#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 2.17 -0.01 -0.67 -3.43 -1.26 -5.07 115.29 107.02 2vxa s HIS 4 Ca 0.00 1.12 0.04 0.00 -0.80 0.00 0.00 55.06 55.42 2vxa s HIS 4 Cb 0.00 -3.21 -0.01 0.00 -1.43 0.00 0.00 32.58 27.93 2vxa s HIS 4 CO 0.00 -2.70 -0.14 0.08 -2.00 0.00 0.00 174.74 169.99 2vxa s VAL 5 N -2.94 1.07 0.13 -5.38 1.01 -1.26 -5.09 120.40 107.95 2vxa s VAL 5 Ca 0.65 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.12 2vxa s VAL 5 Cb -0.18 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2vxa s VAL 5 CO 0.57 0.28 -0.26 -0.31 0.00 0.00 0.00 175.10 175.38 2vxa s TYR 6 N -0.36 2.25 -0.01 5.22 1.51 -1.26 -1.30 117.35 123.40 2vxa s TYR 6 Ca 0.05 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.75 2vxa s TYR 6 Cb -0.05 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2vxa s TYR 6 CO -0.00 0.33 -0.06 0.21 -1.11 0.00 0.00 175.55 174.92 2vxa s LYS 7 N -2.07 2.62 -0.22 -0.62 2.20 -0.12 -4.91 119.74 116.62 2vxa s LYS 7 Ca 0.13 -0.68 -0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2vxa s LYS 7 Cb -0.10 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 33.70 2vxa s LYS 7 CO 0.06 0.62 -0.12 0.42 -0.36 0.00 0.00 175.35 175.97 2vxa s ILE 8 N -0.98 2.55 0.08 5.43 1.01 -1.26 -1.40 121.20 126.63 2vxa s ILE 8 Ca 0.17 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.86 2vxa s ILE 8 Cb -0.11 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2vxa s ILE 8 CO 0.07 0.33 -0.01 0.68 0.00 0.00 0.00 174.94 176.01 2vxa s VAL 9 N 1.30 4.00 -0.27 2.92 -7.23 -0.47 -4.90 120.40 115.76 2vxa s VAL 9 Ca 0.02 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.14 2vxa s VAL 9 Cb -0.15 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2vxa s VAL 9 CO -0.08 0.15 0.13 -0.70 -0.31 0.00 0.00 175.10 174.29 2vxa s GLU 10 N -2.22 3.80 0.10 4.82 2.12 -1.26 -1.04 118.70 125.02 2vxa s GLU 10 Ca 0.25 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.24 2vxa s GLU 10 Cb -0.12 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 2vxa s GLU 10 CO 0.17 -0.19 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.04 2vxa s LEU 11 N 1.69 2.33 -0.16 2.70 1.43 -0.39 -4.96 118.68 121.31 2vxa s LEU 11 Ca 0.07 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2vxa s LEU 11 Cb -0.16 -0.62 0.02 0.00 0.03 0.00 0.00 46.19 45.47 2vxa s LEU 11 CO 0.07 -0.07 -0.18 0.28 0.23 0.00 0.00 176.35 176.69 2vxa s THR 12 N -1.57 1.84 0.22 5.49 -1.32 -1.26 0.43 115.64 119.47 2vxa s THR 12 Ca 0.04 -0.81 -0.06 0.00 -1.21 0.00 0.00 61.69 59.66 2vxa s THR 12 Cb -0.08 -1.68 -0.06 0.00 -1.51 0.00 0.00 72.50 69.17 2vxa s THR 12 CO 0.03 0.50 0.49 -0.83 -2.21 0.00 0.00 174.62 172.60 2vxa s GLY 13 N 1.34 2.10 0.05 6.08 0.00 -0.12 -4.90 107.32 111.87 2vxa s GLY 13 Ca 0.04 -0.49 0.08 0.00 0.00 0.00 0.00 44.72 44.36 2vxa s GLY 13 CO -0.11 -0.39 -0.24 -0.45 0.00 0.00 0.00 173.10 171.91 2vxa s SER 14 N -2.69 2.86 -0.27 1.64 0.15 -1.25 -1.35 113.70 112.78 2vxa s SER 14 Ca 0.44 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 56.28 2vxa s SER 14 Cb -0.11 -0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.02 2vxa s SER 14 CO 0.25 0.21 0.74 -0.55 1.20 0.00 0.00 173.24 175.09 2vxa s SER 15 N -1.25 -0.76 0.00 5.45 0.15 -0.80 -4.56 113.70 111.94 2vxa s SER 15 Ca 0.10 1.42 0.26 0.00 0.70 0.00 0.00 55.95 58.43 2vxa s SER 15 Cb -0.09 1.42 1.34 0.00 -1.71 0.00 0.00 66.02 66.98 2vxa s SER 15 CO 0.02 -0.24 1.87 -0.81 1.20 0.00 0.00 173.24 175.28 2vxa n PRO 16 N 2.89 0.45 -0.08 5.44 -0.04 -1.26 -0.19 135.00 142.20 2vxa n PRO 16 Ca -0.15 0.04 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 2vxa n PRO 16 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.23 0.26 0.00 3.54 3.02 -1.26 -4.83 115.26 114.76 2vxa n ASN 17 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2vxa n ASN 17 Cb 0.18 1.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 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 1.75 -0.40 0.06 7.41 0.00 -1.26 -4.98 105.19 107.77 2vxa n GLY 18 Ca -0.27 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 1.39 -0.49 -0.61 2.04 -1.94 -1.93 117.51 115.98 2vxa h ILE 19 Ca 0.00 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 2vxa h ILE 19 Cb 0.00 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2vxa h ILE 19 CO 0.00 0.31 0.07 -0.33 0.00 0.00 0.00 178.15 178.20 2vxa h GLU 20 N -0.53 0.76 -0.44 2.37 3.07 -2.00 -1.65 114.58 116.16 2vxa h GLU 20 Ca -0.00 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.57 2vxa h GLU 20 Cb 0.52 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2vxa h GLU 20 CO 0.00 0.73 -0.20 0.93 -1.40 0.00 0.00 179.01 179.07 2vxa h GLU 21 N 0.73 0.92 -0.71 2.33 3.07 -1.94 -1.53 114.58 117.45 2vxa h GLU 21 Ca 0.16 -0.40 -0.03 0.00 -0.50 0.00 0.00 59.36 58.59 2vxa h GLU 21 Cb 0.34 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 2vxa h GLU 21 CO 0.01 1.05 0.33 0.00 -1.40 0.00 0.00 179.01 179.00 2vxa h ALA 22 N 0.84 0.92 -0.28 3.43 0.00 -0.81 -0.98 119.26 122.38 2vxa h ALA 22 Ca 0.10 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2vxa h ALA 22 Cb 0.77 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2vxa h ALA 22 CO 0.06 0.49 -0.56 -0.24 0.00 0.00 0.00 179.25 179.00 2vxa h VAL 23 N 1.00 1.28 -0.70 0.00 3.04 -1.27 -2.79 116.25 116.81 2vxa h VAL 23 Ca 0.24 -1.75 0.08 0.00 -1.01 0.00 0.00 66.70 64.26 2vxa h VAL 23 Cb 0.13 1.65 -0.06 0.00 -2.01 0.00 0.00 31.29 31.00 2vxa h VAL 23 CO -0.03 0.57 0.37 0.78 -1.01 0.00 0.00 177.57 178.25 2vxa h ASN 24 N 0.65 0.51 -0.97 3.17 -0.26 -1.07 -0.25 115.58 117.35 2vxa h ASN 24 Ca 0.01 0.05 0.05 0.00 -0.56 0.00 0.00 56.30 55.85 2vxa h ASN 24 Cb 1.17 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 38.32 2vxa h ASN 24 CO 0.12 0.31 0.63 0.78 -1.06 0.00 0.00 177.43 178.21 2vxa h ASN 25 N 0.64 1.02 -0.44 5.81 -0.26 -1.14 0.29 115.58 121.52 2vxa h ASN 25 Ca 0.33 -0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.97 2vxa h ASN 25 Cb 0.29 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2vxa h ASN 25 CO -0.23 0.68 -0.12 0.00 -1.06 0.00 0.00 177.43 176.70 2vxa h ALA 26 N 1.46 0.60 -0.12 -0.83 0.00 -0.84 -2.06 119.26 117.48 2vxa h ALA 26 Ca 0.40 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2vxa h ALA 26 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2vxa h ALA 26 CO -0.14 0.50 -0.76 0.82 0.00 0.00 0.00 179.25 179.67 2vxa h ILE 27 N 0.68 1.33 -0.06 0.00 2.04 -0.65 -2.10 117.51 118.75 2vxa h ILE 27 Ca 0.11 -2.06 0.03 0.00 1.00 0.00 0.00 64.86 63.94 2vxa h ILE 27 Cb 0.66 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2vxa h ILE 27 CO 0.05 0.64 -0.11 0.00 0.00 0.00 0.00 178.15 178.72 2vxa h ALA 28 N 0.74 -0.07 -0.17 1.87 0.00 -0.39 -0.15 119.26 121.10 2vxa h ALA 28 Ca -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2vxa h ALA 28 Cb 1.36 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2vxa h ALA 28 CO 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 179.25 178.80 2vxa h ARG 29 N -0.16 0.24 -0.20 0.00 2.47 -1.29 -2.03 114.38 113.41 2vxa h ARG 29 Ca 0.06 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.55 2vxa h ARG 29 Cb 0.25 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2vxa h ARG 29 CO -0.15 0.28 -0.64 0.00 0.56 0.00 0.00 179.97 180.01 2vxa h ALA 30 N 1.76 0.49 -0.12 0.04 0.00 -1.17 -3.23 119.26 117.03 2vxa h ALA 30 Ca 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2vxa h ALA 30 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2vxa h ALA 30 CO 0.00 0.69 -0.13 0.78 0.00 0.00 0.00 179.25 180.60 2vxa h GLY 31 N 0.81 0.19 1.00 0.00 0.00 -0.33 0.41 103.07 105.15 2vxa h GLY 31 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2vxa h GLY 31 CO 0.13 0.11 0.37 0.83 0.00 0.00 0.00 176.54 177.98 2vxa h GLU 32 N 0.17 0.90 0.00 4.80 5.08 -1.45 -3.38 114.58 120.71 2vxa h GLU 32 Ca 0.04 -0.10 -0.32 0.00 -1.00 0.00 0.00 59.36 57.98 2vxa h GLU 32 Cb 0.34 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2vxa h GLU 32 CO 0.02 0.67 -2.19 -2.37 -1.00 0.00 0.00 179.01 174.13 2vxa n THR 33 N -4.55 1.20 -3.32 1.13 5.66 -1.03 -4.99 114.28 108.37 2vxa n THR 33 Ca 0.05 -0.64 -0.19 0.00 -3.05 0.00 0.00 64.05 60.22 2vxa n THR 33 Cb 0.08 -0.78 -0.01 0.00 -1.55 0.00 0.00 70.33 68.06 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 -5.59 3.56 0.03 1.09 2.01 0.14 -5.12 118.68 114.80 2vxa s LEU 34 Ca -0.15 -0.55 0.02 0.00 0.01 0.00 0.00 54.13 53.46 2vxa s LEU 34 Cb 0.06 -2.38 -0.02 0.00 0.01 0.00 0.00 46.19 43.86 2vxa s LEU 34 CO 0.64 -0.67 -0.08 0.00 1.01 0.00 0.00 176.35 177.24 2vxa s ARG 35 N -4.22 0.56 -0.68 1.70 1.70 -1.26 -4.50 118.95 112.24 2vxa s ARG 35 Ca 0.51 -0.60 -0.02 0.00 -0.47 0.00 0.00 55.73 55.14 2vxa s ARG 35 Cb -0.07 -0.43 0.00 0.00 -0.57 0.00 0.00 34.95 33.89 2vxa s ARG 35 CO 0.30 0.10 0.59 0.72 -1.08 0.00 0.00 175.30 175.92 2vxa n HIS 36 N 1.93 -1.36 -1.88 5.89 8.25 -1.26 -4.39 115.22 122.40 2vxa n HIS 36 Ca -0.19 0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 57.37 2vxa n HIS 36 Cb 0.56 -3.43 -0.03 0.00 1.12 0.00 0.00 29.99 28.21 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 -4.37 4.37 -0.06 2.41 1.43 -1.26 -1.72 118.68 119.49 2vxa s LEU 37 Ca 0.15 2.60 -0.04 0.00 -1.03 0.00 0.00 54.13 55.80 2vxa s LEU 37 Cb -0.07 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 2vxa s LEU 37 CO 0.39 -0.90 -0.10 0.54 0.23 0.00 0.00 176.35 176.51 2vxa n ARG 38 N 5.07 0.17 -4.04 1.70 5.12 0.40 -4.98 116.66 120.10 2vxa n ARG 38 Ca 0.16 0.07 -0.10 0.00 -1.93 0.00 0.00 57.85 56.05 2vxa n ARG 38 Cb 0.39 -0.78 -0.08 0.00 -1.16 0.00 0.00 32.46 30.83 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 -2.17 0.61 0.07 -1.55 -2.14 -1.10 -5.00 118.94 107.66 2vxa s TRP 39 Ca -0.11 -0.95 -0.02 0.00 2.66 0.00 0.00 56.10 57.68 2vxa s TRP 39 Cb 0.04 -0.20 -0.04 0.00 -3.10 0.00 0.00 33.47 30.17 2vxa s TRP 39 CO 0.14 -0.69 0.02 -0.59 -2.66 0.00 0.00 176.95 173.16 2vxa s PHE 40 N -4.02 0.55 -0.03 1.66 -0.12 -1.26 0.03 117.98 114.80 2vxa s PHE 40 Ca 0.22 -1.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.07 2vxa s PHE 40 Cb 0.04 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 42.08 2vxa s PHE 40 CO 0.03 -0.43 -0.04 -2.00 -0.05 0.00 0.00 175.22 172.73 2vxa s GLU 41 N -3.94 0.57 -0.10 1.99 2.12 0.46 -4.96 118.70 114.83 2vxa s GLU 41 Ca 0.11 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 2vxa s GLU 41 Cb 0.07 -0.62 -0.03 0.00 0.26 0.00 0.00 34.13 33.82 2vxa s GLU 41 CO -0.07 -0.04 1.27 0.08 -0.54 0.00 0.00 175.26 175.96 2vxa s VAL 42 N 0.63 4.18 -0.23 3.70 1.01 -1.26 0.15 120.40 128.58 2vxa s VAL 42 Ca -0.07 1.47 0.22 0.00 0.00 0.00 0.00 61.98 63.60 2vxa s VAL 42 Cb -0.11 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.18 2vxa s VAL 42 CO -0.00 -0.07 0.83 0.55 0.00 0.00 0.00 175.10 176.41 2vxa n VAL 43 N 5.03 0.31 -3.65 2.92 3.14 0.16 -4.92 118.33 121.32 2vxa n VAL 43 Ca 0.13 -0.47 -0.01 0.00 -2.96 0.00 0.00 64.34 61.03 2vxa n VAL 43 Cb 0.45 -0.10 -0.07 0.00 -1.06 0.00 0.00 33.84 33.06 2vxa n VAL 43 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2vxa s ASP 44 N -4.77 -0.04 -0.12 6.55 2.15 -1.18 -5.00 116.67 114.26 2vxa s ASP 44 Ca -0.02 0.08 0.03 0.00 0.43 0.00 0.00 52.55 53.06 2vxa s ASP 44 Cb 0.12 0.43 0.01 0.00 -0.30 0.00 0.00 42.92 43.19 2vxa s ASP 44 CO 0.84 -0.01 -0.20 -0.89 -0.17 0.00 0.00 175.17 174.74 2vxa s THR 45 N 0.40 1.84 0.29 1.71 2.01 -1.26 -0.84 115.64 119.79 2vxa s THR 45 Ca 0.02 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2vxa s THR 45 Cb -0.04 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 2vxa s THR 45 CO -0.14 0.51 0.22 -0.13 -0.69 0.00 0.00 174.62 174.39 2vxa s ARG 46 N 0.77 1.57 0.03 4.92 0.52 -0.12 -5.00 118.95 121.64 2vxa s ARG 46 Ca -0.10 -1.89 -0.28 0.00 -0.52 0.00 0.00 55.73 52.94 2vxa s ARG 46 Cb -0.16 0.26 0.09 0.00 0.52 0.00 0.00 34.95 35.67 2vxa s ARG 46 CO 0.01 -0.55 1.00 0.20 0.02 0.00 0.00 175.30 175.98 2vxa s GLY 47 N -3.31 -0.35 -0.10 -3.53 0.00 -1.26 -0.05 107.32 98.71 2vxa s GLY 47 Ca 0.40 0.72 -0.05 0.00 0.00 0.00 0.00 44.72 45.78 2vxa s GLY 47 CO 0.22 0.21 0.10 -1.58 0.00 0.00 0.00 173.10 172.04 2vxa s HIS 48 N -3.01 3.44 -0.16 1.90 2.46 -0.72 -4.98 115.29 114.22 2vxa s HIS 48 Ca 0.09 0.40 -0.02 0.00 0.47 0.00 0.00 55.06 56.01 2vxa s HIS 48 Cb -0.00 -1.88 -0.01 0.00 -0.13 0.00 0.00 32.58 30.55 2vxa s HIS 48 CO -0.04 0.64 -0.09 0.42 -2.47 0.00 0.00 174.74 173.20 2vxa s ILE 49 N -1.00 3.26 -0.02 0.89 1.01 -1.26 -1.68 121.20 122.39 2vxa s ILE 49 Ca 0.15 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.27 2vxa s ILE 49 Cb -0.12 -2.41 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 2vxa s ILE 49 CO 0.05 0.49 -0.12 -0.70 0.00 0.00 0.00 174.94 174.66 2vxa s GLU 50 N 0.66 1.14 6.00 2.79 2.56 0.61 -4.91 118.70 127.54 2vxa s GLU 50 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.97 54.49 2vxa s GLU 50 Cb -0.15 -1.06 0.00 0.00 2.00 0.00 0.00 34.13 34.92 2vxa s GLU 50 CO 0.02 0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.35 2vxa n GLY 51 N 3.01 3.35 1.83 -1.50 0.00 -1.26 -0.98 105.19 109.64 2vxa n GLY 51 Ca -0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 6.14 3.06 -0.02 0.00 -1.26 -5.01 105.19 108.10 2vxa n GLY 52 Ca 0.00 -2.41 -0.12 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.56 0.53 -0.07 1.61 1.70 -0.15 -5.12 118.95 113.89 2vxa s ARG 53 Ca 0.50 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 2vxa s ARG 53 Cb 0.41 -0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 2vxa s ARG 53 CO 0.02 0.01 1.53 0.08 -1.08 0.00 0.00 175.30 175.86 2vxa s VAL 54 N -1.86 3.75 -0.22 4.99 1.01 -1.26 -0.28 120.40 126.52 2vxa s VAL 54 Ca -0.07 0.96 0.16 0.00 0.00 0.00 0.00 61.98 63.03 2vxa s VAL 54 Cb -0.07 -3.62 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 2vxa s VAL 54 CO -0.01 -0.07 0.44 -0.46 0.00 0.00 0.00 175.10 175.00 2vxa n ASN 55 N 6.74 1.13 -3.72 3.32 6.94 -0.68 -4.89 115.26 124.10 2vxa n ASN 55 Ca 0.16 -0.24 -0.21 0.00 -0.02 0.00 0.00 54.58 54.27 2vxa n ASN 55 Cb 0.43 1.53 -0.18 0.00 -2.36 0.00 0.00 39.78 39.21 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 -2.95 0.29 -0.13 -2.53 3.76 -1.22 -4.23 115.29 108.29 2vxa s HIS 56 Ca -0.03 0.09 -0.22 0.00 -0.15 0.00 0.00 55.06 54.75 2vxa s HIS 56 Cb 0.11 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 2vxa s HIS 56 CO 0.67 -0.23 0.65 -1.58 -0.85 0.00 0.00 174.74 173.40 2vxa s TRP 57 N 1.98 3.48 -0.32 1.40 0.52 0.73 -1.76 118.94 124.97 2vxa s TRP 57 Ca 0.03 1.08 0.03 0.00 0.02 0.00 0.00 56.10 57.27 2vxa s TRP 57 Cb -0.12 -2.78 0.09 0.00 -1.15 0.00 0.00 33.47 29.51 2vxa s TRP 57 CO -0.04 -0.02 0.02 -0.65 0.02 0.00 0.00 176.95 176.29 2vxa s GLN 58 N 1.28 1.53 -0.27 4.98 -0.21 0.92 -1.90 119.66 125.99 2vxa s GLN 58 Ca 0.33 -1.66 -0.09 0.00 0.02 0.00 0.00 55.36 53.95 2vxa s GLN 58 Cb -0.16 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 2vxa s GLN 58 CO 0.14 -0.87 0.13 0.08 -2.12 0.00 0.00 175.29 172.65 2vxa s VAL 59 N 1.03 4.73 -0.02 1.09 1.01 -0.46 -0.95 120.40 126.84 2vxa s VAL 59 Ca 0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2vxa s VAL 59 Cb -0.19 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2vxa s VAL 59 CO -0.09 0.25 0.32 0.28 0.00 0.00 0.00 175.10 175.85 2vxa s THR 60 N 1.67 5.20 -0.02 3.92 -1.32 -0.02 -0.95 115.64 124.12 2vxa s THR 60 Ca 0.06 0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 61.02 2vxa s THR 60 Cb -0.16 -3.60 0.00 0.00 -1.51 0.00 0.00 72.50 67.23 2vxa s THR 60 CO 0.07 0.51 0.08 0.54 -2.21 0.00 0.00 174.62 173.61 2vxa s VAL 61 N -1.15 0.04 -0.16 5.08 0.11 0.17 -0.66 120.40 123.82 2vxa s VAL 61 Ca 0.24 -0.35 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2vxa s VAL 61 Cb -0.15 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2vxa s VAL 61 CO 0.12 -0.19 0.03 -0.54 -3.33 0.00 0.00 175.10 171.19 2vxa s LYS 62 N -0.60 3.78 -0.11 1.54 1.02 0.12 -1.27 119.74 124.23 2vxa s LYS 62 Ca -0.07 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 55.56 2vxa s LYS 62 Cb -0.04 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 2vxa s LYS 62 CO 0.00 0.32 -0.23 0.08 -0.92 0.00 0.00 175.35 174.60 2vxa s VAL 63 N 0.20 2.12 -0.15 3.17 1.01 -0.21 -0.40 120.40 126.14 2vxa s VAL 63 Ca 0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2vxa s VAL 63 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2vxa s VAL 63 CO 0.01 0.56 0.03 -0.83 0.00 0.00 0.00 175.10 174.87 2vxa s GLY 64 N 0.40 1.86 -0.02 4.51 0.00 0.11 -1.37 107.32 112.80 2vxa s GLY 64 Ca -0.17 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 2vxa s GLY 64 CO 0.08 -0.13 0.16 -0.11 0.00 0.00 0.00 173.10 173.10 2vxa s PHE 65 N 0.04 -0.05 0.15 1.90 -0.71 -0.49 -0.46 117.98 118.37 2vxa s PHE 65 Ca 0.04 0.09 -0.30 0.00 -1.04 0.00 0.00 56.93 55.71 2vxa s PHE 65 Cb -0.13 -0.00 -0.08 0.00 -1.21 0.00 0.00 43.02 41.60 2vxa s PHE 65 CO 0.01 -0.23 1.30 0.99 -1.34 0.00 0.00 175.22 175.95 2vxa s THR 66 N -0.88 3.42 -0.14 -4.49 2.01 -0.70 -0.95 115.64 113.92 2vxa s THR 66 Ca -0.10 1.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.83 2vxa s THR 66 Cb -0.05 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2vxa s THR 66 CO 0.01 0.13 0.45 -0.76 -0.69 0.00 0.00 174.62 173.77 2vxa s LEU 67 N 0.38 4.25 0.00 4.42 1.43 -0.42 -4.75 118.68 123.99 2vxa s LEU 67 Ca 0.59 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2vxa s LEU 67 Cb -0.35 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2vxa s LEU 67 CO 0.34 -0.01 0.00 -1.84 0.23 0.00 0.00 176.35 175.07 2vxa n GLU 68 N 3.82 0.00 0.00 1.70 -0.00 -1.26 -4.48 120.64 120.42 2vxa n GLU 68 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 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