#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 3.15 -0.05 2.11 4.02 -1.26 -5.07 115.29 118.19 2vxa s HIS 4 Ca 0.00 1.60 0.06 0.00 1.02 0.00 0.00 55.06 57.74 2vxa s HIS 4 Cb 0.00 -3.27 -0.01 0.00 -1.02 0.00 0.00 32.58 28.27 2vxa s HIS 4 CO 0.00 -1.02 -0.24 0.08 1.02 0.00 0.00 174.74 174.58 2vxa s VAL 5 N -1.52 2.14 0.13 -0.90 1.01 -1.26 -5.10 120.40 114.90 2vxa s VAL 5 Ca 0.58 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 61.59 2vxa s VAL 5 Cb -0.27 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2vxa s VAL 5 CO 0.34 0.57 -0.13 -0.31 0.00 0.00 0.00 175.10 175.56 2vxa s TYR 6 N -0.28 2.62 0.00 5.22 1.51 -1.26 -1.62 117.35 123.54 2vxa s TYR 6 Ca 0.00 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 2vxa s TYR 6 Cb -0.13 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 2vxa s TYR 6 CO 0.03 0.43 -0.09 0.21 -1.11 0.00 0.00 175.55 175.02 2vxa s LYS 7 N -2.34 2.48 -0.18 -0.62 2.20 -0.21 -4.91 119.74 116.17 2vxa s LYS 7 Ca 0.21 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2vxa s LYS 7 Cb -0.10 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.78 2vxa s LYS 7 CO 0.13 0.60 -0.18 0.42 -0.36 0.00 0.00 175.35 175.96 2vxa s ILE 8 N -0.95 2.30 0.12 5.43 1.01 -1.26 -1.28 121.20 126.57 2vxa s ILE 8 Ca 0.16 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.02 2vxa s ILE 8 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2vxa s ILE 8 CO 0.06 0.52 -0.13 0.68 0.00 0.00 0.00 174.94 176.08 2vxa s VAL 9 N 1.18 3.18 -0.24 2.92 -7.23 -0.52 -4.92 120.40 114.78 2vxa s VAL 9 Ca 0.02 -1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2vxa s VAL 9 Cb -0.14 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2vxa s VAL 9 CO -0.08 0.08 0.05 -0.70 -0.31 0.00 0.00 175.10 174.14 2vxa s GLU 10 N -2.26 3.64 0.06 4.82 2.12 -1.26 -0.84 118.70 124.99 2vxa s GLU 10 Ca 0.21 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.08 2vxa s GLU 10 Cb -0.11 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 2vxa s GLU 10 CO 0.13 -0.14 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.09 2vxa s LEU 11 N 1.45 2.29 -0.15 2.70 1.43 -0.37 -4.97 118.68 121.06 2vxa s LEU 11 Ca 0.05 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2vxa s LEU 11 Cb -0.15 -0.35 0.02 0.00 0.03 0.00 0.00 46.19 45.75 2vxa s LEU 11 CO 0.03 -0.16 -0.14 0.28 0.23 0.00 0.00 176.35 176.59 2vxa s THR 12 N -1.51 1.56 0.14 5.49 -1.32 -1.26 0.15 115.64 118.88 2vxa s THR 12 Ca -0.04 -0.64 -0.07 0.00 -1.21 0.00 0.00 61.69 59.74 2vxa s THR 12 Cb -0.09 -1.47 -0.06 0.00 -1.51 0.00 0.00 72.50 69.37 2vxa s THR 12 CO 0.01 0.44 0.41 -0.83 -2.21 0.00 0.00 174.62 172.45 2vxa s GLY 13 N 1.49 2.27 0.05 6.08 0.00 -0.27 -4.90 107.32 112.04 2vxa s GLY 13 Ca 0.05 -0.46 0.09 0.00 0.00 0.00 0.00 44.72 44.39 2vxa s GLY 13 CO -0.11 -0.34 -0.24 -0.45 0.00 0.00 0.00 173.10 171.96 2vxa s SER 14 N -2.24 2.93 -0.28 1.64 0.15 -1.26 -1.71 113.70 112.93 2vxa s SER 14 Ca 0.40 -0.57 -0.24 0.00 0.70 0.00 0.00 55.95 56.24 2vxa s SER 14 Cb -0.12 -0.26 0.09 0.00 -1.71 0.00 0.00 66.02 64.02 2vxa s SER 14 CO 0.22 0.22 0.83 -0.55 1.20 0.00 0.00 173.24 175.16 2vxa s SER 15 N -1.25 -0.66 0.00 5.45 0.15 -0.83 -4.56 113.70 111.99 2vxa s SER 15 Ca 0.10 1.25 0.22 0.00 0.70 0.00 0.00 55.95 58.22 2vxa s SER 15 Cb -0.10 1.27 1.11 0.00 -1.71 0.00 0.00 66.02 66.59 2vxa s SER 15 CO 0.02 -0.21 1.72 -0.81 1.20 0.00 0.00 173.24 175.16 2vxa n PRO 16 N 2.74 0.30 -0.10 5.44 -0.04 -1.26 -0.44 135.00 141.64 2vxa n PRO 16 Ca -0.14 0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 2vxa n PRO 16 Cb 0.56 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.29 0.46 0.00 3.54 3.02 -1.26 -4.81 115.26 114.92 2vxa n ASN 17 Ca 0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2vxa n ASN 17 Cb 0.18 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 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 1.87 -0.73 0.16 7.41 0.00 -1.26 -4.99 105.19 107.65 2vxa n GLY 18 Ca -0.34 -1.45 -0.12 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 0.80 -0.80 -0.61 2.04 -1.94 -1.86 117.51 115.14 2vxa h ILE 19 Ca 0.00 -0.87 0.09 0.00 1.00 0.00 0.00 64.86 65.09 2vxa h ILE 19 Cb 0.00 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 2vxa h ILE 19 CO 0.00 0.17 0.45 -0.33 0.00 0.00 0.00 178.15 178.44 2vxa h GLU 20 N -0.79 0.74 -0.52 2.37 3.07 -2.00 -1.77 114.58 115.68 2vxa h GLU 20 Ca -0.03 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 2vxa h GLU 20 Cb 0.51 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 2vxa h GLU 20 CO 0.05 0.49 0.04 0.93 -1.40 0.00 0.00 179.01 179.12 2vxa h GLU 21 N 0.76 0.90 -0.46 2.33 3.07 -1.93 -0.97 114.58 118.28 2vxa h GLU 21 Ca 0.39 -0.27 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 2vxa h GLU 21 Cb 0.36 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 2vxa h GLU 21 CO -0.25 0.90 0.24 0.00 -1.40 0.00 0.00 179.01 178.51 2vxa h ALA 22 N 0.96 0.58 -0.34 3.43 0.00 -0.79 -0.71 119.26 122.40 2vxa h ALA 22 Ca 0.15 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2vxa h ALA 22 Cb 0.47 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2vxa h ALA 22 CO 0.02 -0.10 -0.47 -0.24 0.00 0.00 0.00 179.25 178.46 2vxa h VAL 23 N 0.49 1.27 -0.79 0.00 3.04 -1.08 -2.52 116.25 116.66 2vxa h VAL 23 Ca 0.20 -1.65 0.08 0.00 -1.01 0.00 0.00 66.70 64.32 2vxa h VAL 23 Cb 0.08 1.50 -0.07 0.00 -2.01 0.00 0.00 31.29 30.80 2vxa h VAL 23 CO -0.12 0.54 0.45 0.78 -1.01 0.00 0.00 177.57 178.21 2vxa h ASN 24 N 0.72 0.65 -0.75 3.17 -0.26 -1.02 0.98 115.58 119.07 2vxa h ASN 24 Ca 0.04 0.04 0.04 0.00 -0.56 0.00 0.00 56.30 55.86 2vxa h ASN 24 Cb 1.07 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 38.20 2vxa h ASN 24 CO 0.11 0.38 0.46 0.78 -1.06 0.00 0.00 177.43 178.11 2vxa h ASN 25 N 0.77 0.75 -0.58 5.81 -0.26 -0.98 0.27 115.58 121.37 2vxa h ASN 25 Ca 0.37 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.06 2vxa h ASN 25 Cb 0.31 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 2vxa h ASN 25 CO -0.23 0.51 0.15 0.00 -1.06 0.00 0.00 177.43 176.80 2vxa h ALA 26 N 1.33 0.76 -0.08 -0.83 0.00 -0.85 -1.28 119.26 118.32 2vxa h ALA 26 Ca 0.31 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2vxa h ALA 26 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2vxa h ALA 26 CO -0.13 0.46 -0.77 0.82 0.00 0.00 0.00 179.25 179.63 2vxa h ILE 27 N 0.83 1.37 0.32 0.00 2.04 -0.45 -2.13 117.51 119.49 2vxa h ILE 27 Ca 0.18 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.88 2vxa h ILE 27 Cb 0.33 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2vxa h ILE 27 CO 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 178.15 178.51 2vxa h ALA 28 N 0.84 -0.63 -0.01 1.87 0.00 -0.40 -0.86 119.26 120.07 2vxa h ALA 28 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2vxa h ALA 28 Cb 1.36 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2vxa h ALA 28 CO 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 179.25 178.51 2vxa h ARG 29 N -0.63 0.00 -0.08 0.00 2.47 -1.18 -1.78 114.38 113.18 2vxa h ARG 29 Ca -0.02 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.48 2vxa h ARG 29 Cb 0.57 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2vxa h ARG 29 CO -0.04 0.00 -0.82 0.00 0.56 0.00 0.00 179.97 179.67 2vxa h ALA 30 N 1.99 0.20 -0.26 0.04 0.00 -1.22 -3.27 119.26 116.74 2vxa h ALA 30 Ca 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2vxa h ALA 30 Cb 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2vxa h ALA 30 CO -0.00 0.61 0.17 0.78 0.00 0.00 0.00 179.25 180.81 2vxa h GLY 31 N 0.37 0.34 0.97 0.00 0.00 -0.29 0.60 103.07 105.06 2vxa h GLY 31 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2vxa h GLY 31 CO 0.17 0.12 0.25 0.83 0.00 0.00 0.00 176.54 177.90 2vxa h GLU 32 N 0.32 0.68 0.00 4.80 5.08 -1.49 -3.36 114.58 120.61 2vxa h GLU 32 Ca 0.10 -0.09 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 2vxa h GLU 32 Cb 0.01 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 2vxa h GLU 32 CO -0.02 0.56 -2.32 -2.37 -1.00 0.00 0.00 179.01 173.86 2vxa n THR 33 N -4.64 1.32 -3.47 1.13 5.66 -0.99 -5.00 114.28 108.29 2vxa n THR 33 Ca 0.02 -0.81 -0.21 0.00 -3.05 0.00 0.00 64.05 60.00 2vxa n THR 33 Cb 0.10 -0.50 -0.01 0.00 -1.55 0.00 0.00 70.33 68.37 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 -5.42 3.30 0.01 1.09 2.01 0.21 -5.12 118.68 114.75 2vxa s LEU 34 Ca -0.10 -0.78 0.01 0.00 0.01 0.00 0.00 54.13 53.27 2vxa s LEU 34 Cb 0.06 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.27 2vxa s LEU 34 CO 0.78 -0.81 -0.03 0.00 1.01 0.00 0.00 176.35 177.30 2vxa s ARG 35 N -4.25 0.28 -0.67 1.70 1.70 -1.26 -4.53 118.95 111.92 2vxa s ARG 35 Ca 0.49 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 55.35 2vxa s ARG 35 Cb -0.04 -0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 2vxa s ARG 35 CO 0.29 0.01 0.56 0.72 -1.08 0.00 0.00 175.30 175.80 2vxa n HIS 36 N 2.22 -1.27 -2.05 5.89 8.25 -1.26 -4.31 115.22 122.70 2vxa n HIS 36 Ca -0.18 0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 57.37 2vxa n HIS 36 Cb 0.57 -3.57 -0.03 0.00 1.12 0.00 0.00 29.99 28.08 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 4.33 -0.14 2.41 1.43 -1.26 -1.69 118.68 119.39 2vxa s LEU 37 Ca 0.07 2.26 -0.07 0.00 -1.03 0.00 0.00 54.13 55.36 2vxa s LEU 37 Cb -0.03 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2vxa s LEU 37 CO 0.40 -0.86 -0.18 0.54 0.23 0.00 0.00 176.35 176.47 2vxa n ARG 38 N 6.32 0.29 -4.05 1.70 5.12 0.13 -4.99 116.66 121.19 2vxa n ARG 38 Ca 0.16 0.13 -0.10 0.00 -1.93 0.00 0.00 57.85 56.11 2vxa n ARG 38 Cb 0.42 -0.99 -0.08 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 -2.26 0.62 0.10 -1.55 -2.14 -1.08 -5.02 118.94 107.61 2vxa s TRP 39 Ca -0.19 -0.96 -0.00 0.00 2.66 0.00 0.00 56.10 57.60 2vxa s TRP 39 Cb 0.07 -0.21 -0.04 0.00 -3.10 0.00 0.00 33.47 30.19 2vxa s TRP 39 CO 0.24 -0.69 -0.01 -0.59 -2.66 0.00 0.00 176.95 173.24 2vxa s PHE 40 N -4.02 0.77 -0.03 1.66 -0.12 -1.26 -0.11 117.98 114.88 2vxa s PHE 40 Ca 0.23 -1.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.04 2vxa s PHE 40 Cb 0.04 -0.48 0.02 0.00 -0.63 0.00 0.00 43.02 41.98 2vxa s PHE 40 CO 0.03 -0.34 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.84 2vxa s GLU 41 N -3.93 0.42 -0.21 1.99 2.12 0.67 -4.95 118.70 114.80 2vxa s GLU 41 Ca 0.14 -0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 2vxa s GLU 41 Cb 0.07 -0.53 -0.00 0.00 0.26 0.00 0.00 34.13 33.93 2vxa s GLU 41 CO -0.04 -0.08 1.18 0.08 -0.54 0.00 0.00 175.26 175.86 2vxa s VAL 42 N 0.78 4.41 -0.29 3.70 1.01 -1.26 0.22 120.40 128.98 2vxa s VAL 42 Ca -0.08 1.69 0.23 0.00 0.00 0.00 0.00 61.98 63.81 2vxa s VAL 42 Cb -0.12 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2vxa s VAL 42 CO -0.01 -0.21 1.00 0.55 0.00 0.00 0.00 175.10 176.43 2vxa n VAL 43 N 5.48 0.48 0.00 2.92 3.14 0.51 -4.94 118.33 125.92 2vxa n VAL 43 Ca 0.13 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2vxa n VAL 43 Cb 0.46 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 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 -2.51 0.00 -4.08 6.55 2.03 -1.17 -4.99 116.55 112.37 2vxa n ASP 44 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 2vxa n ASP 44 Cb 0.53 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 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 -0.49 1.72 0.35 5.18 2.01 -1.26 -0.33 115.64 122.82 2vxa s THR 45 Ca 0.00 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.29 2vxa s THR 45 Cb 0.00 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2vxa s THR 45 CO 0.00 0.48 0.18 0.54 -0.69 0.00 0.00 174.62 175.14 2vxa n ARG 46 N 4.35 0.51 -3.60 4.92 1.74 0.11 -5.00 116.66 119.69 2vxa n ARG 46 Ca -0.19 -3.16 -0.03 0.00 -0.77 0.00 0.00 57.85 53.70 2vxa n ARG 46 Cb 0.51 2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 33.98 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 -3.26 -0.32 -0.11 -0.13 0.00 -1.26 -0.68 107.32 101.56 2vxa s GLY 47 Ca 0.26 1.40 -0.05 0.00 0.00 0.00 0.00 44.72 46.33 2vxa s GLY 47 CO 0.18 0.44 0.09 -1.58 0.00 0.00 0.00 173.10 172.23 2vxa s HIS 48 N -2.39 3.44 -0.19 1.90 2.46 -0.48 -4.98 115.29 115.05 2vxa s HIS 48 Ca 0.11 0.41 -0.04 0.00 0.47 0.00 0.00 55.06 56.01 2vxa s HIS 48 Cb 0.00 -1.89 -0.02 0.00 -0.13 0.00 0.00 32.58 30.55 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 -0.95 3.62 -0.03 0.89 1.01 -1.26 -1.52 121.20 122.95 2vxa s ILE 49 Ca 0.14 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.41 2vxa s ILE 49 Cb -0.12 -2.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2vxa s ILE 49 CO 0.03 0.45 -0.17 -0.70 0.00 0.00 0.00 174.94 174.55 2vxa s GLU 50 N 0.99 1.62 6.41 2.79 2.56 0.10 -4.89 118.70 128.29 2vxa s GLU 50 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.38 2vxa s GLU 50 Cb -0.15 -1.46 0.00 0.00 2.00 0.00 0.00 34.13 34.53 2vxa s GLU 50 CO 0.01 0.28 0.00 0.41 -0.56 0.00 0.00 175.26 175.40 2vxa n GLY 51 N 3.00 3.30 1.82 -1.50 0.00 -1.26 -1.37 105.19 109.18 2vxa n GLY 51 Ca -0.17 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 6.08 2.99 -0.02 0.00 -1.26 -5.01 105.19 107.97 2vxa n GLY 52 Ca 0.00 -2.35 -0.09 0.00 0.00 0.00 0.00 46.02 43.57 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 0.33 -0.02 1.61 1.70 -0.47 -5.12 118.95 113.42 2vxa s ARG 53 Ca 0.50 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.83 2vxa s ARG 53 Cb 0.42 0.09 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 2vxa s ARG 53 CO 0.02 -0.05 1.52 0.08 -1.08 0.00 0.00 175.30 175.79 2vxa s VAL 54 N -1.50 3.59 -0.44 4.99 1.01 -1.26 0.03 120.40 126.82 2vxa s VAL 54 Ca -0.15 0.89 0.12 0.00 0.00 0.00 0.00 61.98 62.83 2vxa s VAL 54 Cb -0.10 -3.57 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 2vxa s VAL 54 CO -0.01 -0.04 0.45 -0.46 0.00 0.00 0.00 175.10 175.04 2vxa n ASN 55 N 6.13 0.92 -3.70 3.32 6.94 -0.58 -4.88 115.26 123.41 2vxa n ASN 55 Ca 0.15 -0.61 -0.15 0.00 -0.02 0.00 0.00 54.58 53.95 2vxa n ASN 55 Cb 0.43 1.12 -0.15 0.00 -2.36 0.00 0.00 39.78 38.82 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 -2.27 -0.18 -0.12 -2.53 3.76 -1.22 -4.29 115.29 108.44 2vxa s HIS 56 Ca 0.02 0.57 -0.20 0.00 -0.15 0.00 0.00 55.06 55.30 2vxa s HIS 56 Cb 0.09 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.56 2vxa s HIS 56 CO 0.49 -0.23 0.56 -1.58 -0.85 0.00 0.00 174.74 173.13 2vxa s TRP 57 N 1.81 3.50 -0.28 1.40 0.52 0.41 -1.39 118.94 124.91 2vxa s TRP 57 Ca -0.02 0.99 0.02 0.00 0.02 0.00 0.00 56.10 57.11 2vxa s TRP 57 Cb -0.12 -2.67 0.08 0.00 -1.15 0.00 0.00 33.47 29.61 2vxa s TRP 57 CO -0.06 0.08 -0.02 -0.65 0.02 0.00 0.00 176.95 176.32 2vxa s GLN 58 N 0.92 1.66 -0.20 4.98 -0.21 0.14 -1.96 119.66 124.99 2vxa s GLN 58 Ca 0.30 -1.38 -0.05 0.00 0.02 0.00 0.00 55.36 54.24 2vxa s GLN 58 Cb -0.16 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 2vxa s GLN 58 CO 0.12 -0.74 0.00 0.08 -2.12 0.00 0.00 175.29 172.64 2vxa s VAL 59 N 1.18 3.95 -0.08 1.09 1.01 -0.70 0.05 120.40 126.90 2vxa s VAL 59 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2vxa s VAL 59 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2vxa s VAL 59 CO -0.08 0.43 0.13 0.28 0.00 0.00 0.00 175.10 175.85 2vxa s THR 60 N 1.02 5.28 -0.05 3.92 -1.32 0.55 -1.11 115.64 123.94 2vxa s THR 60 Ca 0.02 0.01 -0.09 0.00 -1.21 0.00 0.00 61.69 60.42 2vxa s THR 60 Cb -0.14 -3.34 0.02 0.00 -1.51 0.00 0.00 72.50 67.52 2vxa s THR 60 CO 0.02 0.53 0.22 0.54 -2.21 0.00 0.00 174.62 173.71 2vxa s VAL 61 N -1.10 0.04 -0.20 5.08 0.11 0.12 -0.36 120.40 124.10 2vxa s VAL 61 Ca 0.18 -0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2vxa s VAL 61 Cb -0.12 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2vxa s VAL 61 CO 0.08 -0.16 0.03 -0.54 -3.33 0.00 0.00 175.10 171.18 2vxa s LYS 62 N -0.60 3.75 -0.14 1.54 1.02 0.13 -1.24 119.74 124.21 2vxa s LYS 62 Ca -0.07 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2vxa s LYS 62 Cb -0.04 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2vxa s LYS 62 CO 0.01 0.10 -0.15 0.08 -0.92 0.00 0.00 175.35 174.48 2vxa s VAL 63 N 0.81 2.80 -0.17 3.17 1.01 -0.02 -0.24 120.40 127.76 2vxa s VAL 63 Ca 0.02 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2vxa s VAL 63 Cb -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2vxa s VAL 63 CO 0.02 0.52 0.05 -0.83 0.00 0.00 0.00 175.10 174.86 2vxa s GLY 64 N 0.63 1.89 0.01 4.51 0.00 0.85 -1.44 107.32 113.77 2vxa s GLY 64 Ca -0.08 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 2vxa s GLY 64 CO 0.03 -0.04 0.05 -0.11 0.00 0.00 0.00 173.10 173.03 2vxa s PHE 65 N 0.17 0.14 -0.03 1.90 -0.71 -0.41 -0.70 117.98 118.34 2vxa s PHE 65 Ca 0.04 -0.30 -0.30 0.00 -1.04 0.00 0.00 56.93 55.33 2vxa s PHE 65 Cb -0.12 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 2vxa s PHE 65 CO 0.01 -0.22 1.24 0.99 -1.34 0.00 0.00 175.22 175.90 2vxa s THR 66 N -1.31 4.13 -0.06 -4.49 2.01 -0.68 -1.04 115.64 114.19 2vxa s THR 66 Ca -0.14 1.47 -0.27 0.00 0.31 0.00 0.00 61.69 63.07 2vxa s THR 66 Cb -0.08 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2vxa s THR 66 CO 0.00 0.01 0.85 -0.76 -0.69 0.00 0.00 174.62 174.03 2vxa s LEU 67 N 2.14 4.31 0.00 4.42 1.43 -0.64 -4.73 118.68 125.61 2vxa s LEU 67 Ca 0.58 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2vxa s LEU 67 Cb -0.26 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2vxa s LEU 67 CO 0.23 -0.24 0.00 -1.84 0.23 0.00 0.00 176.35 174.73 2vxa n GLU 68 N 4.16 0.00 0.00 1.70 -0.00 -1.26 -4.47 120.64 120.77 2vxa n GLU 68 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 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