#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxa s HIS 4 N 0.00 1.74 -0.02 -0.67 4.02 -1.26 -5.08 115.29 114.03 2vxa s HIS 4 Ca 0.00 1.72 0.02 0.00 1.02 0.00 0.00 55.06 57.81 2vxa s HIS 4 Cb 0.00 -3.43 0.00 0.00 -1.02 0.00 0.00 32.58 28.13 2vxa s HIS 4 CO 0.00 -2.83 -0.06 0.08 1.02 0.00 0.00 174.74 172.95 2vxa s VAL 5 N -2.33 0.54 0.22 -0.90 1.01 -1.26 -5.10 120.40 112.58 2vxa s VAL 5 Ca 0.71 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.56 2vxa s VAL 5 Cb -0.27 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2vxa s VAL 5 CO 0.53 0.17 -0.20 -0.31 0.00 0.00 0.00 175.10 175.29 2vxa s TYR 6 N 0.13 2.35 0.02 5.22 1.51 -1.26 -1.58 117.35 123.74 2vxa s TYR 6 Ca -0.01 -0.33 0.09 0.00 -1.01 0.00 0.00 57.07 55.80 2vxa s TYR 6 Cb -0.06 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2vxa s TYR 6 CO -0.00 0.58 -0.25 0.21 -1.11 0.00 0.00 175.55 174.98 2vxa s LYS 7 N -3.01 1.94 -0.17 -0.62 2.20 -0.28 -4.89 119.74 114.90 2vxa s LYS 7 Ca 0.25 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 2vxa s LYS 7 Cb -0.07 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.23 2vxa s LYS 7 CO 0.13 0.53 -0.17 0.42 -0.36 0.00 0.00 175.35 175.90 2vxa s ILE 8 N -0.76 2.45 0.10 5.43 1.01 -1.26 -1.47 121.20 126.70 2vxa s ILE 8 Ca 0.12 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.01 2vxa s ILE 8 Cb -0.10 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2vxa s ILE 8 CO 0.01 0.52 -0.10 0.68 0.00 0.00 0.00 174.94 176.05 2vxa s VAL 9 N 1.06 3.39 -0.25 2.92 -7.23 -0.60 -4.92 120.40 114.77 2vxa s VAL 9 Ca -0.01 -1.25 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 2vxa s VAL 9 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2vxa s VAL 9 CO -0.05 0.12 0.12 -0.70 -0.31 0.00 0.00 175.10 174.27 2vxa s GLU 10 N -2.20 3.84 0.10 4.82 2.12 -1.26 -1.05 118.70 125.07 2vxa s GLU 10 Ca 0.21 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.21 2vxa s GLU 10 Cb -0.11 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2vxa s GLU 10 CO 0.14 -0.09 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.11 2vxa s LEU 11 N 1.42 2.34 -0.17 2.70 1.43 -0.39 -4.97 118.68 121.03 2vxa s LEU 11 Ca 0.06 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2vxa s LEU 11 Cb -0.15 -0.54 0.03 0.00 0.03 0.00 0.00 46.19 45.56 2vxa s LEU 11 CO 0.06 -0.11 -0.12 0.28 0.23 0.00 0.00 176.35 176.68 2vxa s THR 12 N -1.72 1.60 0.25 5.49 -1.32 -1.26 -0.16 115.64 118.51 2vxa s THR 12 Ca 0.04 -0.81 -0.11 0.00 -1.21 0.00 0.00 61.69 59.60 2vxa s THR 12 Cb -0.07 -1.59 -0.08 0.00 -1.51 0.00 0.00 72.50 69.25 2vxa s THR 12 CO 0.03 0.32 0.59 -0.83 -2.21 0.00 0.00 174.62 172.51 2vxa s GLY 13 N 1.45 2.29 0.12 6.08 0.00 -0.34 -4.90 107.32 112.01 2vxa s GLY 13 Ca 0.02 -0.21 0.10 0.00 0.00 0.00 0.00 44.72 44.63 2vxa s GLY 13 CO -0.10 -0.06 -0.24 -0.45 0.00 0.00 0.00 173.10 172.25 2vxa s SER 14 N -2.35 3.47 -0.23 1.64 0.15 -1.26 -1.50 113.70 113.63 2vxa s SER 14 Ca 0.49 -0.68 -0.26 0.00 0.70 0.00 0.00 55.95 56.20 2vxa s SER 14 Cb -0.11 -0.32 0.09 0.00 -1.71 0.00 0.00 66.02 63.97 2vxa s SER 14 CO 0.20 0.19 0.83 -0.55 1.20 0.00 0.00 173.24 175.11 2vxa s SER 15 N -2.00 -0.62 0.00 5.45 0.15 -0.72 -4.48 113.70 111.49 2vxa s SER 15 Ca 0.15 1.08 0.24 0.00 0.70 0.00 0.00 55.95 58.11 2vxa s SER 15 Cb -0.10 1.05 1.26 0.00 -1.71 0.00 0.00 66.02 66.53 2vxa s SER 15 CO 0.07 -0.28 1.79 -0.81 1.20 0.00 0.00 173.24 175.20 2vxa n PRO 16 N 2.11 0.46 -0.08 5.44 -0.04 -1.26 0.14 135.00 141.77 2vxa n PRO 16 Ca -0.14 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.28 2vxa n PRO 16 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 2vxa n PRO 16 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2vxa n ASN 17 N -1.20 1.40 0.00 3.54 3.02 -1.26 -4.83 115.26 115.92 2vxa n ASN 17 Ca 0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2vxa n ASN 17 Cb 0.16 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.96 2vxa n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vxa n GLY 18 N 2.14 -1.10 0.19 7.41 0.00 -1.26 -4.99 105.19 107.58 2vxa n GLY 18 Ca -0.28 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 2vxa n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2vxa h ILE 19 N 0.00 0.75 -0.55 -0.61 2.04 -1.94 -1.03 117.51 116.18 2vxa h ILE 19 Ca 0.00 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2vxa h ILE 19 Cb 0.00 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2vxa h ILE 19 CO 0.00 0.08 0.25 -0.33 0.00 0.00 0.00 178.15 178.15 2vxa h GLU 20 N -0.58 0.77 -0.32 2.37 3.07 -2.00 -1.75 114.58 116.15 2vxa h GLU 20 Ca -0.04 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.66 2vxa h GLU 20 Cb 0.42 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2vxa h GLU 20 CO 0.07 0.61 -0.05 0.93 -1.40 0.00 0.00 179.01 179.16 2vxa h GLU 21 N 0.77 0.60 -0.34 2.33 3.07 -1.90 -1.06 114.58 118.05 2vxa h GLU 21 Ca 0.19 -0.22 0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2vxa h GLU 21 Cb 0.10 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 27.91 2vxa h GLU 21 CO -0.02 0.77 -0.03 0.00 -1.40 0.00 0.00 179.01 178.33 2vxa h ALA 22 N 0.81 0.28 -0.40 3.43 0.00 -0.57 -0.45 119.26 122.37 2vxa h ALA 22 Ca 0.08 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 2vxa h ALA 22 Cb 0.53 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2vxa h ALA 22 CO 0.03 -0.42 -0.34 -0.24 0.00 0.00 0.00 179.25 178.28 2vxa h VAL 23 N 0.06 1.27 -0.87 0.00 3.04 -1.20 -2.23 116.25 116.33 2vxa h VAL 23 Ca 0.17 -1.51 0.10 0.00 -1.01 0.00 0.00 66.70 64.45 2vxa h VAL 23 Cb 0.24 1.32 -0.08 0.00 -2.01 0.00 0.00 31.29 30.77 2vxa h VAL 23 CO -0.30 0.51 0.51 0.78 -1.01 0.00 0.00 177.57 178.05 2vxa h ASN 24 N 0.76 0.73 -0.83 3.17 -0.26 -0.95 0.65 115.58 118.85 2vxa h ASN 24 Ca 0.07 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2vxa h ASN 24 Cb 0.92 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.05 2vxa h ASN 24 CO 0.09 0.41 0.46 0.78 -1.06 0.00 0.00 177.43 178.11 2vxa h ASN 25 N 0.83 1.03 -0.39 5.81 -0.26 -0.83 0.29 115.58 122.07 2vxa h ASN 25 Ca 0.42 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 56.05 2vxa h ASN 25 Cb 0.39 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 2vxa h ASN 25 CO -0.25 0.82 0.16 0.00 -1.06 0.00 0.00 177.43 177.10 2vxa h ALA 26 N 1.25 0.51 -0.31 -0.83 0.00 -0.68 -1.47 119.26 117.72 2vxa h ALA 26 Ca 0.29 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 2vxa h ALA 26 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2vxa h ALA 26 CO -0.05 0.11 -0.37 0.82 0.00 0.00 0.00 179.25 179.76 2vxa h ILE 27 N 0.49 1.29 0.39 0.00 2.04 -0.57 -1.54 117.51 119.60 2vxa h ILE 27 Ca 0.13 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 2vxa h ILE 27 Cb 0.19 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2vxa h ILE 27 CO -0.01 0.50 -0.35 0.00 0.00 0.00 0.00 178.15 178.29 2vxa h ALA 28 N 0.98 -0.77 -0.09 1.87 0.00 -0.35 -0.64 119.26 120.26 2vxa h ALA 28 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2vxa h ALA 28 Cb 0.91 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2vxa h ALA 28 CO 0.08 -0.97 0.07 0.00 0.00 0.00 0.00 179.25 178.44 2vxa h ARG 29 N -0.75 0.00 -0.14 0.00 2.47 -1.10 -1.04 114.38 113.83 2vxa h ARG 29 Ca -0.03 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.46 2vxa h ARG 29 Cb 0.66 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.00 2vxa h ARG 29 CO -0.04 0.00 -0.81 0.00 0.56 0.00 0.00 179.97 179.68 2vxa h ALA 30 N 1.94 0.29 -0.03 0.04 0.00 -1.06 -3.28 119.26 117.16 2vxa h ALA 30 Ca 0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 2vxa h ALA 30 Cb 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2vxa h ALA 30 CO -0.00 0.68 -0.17 0.78 0.00 0.00 0.00 179.25 180.55 2vxa h GLY 31 N 0.54 0.05 0.97 0.00 0.00 0.20 0.41 103.07 105.24 2vxa h GLY 31 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2vxa h GLY 31 CO 0.17 0.03 0.24 0.83 0.00 0.00 0.00 176.54 177.80 2vxa h GLU 32 N 0.05 0.66 0.01 4.80 5.08 -1.48 -3.36 114.58 120.33 2vxa h GLU 32 Ca 0.01 -0.09 -0.37 0.00 -1.00 0.00 0.00 59.36 57.91 2vxa h GLU 32 Cb 0.33 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 2vxa h GLU 32 CO 0.02 0.54 -2.35 -2.37 -1.00 0.00 0.00 179.01 173.85 2vxa n THR 33 N -4.66 1.47 -3.50 1.13 5.66 -1.04 -5.00 114.28 108.34 2vxa n THR 33 Ca 0.01 -0.73 -0.20 0.00 -3.05 0.00 0.00 64.05 60.08 2vxa n THR 33 Cb 0.10 -0.94 -0.03 0.00 -1.55 0.00 0.00 70.33 67.91 2vxa n THR 33 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2vxa s LEU 34 N -6.02 3.42 0.03 1.09 2.01 0.14 -5.13 118.68 114.23 2vxa s LEU 34 Ca -0.20 -0.71 0.02 0.00 0.01 0.00 0.00 54.13 53.25 2vxa s LEU 34 Cb 0.07 -2.12 -0.02 0.00 0.01 0.00 0.00 46.19 44.13 2vxa s LEU 34 CO 0.74 -0.66 -0.07 0.00 1.01 0.00 0.00 176.35 177.36 2vxa s ARG 35 N -4.15 0.50 -0.74 1.70 1.70 -1.26 -4.49 118.95 112.21 2vxa s ARG 35 Ca 0.49 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 55.14 2vxa s ARG 35 Cb -0.04 -0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.02 2vxa s ARG 35 CO 0.28 0.07 0.62 0.72 -1.08 0.00 0.00 175.30 175.91 2vxa n HIS 36 N 1.88 -1.39 -1.99 5.89 8.25 -1.26 -4.24 115.22 122.36 2vxa n HIS 36 Ca -0.20 0.57 -0.42 0.00 -0.26 0.00 0.00 57.72 57.41 2vxa n HIS 36 Cb 0.56 -3.77 -0.03 0.00 1.12 0.00 0.00 29.99 27.86 2vxa n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2vxa s LEU 37 N -4.64 4.35 -0.13 2.41 1.43 -1.26 -1.61 118.68 119.23 2vxa s LEU 37 Ca 0.06 2.38 -0.07 0.00 -1.03 0.00 0.00 54.13 55.47 2vxa s LEU 37 Cb -0.03 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2vxa s LEU 37 CO 0.44 -0.86 -0.18 0.54 0.23 0.00 0.00 176.35 176.51 2vxa n ARG 38 N 5.77 0.29 -3.87 1.70 5.12 0.21 -4.98 116.66 120.90 2vxa n ARG 38 Ca 0.16 0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 56.11 2vxa n ARG 38 Cb 0.41 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.65 2vxa n ARG 38 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 2vxa s TRP 39 N -2.28 0.21 0.21 -1.55 -2.14 -1.11 -5.01 118.94 107.27 2vxa s TRP 39 Ca -0.19 -0.60 0.02 0.00 2.66 0.00 0.00 56.10 57.99 2vxa s TRP 39 Cb 0.07 -0.02 -0.05 0.00 -3.10 0.00 0.00 33.47 30.37 2vxa s TRP 39 CO 0.24 -0.64 0.02 -0.59 -2.66 0.00 0.00 176.95 173.33 2vxa s PHE 40 N -3.90 1.39 -0.02 1.66 -0.12 -1.26 0.13 117.98 115.87 2vxa s PHE 40 Ca 0.10 -1.03 -0.00 0.00 -0.05 0.00 0.00 56.93 55.94 2vxa s PHE 40 Cb 0.04 -0.80 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 2vxa s PHE 40 CO -0.07 -0.20 0.03 -2.00 -0.05 0.00 0.00 175.22 172.93 2vxa s GLU 41 N -3.93 -0.02 -0.22 1.99 2.12 0.23 -4.96 118.70 113.91 2vxa s GLU 41 Ca 0.29 0.13 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 2vxa s GLU 41 Cb 0.06 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.30 2vxa s GLU 41 CO 0.08 -0.11 1.14 0.08 -0.54 0.00 0.00 175.26 175.91 2vxa s VAL 42 N 0.69 4.48 -0.17 3.70 1.01 -1.26 0.21 120.40 129.07 2vxa s VAL 42 Ca -0.06 1.78 0.19 0.00 0.00 0.00 0.00 61.98 63.89 2vxa s VAL 42 Cb -0.08 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 2vxa s VAL 42 CO -0.02 -0.22 0.94 1.62 0.00 0.00 0.00 175.10 177.42 2vxa h VAL 43 N 5.53 0.31 -1.16 2.92 3.04 -1.40 -3.48 116.25 122.00 2vxa h VAL 43 Ca -0.22 -1.60 0.17 0.00 -1.01 0.00 0.00 66.70 64.04 2vxa h VAL 43 Cb 1.08 1.83 -0.32 0.00 -2.01 0.00 0.00 31.29 31.87 2vxa h VAL 43 CO 0.99 0.17 0.78 -0.62 -1.01 0.00 0.00 177.57 177.88 2vxa s ASP 44 N -5.64 -0.13 -0.14 3.17 2.15 -1.13 -4.99 116.67 109.95 2vxa s ASP 44 Ca -0.02 0.24 0.01 0.00 0.43 0.00 0.00 52.55 53.22 2vxa s ASP 44 Cb 0.09 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 2vxa s ASP 44 CO 0.80 -0.04 -0.18 -0.89 -0.17 0.00 0.00 175.17 174.69 2vxa s THR 45 N 0.25 1.77 0.39 1.71 2.01 -1.26 -0.44 115.64 120.07 2vxa s THR 45 Ca 0.04 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2vxa s THR 45 Cb -0.05 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2vxa s THR 45 CO -0.13 0.49 0.18 0.54 -0.69 0.00 0.00 174.62 175.01 2vxa n ARG 46 N 4.39 0.54 -3.58 4.92 1.74 0.12 -4.99 116.66 119.80 2vxa n ARG 46 Ca -0.19 -3.45 -0.05 0.00 -0.77 0.00 0.00 57.85 53.38 2vxa n ARG 46 Cb 0.51 2.09 -0.02 0.00 -1.02 0.00 0.00 32.46 34.02 2vxa n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2vxa s GLY 47 N -3.49 -0.36 -0.10 -0.13 0.00 -1.26 -0.62 107.32 101.36 2vxa s GLY 47 Ca 0.25 1.23 -0.10 0.00 0.00 0.00 0.00 44.72 46.10 2vxa s GLY 47 CO 0.18 0.39 0.22 -1.58 0.00 0.00 0.00 173.10 172.31 2vxa s HIS 48 N -2.71 3.61 -0.22 1.90 2.46 -0.60 -4.98 115.29 114.75 2vxa s HIS 48 Ca 0.09 0.64 -0.06 0.00 0.47 0.00 0.00 55.06 56.19 2vxa s HIS 48 Cb -0.00 -2.08 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 2vxa s HIS 48 CO -0.06 0.64 0.04 0.42 -2.47 0.00 0.00 174.74 173.32 2vxa s ILE 49 N -0.82 4.24 -0.05 0.89 1.01 -1.26 -1.50 121.20 123.71 2vxa s ILE 49 Ca 0.17 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.66 2vxa s ILE 49 Cb -0.13 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 2vxa s ILE 49 CO 0.06 0.39 -0.19 -0.70 0.00 0.00 0.00 174.94 174.50 2vxa s GLU 50 N 1.23 1.96 7.27 2.79 2.56 0.82 -4.90 118.70 130.42 2vxa s GLU 50 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 54.97 54.35 2vxa s GLU 50 Cb -0.15 -1.68 0.00 0.00 2.00 0.00 0.00 34.13 34.31 2vxa s GLU 50 CO 0.03 0.26 0.00 0.41 -0.56 0.00 0.00 175.26 175.39 2vxa n GLY 51 N 3.15 3.40 1.81 -1.50 0.00 -1.26 -1.71 105.19 109.08 2vxa n GLY 51 Ca -0.18 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 2vxa n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vxa n GLY 52 N 0.00 5.85 3.02 -0.02 0.00 -1.26 -5.01 105.19 107.76 2vxa n GLY 52 Ca 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 2vxa n GLY 52 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2vxa s ARG 53 N -3.55 0.42 -0.00 1.61 1.70 -0.70 -5.12 118.95 113.31 2vxa s ARG 53 Ca 0.52 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 2vxa s ARG 53 Cb 0.43 0.10 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 2vxa s ARG 53 CO 0.01 -0.06 1.41 0.08 -1.08 0.00 0.00 175.30 175.66 2vxa s VAL 54 N -2.15 3.70 -0.27 4.99 1.01 -1.26 -0.13 120.40 126.29 2vxa s VAL 54 Ca -0.09 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.05 2vxa s VAL 54 Cb -0.05 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2vxa s VAL 54 CO -0.03 -0.00 0.29 -0.46 0.00 0.00 0.00 175.10 174.89 2vxa n ASN 55 N 5.40 1.13 -3.76 3.32 6.94 -0.56 -4.87 115.26 122.86 2vxa n ASN 55 Ca 0.13 -0.50 -0.15 0.00 -0.02 0.00 0.00 54.58 54.05 2vxa n ASN 55 Cb 0.44 1.10 -0.16 0.00 -2.36 0.00 0.00 39.78 38.80 2vxa n ASN 55 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2vxa s HIS 56 N -1.96 -0.02 -0.20 -2.53 3.76 -1.21 -4.32 115.29 108.82 2vxa s HIS 56 Ca 0.01 0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 55.04 2vxa s HIS 56 Cb 0.06 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 2vxa s HIS 56 CO 0.32 -0.12 0.23 -1.58 -0.85 0.00 0.00 174.74 172.74 2vxa s TRP 57 N 1.18 3.40 -0.29 1.40 0.52 0.12 -1.56 118.94 123.71 2vxa s TRP 57 Ca -0.08 0.43 0.03 0.00 0.02 0.00 0.00 56.10 56.50 2vxa s TRP 57 Cb -0.13 -2.30 0.08 0.00 -1.15 0.00 0.00 33.47 29.98 2vxa s TRP 57 CO -0.04 0.17 -0.02 -0.65 0.02 0.00 0.00 176.95 176.44 2vxa s GLN 58 N 0.71 1.72 -0.20 4.98 -0.21 0.21 -1.75 119.66 125.11 2vxa s GLN 58 Ca 0.12 -1.50 -0.05 0.00 0.02 0.00 0.00 55.36 53.95 2vxa s GLN 58 Cb -0.13 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 30.94 2vxa s GLN 58 CO 0.03 -0.76 0.00 0.08 -2.12 0.00 0.00 175.29 172.52 2vxa s VAL 59 N 1.10 3.97 -0.06 1.09 1.01 -0.56 0.15 120.40 127.10 2vxa s VAL 59 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2vxa s VAL 59 Cb -0.19 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2vxa s VAL 59 CO -0.08 0.43 0.11 0.28 0.00 0.00 0.00 175.10 175.84 2vxa s THR 60 N 1.02 5.07 -0.04 3.92 -1.32 0.41 -1.20 115.64 123.50 2vxa s THR 60 Ca 0.02 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.28 2vxa s THR 60 Cb -0.14 -3.27 0.02 0.00 -1.51 0.00 0.00 72.50 67.59 2vxa s THR 60 CO 0.02 0.47 0.22 0.54 -2.21 0.00 0.00 174.62 173.65 2vxa s VAL 61 N -1.12 0.04 -0.16 5.08 0.11 0.77 -0.99 120.40 124.13 2vxa s VAL 61 Ca 0.20 -0.34 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2vxa s VAL 61 Cb -0.12 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2vxa s VAL 61 CO 0.10 -0.19 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.12 2vxa s LYS 62 N -0.70 3.71 -0.16 1.54 1.02 0.13 -1.27 119.74 124.02 2vxa s LYS 62 Ca -0.08 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 55.41 2vxa s LYS 62 Cb -0.04 -2.95 -0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2vxa s LYS 62 CO 0.02 0.25 -0.14 0.08 -0.92 0.00 0.00 175.35 174.63 2vxa s VAL 63 N 0.36 2.70 -0.14 3.17 1.01 -0.21 -0.60 120.40 126.68 2vxa s VAL 63 Ca -0.03 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2vxa s VAL 63 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2vxa s VAL 63 CO 0.03 0.51 0.14 -0.83 0.00 0.00 0.00 175.10 174.95 2vxa s GLY 64 N 0.90 2.13 -0.04 4.51 0.00 0.12 -1.56 107.32 113.37 2vxa s GLY 64 Ca -0.04 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 43.90 2vxa s GLY 64 CO -0.01 -0.19 0.31 -0.11 0.00 0.00 0.00 173.10 173.09 2vxa s PHE 65 N -0.56 -0.22 0.10 1.90 -0.71 -0.54 -0.62 117.98 117.33 2vxa s PHE 65 Ca 0.13 0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 2vxa s PHE 65 Cb -0.12 0.10 -0.06 0.00 -1.21 0.00 0.00 43.02 41.73 2vxa s PHE 65 CO 0.02 -0.33 1.12 0.99 -1.34 0.00 0.00 175.22 175.67 2vxa s THR 66 N -0.97 4.11 -0.12 -4.49 2.01 -0.63 -1.13 115.64 114.42 2vxa s THR 66 Ca -0.10 1.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.35 2vxa s THR 66 Cb -0.05 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2vxa s THR 66 CO 0.03 0.20 0.49 -0.76 -0.69 0.00 0.00 174.62 173.89 2vxa s LEU 67 N 0.43 4.26 0.00 4.42 1.43 -0.62 -4.74 118.68 123.87 2vxa s LEU 67 Ca 0.53 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2vxa s LEU 67 Cb -0.28 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2vxa s LEU 67 CO 0.31 -0.03 0.00 -1.84 0.23 0.00 0.00 176.35 175.03 2vxa n GLU 68 N 3.80 0.00 0.00 1.70 -0.00 -1.26 -4.46 120.64 120.42 2vxa n GLU 68 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 2vxa n GLU 68 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 2vxa n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54