -4.91 135.00 133.23 1xax n PRO 75 Ca 0.02 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1xax n PRO 75 Cb 0.43 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.25 0.00 0.00 3.54 9.92 -1.26 -5.06 116.55 122.44 1xax n ASP 76 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xax n ASP 76 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xax n ASP 76 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1xax n GLU 77 N -0.69 0.00 -0.36 -1.24 0.28 -1.26 -5.15 120.64 112.21 1xax n GLU 77 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1xax n GLU 77 Cb 0.00 -0.48 -0.01 0.00 1.43 0.00 0.00 31.44 32.38 1xax n GLU 77 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1xax n VAL 78 N -2.37 0.00 -3.33 3.84 0.24 -1.26 -4.84 118.33 110.61 1xax n VAL 78 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 1xax n VAL 78 Cb 0.24 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.07 0.37 -0.20 7.34 2.02 -1.26 -4.88 118.70 121.02 1xax s GLU 79 Ca 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1xax s GLU 79 Cb 0.00 -0.42 0.15 0.00 0.10 0.00 0.00 34.13 33.96 1xax s GLU 79 CO 0.00 -0.83 1.11 -0.48 0.02 0.00 0.00 175.26 175.09 1xax s LEU 80 N 2.53 -0.27 -0.05 1.80 2.34 -1.26 -5.08 118.68 118.70 1xax s LEU 80 Ca 0.11 0.30 -0.30 0.00 0.06 0.00 0.00 54.13 54.31 1xax s LEU 80 Cb -0.14 1.62 -0.06 0.00 -0.56 0.00 0.00 46.19 47.06 1xax s LEU 80 CO -0.23 -0.24 1.63 -2.16 -1.06 0.00 0.00 176.35 174.29 1xax s PRO 81 N -1.03 4.19 -0.19 1.48 0.04 -1.26 -4.69 135.00 133.53 1xax s PRO 81 Ca 0.02 2.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1xax s PRO 81 Cb -0.01 -3.94 0.12 0.00 0.04 0.00 0.00 34.50 30.71 1xax s PRO 81 CO -0.02 -0.83 0.97 -0.48 0.04 0.00 0.00 177.00 176.69 1xax s LEU 82 N 3.88 -0.43 0.00 -3.56 -0.00 -1.26 -4.41 118.68 112.89 1xax s LEU 82 Ca 0.73 0.62 0.00 0.00 -0.00 0.00 0.00 54.13 55.47 1xax s LEU 82 Cb -0.33 1.95 0.00 0.00 -0.00 0.00 0.00 46.19 47.80 1xax s LEU 82 CO 0.29 -0.30 0.00 0.18 -0.00 0.00 0.00 176.35 176.52 1xax n LEU 83 N 1.30 0.00 0.00 1.48 4.77 0.13 -4.85 117.00 119.83 1xax n LEU 83 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1xax n LEU 83 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1xax n LEU 83 CO 0.12 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1xax n GLY 84 N 1.96 -0.61 3.96 -0.72 0.00 -1.07 -4.86 105.19 103.85 1xax n GLY 84 Ca 0.00 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 1xax n GLY 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xax s ASP 85 N -1.30 6.05 0.10 1.61 -1.08 0.10 0.22 116.67 122.38 1xax s ASP 85 Ca 0.00 0.14 0.05 0.00 -0.52 0.00 0.00 52.55 52.22 1xax s ASP 85 Cb 0.00 -1.60 -0.04 0.00 -1.46 0.00 0.00 42.92 39.82 1xax s ASP 85 CO 0.00 -0.43 -0.12 -0.76 0.52 0.00 0.00 175.17 174.38 1xax s LEU 86 N -4.29 2.38 -0.40 -1.34 1.43 0.62 0.60 118.68 117.67 1xax s LEU 86 Ca 0.43 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1xax s LEU 86 Cb -0.10 -0.45 0.16 0.00 0.03 0.00 0.00 46.19 45.84 1xax s LEU 86 CO 0.34 -0.18 0.38 -0.69 0.23 0.00 0.00 176.35 176.44 1xax s VAL 87 N -2.08 -0.08 0.28 -1.59 1.01 0.26 0.13 120.40 118.33 1xax s VAL 87 Ca 0.05 -1.77 0.07 0.00 0.00 0.00 0.00 61.98 60.33 1xax s VAL 87 Cb -0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1xax s VAL 87 CO 0.02 -0.83 0.26 -0.63 0.00 0.00 0.00 175.10 173.91 1xax s ILE 88 N 0.74 4.22 -0.13 2.22 1.01 0.35 -2.03 121.20 127.58 1xax s ILE 88 Ca 0.25 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 1xax s ILE 88 Cb -0.07 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1xax s ILE 88 CO -0.09 -0.28 0.50 0.00 0.00 0.00 0.00 174.94 175.07 1xax h ARG 90 N 6.90 0.45 -0.89 0.00 -0.00 -1.84 -3.02 114.38 115.98 1xax h ARG 90 Ca -0.39 -0.44 0.15 0.00 -0.00 0.00 0.00 59.98 59.30 1xax h ARG 90 Cb 1.17 0.11 -0.09 0.00 -0.00 0.00 0.00 29.97 31.16 1xax h ARG 90 CO 0.75 1.09 0.49 -0.56 -0.00 0.00 0.00 179.97 181.74 1xax h GLN 91 N 0.28 0.68 0.00 0.08 3.07 -1.93 0.94 115.11 118.23 1xax h GLN 91 Ca -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.63 1xax h GLN 91 Cb 1.49 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.89 1xax h GLN 91 CO 0.15 0.45 -0.00 -0.39 0.09 0.00 0.00 178.83 179.13 1xax h VAL 92 N 0.70 1.53 -0.26 1.86 -1.51 -1.98 -2.76 116.25 113.84 1xax h VAL 92 Ca 0.48 -2.12 -0.05 0.00 -1.23 0.00 0.00 66.70 63.78 1xax h VAL 92 Cb 0.66 2.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.70 1xax h VAL 92 CO -0.35 0.51 -0.03 -0.37 -1.23 0.00 0.00 177.57 176.11 1xax h VAL 93 N -0.99 1.27 -0.57 7.19 -1.51 -1.39 0.11 116.25 120.36 1xax h VAL 93 Ca -0.00 -0.99 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1xax h VAL 93 Cb 0.85 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 31.38 1xax h VAL 93 CO 0.00 0.31 0.34 -0.08 -1.23 0.00 0.00 177.57 176.92 1xax h GLU 94 N 0.23 0.77 -0.08 5.19 4.22 0.76 0.78 114.58 126.45 1xax h GLU 94 Ca 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1xax h GLU 94 Cb 0.47 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xax h GLU 94 CO 0.02 0.54 -0.04 -0.09 -2.18 0.00 0.00 179.01 177.25 1xax h ARG 95 N 0.78 0.17 -0.77 1.92 2.43 -1.21 0.25 114.38 117.96 1xax h ARG 95 Ca 0.21 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1xax h ARG 95 Cb -0.03 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1xax h ARG 95 CO -0.04 0.54 0.33 0.93 -1.51 0.00 0.00 179.97 180.22 1xax h GLU 96 N -0.20 1.13 0.00 0.20 5.08 -0.16 0.26 114.58 120.89 1xax h GLU 96 Ca 0.02 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1xax h GLU 96 Cb 0.49 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xax h GLU 96 CO 0.01 0.90 -0.34 0.00 -1.00 0.00 0.00 179.01 178.59 1xax h ALA 97 N 1.24 1.06 0.04 3.43 0.00 0.67 0.34 119.26 126.05 1xax h ALA 97 Ca 0.26 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1xax h ALA 97 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xax h ALA 97 CO -0.03 0.42 -1.24 1.03 0.00 0.00 0.00 179.25 179.44 1xax h SER 98 N 0.00 0.14 0.72 0.00 0.87 0.50 -3.29 113.55 112.48 1xax h SER 98 Ca -0.00 -0.17 -0.26 0.00 -1.23 0.00 0.00 61.79 60.14 1xax h SER 98 Cb 0.81 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1xax h SER 98 CO 0.04 1.13 -1.38 -0.08 -0.53 0.00 0.00 176.83 176.02 1xax h GLU 99 N 0.02 0.01 0.00 2.24 4.22 -0.31 -3.31 114.58 117.46 1xax h GLU 99 Ca -0.11 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 1xax h GLU 99 Cb 1.88 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.14 1xax h GLU 99 CO 0.14 0.75 -0.12 -0.56 -2.18 0.00 0.00 179.01 177.05 1xax h GLN 100 N 0.00 0.00 -4.19 1.92 3.07 -0.42 -3.47 115.11 112.02 1xax h GLN 100 Ca -0.16 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.38 1xax h GLN 100 Cb 1.90 0.00 0.10 0.00 0.08 0.00 0.00 27.48 29.56 1xax h GLN 100 CO 0.11 0.12 -0.46 0.39 0.09 0.00 0.00 178.83 179.07 1xax n GLU 101 N -3.94 -3.99 -4.05 0.06 -0.58 -1.24 -5.05 120.64 101.85 1xax n GLU 101 Ca -0.02 0.51 -0.10 0.00 -0.42 0.00 0.00 57.16 57.13 1xax n GLU 101 Cb 0.21 -4.53 -0.08 0.00 -0.57 0.00 0.00 31.44 26.47 1xax n GLU 101 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1xax s LYS 102 N -4.83 1.05 0.32 3.49 3.01 -1.25 -5.13 119.74 116.39 1xax s LYS 102 Ca 0.00 -1.30 -0.29 0.00 -1.01 0.00 0.00 55.97 53.37 1xax s LYS 102 Cb -0.00 0.31 -0.11 0.00 -1.01 0.00 0.00 37.83 37.03 1xax s LYS 102 CO 0.44 -0.35 1.47 -1.25 0.51 0.00 0.00 175.35 176.17 1xax s PRO 103 N -4.01 4.20 0.47 -1.68 0.04 -1.26 -4.87 135.00 127.88 1xax s PRO 103 Ca 0.20 2.44 0.30 0.00 0.04 0.00 0.00 61.00 63.99 1xax s PRO 103 Cb 0.05 -3.04 1.17 0.00 0.04 0.00 0.00 34.50 32.73 1xax s PRO 103 CO 0.01 -0.47 1.89 -0.07 0.04 0.00 0.00 177.00 178.40 1xax h LEU 104 N 4.03 0.00 -0.38 -3.56 3.38 -1.99 -3.25 115.31 113.54 1xax h LEU 104 Ca -0.48 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.57 1xax h LEU 104 Cb 1.23 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 1xax h LEU 104 CO 0.71 0.00 -0.26 0.24 0.09 0.00 0.00 178.44 179.22 1xax h MET 105 N 0.00 -0.20 0.00 1.13 2.86 -2.00 -0.27 114.93 116.45 1xax h MET 105 Ca 0.00 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.51 1xax h MET 105 Cb 0.53 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1xax h MET 105 CO 0.00 -0.13 -0.69 0.00 1.06 0.00 0.00 176.91 177.15 1xax h ALA 106 N 0.93 0.83 -0.58 6.32 0.00 -1.97 -3.11 119.26 121.68 1xax h ALA 106 Ca 0.18 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1xax h ALA 106 Cb 0.49 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1xax h ALA 106 CO -0.50 0.86 0.31 1.25 0.00 0.00 0.00 179.25 181.17 1xax h HIS 107 N 0.00 0.58 0.05 0.00 6.17 -1.16 0.28 115.15 121.07 1xax h HIS 107 Ca -0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.09 1xax h HIS 107 Cb 1.24 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 31.00 1xax h HIS 107 CO 0.00 0.29 -0.03 -1.49 0.71 0.00 0.00 177.93 177.41 1xax h TRP 108 N 0.60 -0.07 -0.83 5.26 6.55 -1.16 1.00 115.95 127.31 1xax h TRP 108 Ca 0.25 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 60.19 1xax h TRP 108 Cb 0.13 0.02 -0.06 0.00 -0.86 0.00 0.00 29.16 28.39 1xax h TRP 108 CO -0.09 0.31 0.54 0.00 -1.05 0.00 0.00 178.44 178.15 1xax h ALA 109 N 0.46 1.75 0.13 1.49 0.00 -1.43 0.26 119.26 121.92 1xax h ALA 109 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1xax h ALA 109 Cb 0.40 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xax h ALA 109 CO 0.01 0.07 -0.77 1.25 0.00 0.00 0.00 179.25 179.81 1xax h HIS 110 N 0.75 0.50 -0.39 0.00 -0.00 -0.33 -3.04 115.15 112.64 1xax h HIS 110 Ca 0.39 -0.36 0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1xax h HIS 110 Cb 0.48 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.83 1xax h HIS 110 CO -0.00 1.30 0.13 0.52 -0.00 0.00 0.00 177.93 179.87 1xax h MET 111 N -0.42 0.27 0.13 5.26 2.07 0.17 0.12 114.93 122.52 1xax h MET 111 Ca -0.14 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.47 1xax h MET 111 Cb 1.60 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.27 1xax h MET 111 CO 0.14 0.18 -0.06 -0.39 1.07 0.00 0.00 176.91 177.84 1xax h VAL 112 N 0.28 0.92 -0.34 -2.22 -1.51 -0.64 0.61 116.25 113.34 1xax h VAL 112 Ca 0.18 -0.19 -0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1xax h VAL 112 Cb 0.17 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 1xax h VAL 112 CO -0.19 0.05 0.20 1.62 -1.23 0.00 0.00 177.57 178.02 1xax h VAL 113 N -0.26 1.10 0.03 7.19 3.04 -1.38 0.26 116.25 126.23 1xax h VAL 113 Ca -0.02 -0.23 -0.08 0.00 -1.01 0.00 0.00 66.70 65.36 1xax h VAL 113 Cb 0.21 0.62 0.01 0.00 -2.01 0.00 0.00 31.29 30.12 1xax h VAL 113 CO 0.03 0.10 -0.34 -0.74 -1.01 0.00 0.00 177.57 175.62 1xax h HIS 114 N 0.47 0.28 0.00 3.17 -0.00 -0.44 -2.63 115.15 115.99 1xax h HIS 114 Ca 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1xax h HIS 114 Cb -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 1xax h HIS 114 CO 0.00 1.05 0.00 0.78 -0.00 0.00 0.00 177.93 179.76 1xax h GLY 115 N -0.57 0.00 0.00 5.26 0.00 0.49 -2.89 103.07 105.36 1xax h GLY 115 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xax h GLY 115 CO 0.06 0.00 -0.09 0.23 0.00 0.00 0.00 176.54 176.75 1xax h SER 116 N 0.00 0.00 -0.82 0.19 0.87 -0.55 -3.35 113.55 109.88 1xax h SER 116 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1xax h SER 116 Cb 0.46 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.29 1xax h SER 116 CO 0.00 0.15 0.23 0.25 -0.53 0.00 0.00 176.83 176.93 1xax h LEU 117 N -0.22 0.05 -1.02 2.23 5.85 -1.59 1.46 115.31 122.07 1xax h LEU 117 Ca 0.00 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1xax h LEU 117 Cb 0.09 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.26 1xax h LEU 117 CO 0.00 -0.08 0.64 0.45 -0.34 0.00 0.00 178.44 179.11 1xax h HIS 118 N 0.27 1.15 0.00 1.25 3.86 -1.73 0.43 115.15 120.38 1xax h HIS 118 Ca 0.50 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.65 1xax h HIS 118 Cb 0.93 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1xax h HIS 118 CO -0.25 0.50 -2.04 -0.11 0.86 0.00 0.00 177.93 176.90 1xax n LEU 119 N -4.57 0.06 -0.01 2.43 7.94 0.00 -4.74 117.00 118.10 1xax n LEU 119 Ca 0.18 0.02 -0.01 0.00 -1.11 0.00 0.00 56.01 55.09 1xax n LEU 119 Cb 0.30 0.12 -0.00 0.00 0.53 0.00 0.00 43.42 44.36 1xax n LEU 119 CO 0.29 0.11 -0.06 -0.11 -1.11 0.00 0.00 177.39 176.52 1xax n LEU 120 N -2.41 0.21 0.00 -1.96 7.94 0.48 -4.95 117.00 116.31 1xax n LEU 120 Ca -0.11 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1xax n LEU 120 Cb 0.72 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1xax n LEU 120 CO 0.45 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.85 1xax n GLY 121 N 1.61 0.70 0.51 -3.96 0.00 0.12 -4.95 105.19 99.22 1xax n GLY 121 Ca -0.01 -0.72 0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.10 -0.34 1.61 4.02 -1.26 -1.51 117.16 119.79 1xax n TYR 122 Ca 0.00 0.11 -0.01 0.00 -0.01 0.00 0.00 57.90 57.98 1xax n TYR 122 Cb 0.00 -0.49 -0.02 0.00 -0.02 0.00 0.00 39.34 38.81 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 -3.60 2.96 0.00 7.72 2.03 -1.26 -4.52 116.55 119.87 1xax n ASP 123 Ca 0.33 -1.84 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1xax n ASP 123 Cb 1.47 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1xax n ASP 123 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1xax n HIS 124 N 1.94 0.00 -4.32 -0.67 -0.00 -0.57 -4.81 115.22 106.80 1xax n HIS 124 Ca 0.05 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.02 1xax n HIS 124 Cb 0.33 -0.33 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 1xax n HIS 124 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1xax s ILE 125 N -2.32 1.74 -0.84 3.57 -4.36 -1.26 -5.01 121.20 112.71 1xax s ILE 125 Ca 0.00 -1.89 0.25 0.00 -0.26 0.00 0.00 60.65 58.75 1xax s ILE 125 Cb 0.00 -1.80 0.04 0.00 1.25 0.00 0.00 42.46 41.96 1xax s ILE 125 CO 0.00 -0.33 1.41 1.21 0.24 0.00 0.00 174.94 177.47 1xax n GLU 126 N 0.32 0.13 -0.00 0.37 2.13 -1.26 -0.08 120.64 122.25 1xax n GLU 126 Ca -0.13 0.04 -0.00 0.00 0.66 0.00 0.00 57.16 57.72 1xax n GLU 126 Cb 0.57 -1.58 -0.00 0.00 0.27 0.00 0.00 31.44 30.70 1xax n GLU 126 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1xax h ASP 127 N 0.00 0.00 0.00 4.31 1.82 -1.98 -3.43 116.42 117.15 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 0.61 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1xax h ASP 127 CO 0.00 0.03 0.00 0.47 -1.61 0.00 0.00 179.24 178.13 1xax n ASP 128 N -2.22 0.00 -0.67 2.28 9.92 -1.26 -4.43 116.55 120.17 1xax n ASP 128 Ca -0.00 0.02 0.51 0.00 -0.53 0.00 0.00 54.79 54.80 1xax n ASP 128 Cb 0.00 -0.15 0.80 0.00 -0.64 0.00 0.00 41.12 41.14 1xax n ASP 128 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1xax h GLU 129 N 0.00 0.00 0.00 -1.24 4.57 -1.84 -1.68 114.58 114.39 1xax h GLU 129 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xax h GLU 129 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xax h GLU 129 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1xax n ALA 130 N -2.86 -0.20 -0.30 2.92 0.00 0.88 0.62 120.51 121.56 1xax n ALA 130 Ca 0.44 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.02 1xax n ALA 130 Cb 1.95 0.04 0.39 0.00 0.00 0.00 0.00 19.45 21.83 1xax n ALA 130 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xax h GLU 131 N 0.00 0.63 0.77 0.00 4.81 -1.60 0.18 114.58 119.37 1xax h GLU 131 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1xax h GLU 131 Cb 0.00 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.25 1xax h GLU 131 CO 0.00 0.42 -0.37 0.93 -0.73 0.00 0.00 179.01 179.26 1xax h GLU 132 N 0.65 -1.00 0.00 1.92 3.07 -1.27 0.35 114.58 118.29 1xax h GLU 132 Ca 0.51 0.07 0.03 0.00 -0.50 0.00 0.00 59.36 59.47 1xax h GLU 132 Cb 0.93 0.23 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 1xax h GLU 132 CO -0.27 -0.67 -0.19 0.52 -1.40 0.00 0.00 179.01 177.00 1xax h MET 133 N -1.10 -0.30 0.30 2.33 2.86 0.71 0.32 114.93 120.05 1xax h MET 133 Ca -0.11 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xax h MET 133 Cb 0.80 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1xax h MET 133 CO 0.17 -0.20 -0.34 0.93 1.06 0.00 0.00 176.91 178.53 1xax h GLU 134 N -0.31 -0.66 0.54 1.72 4.39 -0.70 0.84 114.58 120.40 1xax h GLU 134 Ca 0.06 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1xax h GLU 134 Cb 0.38 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1xax h GLU 134 CO -0.18 -0.44 -0.46 0.77 -1.16 0.00 0.00 179.01 177.54 1xax h SER 135 N -0.68 -1.24 -0.03 1.42 0.02 -0.12 0.17 113.55 113.08 1xax h SER 135 Ca -0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xax h SER 135 Cb 0.64 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1xax h SER 135 CO -0.09 -0.65 0.00 0.17 -1.14 0.00 0.00 176.83 175.12 1xax h LEU 136 N -0.99 -0.01 -0.55 5.07 8.10 -0.32 0.20 115.31 126.80 1xax h LEU 136 Ca -0.06 0.01 0.10 0.00 0.11 0.00 0.00 57.88 58.03 1xax h LEU 136 Cb 0.85 0.01 -0.08 0.00 -0.44 0.00 0.00 40.66 41.00 1xax h LEU 136 CO -0.02 0.00 0.09 -0.08 -4.11 0.00 0.00 178.44 174.32 1xax h GLU 137 N 0.02 0.22 0.00 0.17 4.22 0.82 0.32 114.58 120.33 1xax h GLU 137 Ca 0.02 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1xax h GLU 137 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1xax h GLU 137 CO -0.03 0.14 -0.25 1.15 -2.18 0.00 0.00 179.01 177.85 1xax h THR 138 N 0.22 0.83 0.00 0.32 2.02 -0.30 0.18 112.91 116.18 1xax h THR 138 Ca 0.28 -1.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.21 1xax h THR 138 Cb 0.41 1.60 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1xax h THR 138 CO -0.38 0.25 -0.99 -0.61 0.37 0.00 0.00 175.52 174.15 1xax h GLN 139 N 0.00 0.55 0.15 6.66 5.75 0.27 1.13 115.11 129.62 1xax h GLN 139 Ca -0.00 -0.60 -0.33 0.00 -0.15 0.00 0.00 58.65 57.57 1xax h GLN 139 Cb 0.58 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1xax h GLN 139 CO 0.03 1.22 -1.63 -0.84 -2.65 0.00 0.00 178.83 174.96 1xax h ILE 140 N 0.31 1.06 0.00 2.39 3.07 -0.54 -2.42 117.51 121.38 1xax h ILE 140 Ca -0.10 -2.67 -0.13 0.00 1.55 0.00 0.00 64.86 63.51 1xax h ILE 140 Cb 1.64 2.76 -0.02 0.00 -0.27 0.00 0.00 36.82 40.93 1xax h ILE 140 CO 0.18 0.83 -0.72 0.24 -1.05 0.00 0.00 178.15 177.63 1xax h MET 141 N 0.09 0.00 0.09 0.16 2.86 -0.76 -3.36 114.93 114.00 1xax h MET 141 Ca -0.29 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.10 1xax h MET 141 Cb 2.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.71 1xax h MET 141 CO 0.17 0.95 -1.29 0.37 1.06 0.00 0.00 176.91 178.17 1xax h GLN 142 N -1.00 0.18 -0.89 1.72 4.15 -0.40 -2.52 115.11 116.35 1xax h GLN 142 Ca -0.20 -0.31 0.23 0.00 0.77 0.00 0.00 58.65 59.15 1xax h GLN 142 Cb 1.13 0.11 -0.13 0.00 0.21 0.00 0.00 27.48 28.80 1xax h GLN 142 CO -0.12 1.15 0.31 0.78 -1.93 0.00 0.00 178.83 179.02 1xax h GLY 143 N -0.16 1.46 0.78 2.39 0.00 0.16 -0.63 103.07 107.07 1xax h GLY 143 Ca -0.29 -0.10 -0.19 0.00 0.00 0.00 0.00 47.33 46.75 1xax h GLY 143 CO 0.01 -0.34 -1.61 1.04 0.00 0.00 0.00 176.54 175.64 1xax n LEU 144 N -5.15 0.69 -3.10 3.11 4.32 -1.21 -5.01 117.00 110.65 1xax n LEU 144 Ca 0.22 0.30 -0.07 0.00 -0.02 0.00 0.00 56.01 56.45 1xax n LEU 144 Cb 0.69 0.13 0.03 0.00 -1.62 0.00 0.00 43.42 42.65 1xax n LEU 144 CO 0.09 0.20 0.20 0.61 -1.22 0.00 0.00 177.39 177.26 1xax n GLY 145 N 1.44 -1.17 0.00 -0.72 0.00 -0.25 -5.10 105.19 99.40 1xax n GLY 145 Ca -0.13 0.50 0.04 0.00 0.00 0.00 0.00 46.02 46.43 1xax n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01