#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxa n HIS 4 N 0.00 1.20 -4.98 1.24 1.44 -1.26 -5.09 115.22 107.78 2vxa n HIS 4 Ca 0.00 0.66 -0.27 0.00 -2.01 0.00 0.00 57.72 56.09 2vxa n HIS 4 Cb 0.00 -2.24 -0.16 0.00 0.12 0.00 0.00 29.99 27.71 2vxa n HIS 4 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2vxa s VAL 5 N -1.14 1.61 0.11 0.61 1.01 -1.26 -5.10 120.40 116.24 2vxa s VAL 5 Ca 0.60 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.83 2vxa s VAL 5 Cb -0.65 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2vxa s VAL 5 CO 0.59 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.63 2vxa s TYR 6 N -0.21 2.47 -0.07 5.22 1.51 -1.26 -1.53 117.35 123.48 2vxa s TYR 6 Ca 0.01 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 2vxa s TYR 6 Cb -0.10 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 2vxa s TYR 6 CO 0.01 0.34 -0.09 0.21 -1.11 0.00 0.00 175.55 174.91 2vxa s LYS 7 N -1.97 2.73 -0.25 -0.62 2.20 -0.20 -4.92 119.74 116.71 2vxa s LYS 7 Ca 0.16 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2vxa s LYS 7 Cb -0.10 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2vxa s LYS 7 CO 0.08 0.62 -0.05 0.42 -0.36 0.00 0.00 175.35 176.07 2vxa s ILE 8 N -0.71 3.05 0.14 5.43 1.01 -1.26 -1.20 121.20 127.66 2vxa s ILE 8 Ca 0.11 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2vxa s ILE 8 Cb -0.11 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2vxa s ILE 8 CO 0.01 0.23 0.03 0.68 0.00 0.00 0.00 174.94 175.90 2vxa s VAL 9 N 1.37 4.01 -0.23 2.92 -7.23 -0.62 -4.91 120.40 115.71 2vxa s VAL 9 Ca 0.02 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.93 2vxa s VAL 9 Cb -0.16 -2.98 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 2vxa s VAL 9 CO -0.04 -0.03 0.06 -0.70 -0.31 0.00 0.00 175.10 174.08 2vxa s GLU 10 N -2.75 3.69 0.08 4.82 2.12 -1.26 -0.81 118.70 124.59 2vxa s GLU 10 Ca 0.28 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 55.18 2vxa s GLU 10 Cb -0.10 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 2vxa s GLU 10 CO 0.20 -0.10 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.18 2vxa s LEU 11 N 1.37 2.32 -0.18 2.70 1.43 -0.15 -4.97 118.68 121.21 2vxa s LEU 11 Ca 0.05 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2vxa s LEU 11 Cb -0.15 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.67 2vxa s LEU 11 CO 0.03 -0.15 -0.17 0.28 0.23 0.00 0.00 176.35 176.58 2vxa s THR 12 N -1.69 1.89 0.32 5.49 -1.32 -1.26 0.26 115.64 119.32 2vxa s THR 12 Ca 0.00 -0.91 -0.10 0.00 -1.21 0.00 0.00 61.69 59.47 2vxa s THR 12 Cb -0.08 -1.77 -0.07 0.00 -1.51 0.00 0.00 72.50 69.08 2vxa s THR 12 CO 0.02 0.43 0.67 -0.83 -2.21 0.00 0.00 174.62 172.70 2vxa s GLY 13 N 1.34 2.11 0.08 6.08 0.00 0.06 -4.89 107.32 112.10 2vxa s GLY 13 Ca 0.03 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 44.61 2vxa s GLY 13 CO -0.11 -0.06 -0.22 -0.45 0.00 0.00 0.00 173.10 172.26 2vxa s SER 14 N -2.73 2.63 -0.28 1.64 0.15 -1.25 -1.56 113.70 112.30 2vxa s SER 14 Ca 0.50 -0.62 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 2vxa s SER 14 Cb -0.11 -0.18 0.10 0.00 -1.71 0.00 0.00 66.02 64.12 2vxa s SER 14 CO 0.25 0.13 0.88 -0.55 1.20 0.00 0.00 173.24 175.14 2vxa s SER 15 N -1.58 -0.60 0.00 5.45 0.15 -0.83 -4.50 113.70 111.79 2vxa s SER 15 Ca 0.08 1.15 0.27 0.00 0.70 0.00 0.00 55.95 58.14 2vxa s SER 15 Cb -0.09 1.17 1.54 0.00 -1.71 0.00 0.00 66.02 66.92 2vxa s SER 15 CO 0.03 -0.20 1.94 -0.81 1.20 0.00 0.00 173.24 175.41 2vxa n PRO 16 N 2.52 0.73 -0.07 5.44 -0.04 -1.26 -0.68 135.00 141.64 2vxa n PRO 16 Ca -0.13 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.27 2vxa n PRO 16 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.07 1.08 0.00 3.54 3.02 -1.26 -4.83 115.26 115.73 2vxa n ASN 17 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2vxa n ASN 17 Cb 0.12 0.97 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 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 1.97 -0.41 0.11 7.41 0.00 -1.26 -4.99 105.19 108.03 2vxa n GLY 18 Ca -0.24 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 1.04 -0.98 -0.61 2.04 -1.95 -1.92 117.51 115.13 2vxa h ILE 19 Ca 0.00 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 64.71 2vxa h ILE 19 Cb 0.00 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 2vxa h ILE 19 CO 0.00 0.26 0.64 -0.33 0.00 0.00 0.00 178.15 178.72 2vxa h GLU 20 N -0.78 1.15 -0.43 2.37 3.07 -2.00 -1.64 114.58 116.32 2vxa h GLU 20 Ca -0.02 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.67 2vxa h GLU 20 Cb 0.55 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2vxa h GLU 20 CO 0.03 0.76 -0.12 0.93 -1.40 0.00 0.00 179.01 179.21 2vxa h GLU 21 N 1.18 0.85 -0.34 2.33 3.07 -1.94 -0.96 114.58 118.77 2vxa h GLU 21 Ca 0.41 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 2vxa h GLU 21 Cb 0.10 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 2vxa h GLU 21 CO -0.14 0.97 0.16 0.00 -1.40 0.00 0.00 179.01 178.59 2vxa h ALA 22 N 0.86 0.42 -0.38 3.43 0.00 -0.60 -0.35 119.26 122.64 2vxa h ALA 22 Ca 0.11 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2vxa h ALA 22 Cb 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2vxa h ALA 22 CO 0.05 -0.22 -0.28 -0.39 0.00 0.00 0.00 179.25 178.41 2vxa h VAL 23 N 0.34 1.28 -0.74 0.00 -1.51 -1.17 -2.45 116.25 112.00 2vxa h VAL 23 Ca 0.15 -1.43 0.05 0.00 -1.23 0.00 0.00 66.70 64.24 2vxa h VAL 23 Cb 0.07 1.29 -0.05 0.00 -2.13 0.00 0.00 31.29 30.46 2vxa h VAL 23 CO -0.11 0.47 0.44 0.78 -1.23 0.00 0.00 177.57 177.93 2vxa h ASN 24 N 0.68 0.70 -0.75 4.19 -0.26 -0.83 -0.27 115.58 119.04 2vxa h ASN 24 Ca 0.08 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2vxa h ASN 24 Cb 0.82 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.91 2vxa h ASN 24 CO 0.07 0.46 0.49 0.78 -1.06 0.00 0.00 177.43 178.17 2vxa h ASN 25 N 0.83 0.84 -0.57 5.81 -0.26 -0.86 0.22 115.58 121.60 2vxa h ASN 25 Ca 0.32 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.04 2vxa h ASN 25 Cb 0.13 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.15 2vxa h ASN 25 CO -0.15 0.61 0.34 0.00 -1.06 0.00 0.00 177.43 177.16 2vxa h ALA 26 N 1.28 0.72 -0.18 -0.83 0.00 -0.89 -1.52 119.26 117.84 2vxa h ALA 26 Ca 0.28 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 2vxa h ALA 26 Cb -0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2vxa h ALA 26 CO -0.07 0.20 -0.64 0.82 0.00 0.00 0.00 179.25 179.57 2vxa h ILE 27 N 0.76 1.31 0.02 0.00 2.04 -0.68 -1.76 117.51 119.20 2vxa h ILE 27 Ca 0.20 -1.89 0.02 0.00 1.00 0.00 0.00 64.86 64.19 2vxa h ILE 27 Cb -0.02 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 2vxa h ILE 27 CO -0.04 0.59 -0.14 0.00 0.00 0.00 0.00 178.15 178.57 2vxa h ALA 28 N 0.81 -0.17 0.00 1.87 0.00 -0.50 -0.29 119.26 120.98 2vxa h ALA 28 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2vxa h ALA 28 Cb 1.22 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2vxa h ALA 28 CO 0.13 -0.63 -0.18 0.00 0.00 0.00 0.00 179.25 178.56 2vxa h ARG 29 N -0.24 0.00 -0.08 0.00 2.47 -1.15 -1.79 114.38 113.58 2vxa h ARG 29 Ca 0.04 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.55 2vxa h ARG 29 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2vxa h ARG 29 CO -0.12 0.18 -0.81 0.00 0.56 0.00 0.00 179.97 179.79 2vxa h ALA 30 N 1.82 0.43 -0.02 0.04 0.00 -1.11 -3.28 119.26 117.14 2vxa h ALA 30 Ca -0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 2vxa h ALA 30 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2vxa h ALA 30 CO 0.02 0.74 -0.28 0.78 0.00 0.00 0.00 179.25 180.52 2vxa h GLY 31 N 0.98 0.03 0.98 0.00 0.00 -0.20 0.35 103.07 105.21 2vxa h GLY 31 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2vxa h GLY 31 CO 0.15 0.02 0.25 0.83 0.00 0.00 0.00 176.54 177.78 2vxa h GLU 32 N 0.02 0.73 0.00 4.80 5.08 -1.50 -3.37 114.58 120.34 2vxa h GLU 32 Ca 0.00 -0.11 -0.30 0.00 -1.00 0.00 0.00 59.36 57.95 2vxa h GLU 32 Cb 0.51 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2vxa h GLU 32 CO 0.04 0.60 -2.18 -2.37 -1.00 0.00 0.00 179.01 174.10 2vxa n THR 33 N -4.61 1.14 -3.56 1.13 5.66 -1.05 -5.00 114.28 107.99 2vxa n THR 33 Ca 0.02 -0.73 -0.22 0.00 -3.05 0.00 0.00 64.05 60.07 2vxa n THR 33 Cb 0.11 -0.50 -0.01 0.00 -1.55 0.00 0.00 70.33 68.38 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 -5.24 3.16 0.01 1.09 2.01 0.12 -5.13 118.68 114.71 2vxa s LEU 34 Ca -0.09 -0.89 0.00 0.00 0.01 0.00 0.00 54.13 53.16 2vxa s LEU 34 Cb 0.06 -1.77 -0.01 0.00 0.01 0.00 0.00 46.19 44.48 2vxa s LEU 34 CO 0.72 -0.88 -0.02 0.00 1.01 0.00 0.00 176.35 177.18 2vxa s ARG 35 N -4.26 0.19 -0.58 1.70 1.70 -1.26 -4.56 118.95 111.88 2vxa s ARG 35 Ca 0.46 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 55.39 2vxa s ARG 35 Cb -0.03 0.02 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 2vxa s ARG 35 CO 0.28 -0.01 0.49 0.72 -1.08 0.00 0.00 175.30 175.69 2vxa n HIS 36 N 2.33 -1.10 -2.05 5.89 8.25 -1.26 -4.28 115.22 122.99 2vxa n HIS 36 Ca -0.18 0.45 -0.42 0.00 -0.26 0.00 0.00 57.72 57.31 2vxa n HIS 36 Cb 0.57 -3.31 -0.03 0.00 1.12 0.00 0.00 29.99 28.34 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 -4.02 4.34 -0.14 2.41 1.43 -1.26 -1.74 118.68 119.70 2vxa s LEU 37 Ca 0.07 2.30 -0.06 0.00 -1.03 0.00 0.00 54.13 55.40 2vxa s LEU 37 Cb -0.03 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 2vxa s LEU 37 CO 0.34 -0.84 -0.18 0.54 0.23 0.00 0.00 176.35 176.45 2vxa n ARG 38 N 5.86 0.31 -3.96 1.70 5.12 0.33 -4.98 116.66 121.04 2vxa n ARG 38 Ca 0.15 0.13 -0.10 0.00 -1.93 0.00 0.00 57.85 56.10 2vxa n ARG 38 Cb 0.42 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 30.62 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 -2.26 0.39 0.08 -1.55 -2.14 -1.08 -5.01 118.94 107.36 2vxa s TRP 39 Ca -0.20 -0.75 -0.03 0.00 2.66 0.00 0.00 56.10 57.79 2vxa s TRP 39 Cb 0.07 -0.02 -0.03 0.00 -3.10 0.00 0.00 33.47 30.39 2vxa s TRP 39 CO 0.26 -0.76 0.04 -0.59 -2.66 0.00 0.00 176.95 173.24 2vxa s PHE 40 N -3.97 0.49 -0.01 1.66 -0.12 -1.26 -0.36 117.98 114.40 2vxa s PHE 40 Ca 0.18 -0.98 0.01 0.00 -0.05 0.00 0.00 56.93 56.09 2vxa s PHE 40 Cb 0.03 -0.32 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 2vxa s PHE 40 CO 0.01 -0.45 -0.03 -2.00 -0.05 0.00 0.00 175.22 172.70 2vxa s GLU 41 N -3.93 0.35 -0.21 1.99 2.12 -0.10 -4.97 118.70 113.95 2vxa s GLU 41 Ca 0.10 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 2vxa s GLU 41 Cb 0.07 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.06 2vxa s GLU 41 CO -0.08 0.01 1.14 0.08 -0.54 0.00 0.00 175.26 175.87 2vxa s VAL 42 N 0.31 4.49 -0.51 3.70 1.01 -1.26 0.40 120.40 128.53 2vxa s VAL 42 Ca -0.03 1.79 0.23 0.00 0.00 0.00 0.00 61.98 63.97 2vxa s VAL 42 Cb -0.06 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 2vxa s VAL 42 CO -0.01 -0.19 1.06 0.55 0.00 0.00 0.00 175.10 176.52 2vxa n VAL 43 N 5.40 0.28 0.00 2.92 3.14 -0.08 -4.94 118.33 125.05 2vxa n VAL 43 Ca 0.13 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2vxa n VAL 43 Cb 0.46 0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 2vxa n VAL 43 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2vxa n ASP 44 N -2.15 0.00 -4.04 6.55 2.03 -1.17 -5.00 116.55 112.77 2vxa n ASP 44 Ca 0.01 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.02 2vxa n ASP 44 Cb 0.47 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.70 2vxa n ASP 44 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2vxa s THR 45 N -0.45 1.67 0.33 5.18 2.01 -1.26 -0.91 115.64 122.21 2vxa s THR 45 Ca 0.00 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2vxa s THR 45 Cb 0.00 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2vxa s THR 45 CO 0.00 0.45 0.09 0.54 -0.69 0.00 0.00 174.62 175.01 2vxa n ARG 46 N 4.74 0.74 -3.61 4.92 1.74 0.12 -4.99 116.66 120.31 2vxa n ARG 46 Ca -0.17 -2.68 -0.03 0.00 -0.77 0.00 0.00 57.85 54.20 2vxa n ARG 46 Cb 0.50 1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 33.24 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 -2.96 -0.34 -0.11 -0.13 0.00 -1.26 -0.77 107.32 101.75 2vxa s GLY 47 Ca 0.13 1.17 -0.05 0.00 0.00 0.00 0.00 44.72 45.97 2vxa s GLY 47 CO 0.09 0.35 0.09 -1.58 0.00 0.00 0.00 173.10 172.05 2vxa s HIS 48 N -2.53 3.43 -0.19 1.90 2.46 -0.37 -4.97 115.29 115.01 2vxa s HIS 48 Ca 0.11 0.40 -0.04 0.00 0.47 0.00 0.00 55.06 56.00 2vxa s HIS 48 Cb 0.01 -1.88 -0.02 0.00 -0.13 0.00 0.00 32.58 30.56 2vxa s HIS 48 CO -0.04 0.63 -0.04 0.42 -2.47 0.00 0.00 174.74 173.24 2vxa s ILE 49 N -0.97 3.59 -0.05 0.89 1.01 -1.26 -1.53 121.20 122.87 2vxa s ILE 49 Ca 0.14 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.39 2vxa s ILE 49 Cb -0.12 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2vxa s ILE 49 CO 0.03 0.45 -0.14 -0.70 0.00 0.00 0.00 174.94 174.58 2vxa s GLU 50 N 0.97 1.67 7.13 2.79 2.56 0.17 -4.88 118.70 129.11 2vxa s GLU 50 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.97 54.48 2vxa s GLU 50 Cb -0.15 -1.42 0.00 0.00 2.00 0.00 0.00 34.13 34.57 2vxa s GLU 50 CO 0.01 0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.25 2vxa n GLY 51 N 3.46 3.02 1.76 -1.50 0.00 -1.26 -1.69 105.19 108.98 2vxa n GLY 51 Ca -0.20 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 5.88 3.02 -0.02 0.00 -1.26 -5.01 105.19 107.79 2vxa n GLY 52 Ca 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.53 0.40 -0.11 1.61 1.70 -0.68 -5.12 118.95 113.23 2vxa s ARG 53 Ca 0.51 -0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 54.77 2vxa s ARG 53 Cb 0.42 -0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2vxa s ARG 53 CO 0.01 -0.02 1.59 0.08 -1.08 0.00 0.00 175.30 175.87 2vxa s VAL 54 N -1.63 3.72 -0.34 4.99 1.01 -1.26 0.45 120.40 127.34 2vxa s VAL 54 Ca -0.12 0.86 0.15 0.00 0.00 0.00 0.00 61.98 62.87 2vxa s VAL 54 Cb -0.09 -3.59 -0.21 0.00 0.00 0.00 0.00 36.38 32.50 2vxa s VAL 54 CO -0.01 -0.12 0.48 -0.46 0.00 0.00 0.00 175.10 174.99 2vxa n ASN 55 N 7.33 1.10 -3.71 3.32 6.94 -0.59 -4.89 115.26 124.77 2vxa n ASN 55 Ca 0.17 -0.40 -0.18 0.00 -0.02 0.00 0.00 54.58 54.16 2vxa n ASN 55 Cb 0.44 1.38 -0.17 0.00 -2.36 0.00 0.00 39.78 39.07 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 -2.78 0.03 -0.05 -2.53 3.76 -1.22 -4.28 115.29 108.23 2vxa s HIS 56 Ca -0.00 0.24 -0.22 0.00 -0.15 0.00 0.00 55.06 54.92 2vxa s HIS 56 Cb 0.11 -0.37 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 2vxa s HIS 56 CO 0.64 -0.16 0.65 -1.58 -0.85 0.00 0.00 174.74 173.44 2vxa s TRP 57 N 1.76 3.61 -0.26 1.40 0.52 0.14 -1.24 118.94 124.87 2vxa s TRP 57 Ca -0.00 1.21 0.02 0.00 0.02 0.00 0.00 56.10 57.34 2vxa s TRP 57 Cb -0.12 -2.73 0.07 0.00 -1.15 0.00 0.00 33.47 29.54 2vxa s TRP 57 CO -0.03 0.18 -0.04 -0.65 0.02 0.00 0.00 176.95 176.43 2vxa s GLN 58 N 0.45 1.70 -0.20 4.98 -0.21 0.05 -1.97 119.66 124.46 2vxa s GLN 58 Ca 0.35 -1.24 -0.04 0.00 0.02 0.00 0.00 55.36 54.44 2vxa s GLN 58 Cb -0.18 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.09 2vxa s GLN 58 CO 0.17 -0.67 -0.02 0.08 -2.12 0.00 0.00 175.29 172.73 2vxa s VAL 59 N 1.25 3.68 -0.11 1.09 1.01 -0.60 0.11 120.40 126.82 2vxa s VAL 59 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 2vxa s VAL 59 Cb -0.19 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2vxa s VAL 59 CO -0.07 0.43 0.14 0.28 0.00 0.00 0.00 175.10 175.87 2vxa s THR 60 N 1.15 5.44 -0.01 3.92 -1.32 -0.09 -0.76 115.64 123.97 2vxa s THR 60 Ca 0.02 0.16 -0.04 0.00 -1.21 0.00 0.00 61.69 60.62 2vxa s THR 60 Cb -0.15 -3.38 -0.00 0.00 -1.51 0.00 0.00 72.50 67.46 2vxa s THR 60 CO 0.00 0.60 0.08 0.54 -2.21 0.00 0.00 174.62 173.63 2vxa s VAL 61 N -1.05 0.06 -0.24 5.08 0.11 0.14 -0.90 120.40 123.61 2vxa s VAL 61 Ca 0.16 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.65 2vxa s VAL 61 Cb -0.12 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2vxa s VAL 61 CO 0.05 -0.27 0.03 -0.54 -3.33 0.00 0.00 175.10 171.04 2vxa s LYS 62 N -0.88 3.59 -0.21 1.54 1.02 0.16 -0.98 119.74 123.98 2vxa s LYS 62 Ca -0.10 -0.52 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 2vxa s LYS 62 Cb -0.06 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2vxa s LYS 62 CO 0.00 -0.16 0.04 0.08 -0.92 0.00 0.00 175.35 174.39 2vxa s VAL 63 N 1.50 4.30 -0.17 3.17 1.01 0.01 -0.93 120.40 129.28 2vxa s VAL 63 Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 2vxa s VAL 63 Cb -0.15 -2.96 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2vxa s VAL 63 CO 0.02 0.41 0.23 -0.83 0.00 0.00 0.00 175.10 174.92 2vxa s GLY 64 N 1.00 2.15 -0.00 4.51 0.00 0.51 -1.59 107.32 113.91 2vxa s GLY 64 Ca 0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.14 2vxa s GLY 64 CO 0.02 0.27 0.14 -0.11 0.00 0.00 0.00 173.10 173.43 2vxa s PHE 65 N 0.31 0.02 0.13 1.90 -0.71 -0.34 -0.51 117.98 118.77 2vxa s PHE 65 Ca 0.13 -0.07 -0.30 0.00 -1.04 0.00 0.00 56.93 55.65 2vxa s PHE 65 Cb -0.12 -0.04 -0.07 0.00 -1.21 0.00 0.00 43.02 41.58 2vxa s PHE 65 CO 0.02 -0.26 1.25 0.99 -1.34 0.00 0.00 175.22 175.87 2vxa s THR 66 N -1.20 3.64 -0.12 -4.49 2.01 -0.71 -1.04 115.64 113.73 2vxa s THR 66 Ca -0.13 1.26 -0.18 0.00 0.31 0.00 0.00 61.69 62.95 2vxa s THR 66 Cb -0.07 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2vxa s THR 66 CO 0.01 0.15 0.47 -0.76 -0.69 0.00 0.00 174.62 173.80 2vxa s LEU 67 N 0.48 4.28 0.00 4.42 1.43 -0.58 -4.74 118.68 123.96 2vxa s LEU 67 Ca 0.57 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2vxa s LEU 67 Cb -0.33 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2vxa s LEU 67 CO 0.33 0.00 0.00 -1.84 0.23 0.00 0.00 176.35 175.07 2vxa n GLU 68 N 3.67 0.00 0.00 1.70 -0.00 -1.26 -4.49 120.64 120.25 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.96 2vxa n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54