#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 -3.66 -3.68 2.11 -0.00 -1.26 -5.14 115.22 103.60 2vxa n HIS 4 Ca 0.00 -0.76 -0.10 0.00 -0.00 0.00 0.00 57.72 56.86 2vxa n HIS 4 Cb 0.00 -0.92 -0.09 0.00 -0.00 0.00 0.00 29.99 28.98 2vxa n HIS 4 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2vxa s VAL 5 N -2.44 -0.01 0.14 0.61 1.01 -1.26 -5.12 120.40 113.33 2vxa s VAL 5 Ca 0.56 0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.69 2vxa s VAL 5 Cb -0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2vxa s VAL 5 CO 0.43 0.02 -0.26 -0.31 0.00 0.00 0.00 175.10 174.98 2vxa s TYR 6 N 1.23 2.26 -0.00 5.22 1.51 -1.26 -1.47 117.35 124.83 2vxa s TYR 6 Ca -0.08 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.65 2vxa s TYR 6 Cb -0.06 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 2vxa s TYR 6 CO -0.12 0.37 -0.12 0.21 -1.11 0.00 0.00 175.55 174.78 2vxa s LYS 7 N -2.20 2.43 -0.17 -0.62 2.20 -0.15 -4.90 119.74 116.32 2vxa s LYS 7 Ca 0.15 -0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2vxa s LYS 7 Cb -0.09 -2.39 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 2vxa s LYS 7 CO 0.07 0.60 -0.12 0.42 -0.36 0.00 0.00 175.35 175.95 2vxa s ILE 8 N -0.90 2.84 0.14 5.43 1.01 -1.26 -1.37 121.20 127.10 2vxa s ILE 8 Ca 0.15 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.18 2vxa s ILE 8 Cb -0.11 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2vxa s ILE 8 CO 0.05 0.49 -0.12 0.68 0.00 0.00 0.00 174.94 176.04 2vxa s VAL 9 N 1.00 3.16 -0.23 2.92 -7.23 -0.45 -4.93 120.40 114.64 2vxa s VAL 9 Ca -0.01 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 58.60 2vxa s VAL 9 Cb -0.15 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 2vxa s VAL 9 CO -0.02 0.01 0.03 -0.70 -0.31 0.00 0.00 175.10 174.12 2vxa s GLU 10 N -2.46 3.59 0.16 4.82 2.12 -1.26 -0.68 118.70 124.99 2vxa s GLU 10 Ca 0.22 -0.51 0.07 0.00 0.36 0.00 0.00 54.97 55.10 2vxa s GLU 10 Cb -0.10 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2vxa s GLU 10 CO 0.13 -0.15 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.06 2vxa s LEU 11 N 1.46 2.48 -0.15 2.70 1.43 -0.25 -4.97 118.68 121.39 2vxa s LEU 11 Ca 0.05 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 2vxa s LEU 11 Cb -0.15 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.52 2vxa s LEU 11 CO 0.02 -0.17 -0.10 0.28 0.23 0.00 0.00 176.35 176.61 2vxa s THR 12 N -2.62 1.32 0.24 5.49 -1.32 -1.26 -0.15 115.64 117.33 2vxa s THR 12 Ca 0.16 -0.58 -0.06 0.00 -1.21 0.00 0.00 61.69 60.00 2vxa s THR 12 Cb -0.02 -1.34 -0.06 0.00 -1.51 0.00 0.00 72.50 69.57 2vxa s THR 12 CO 0.04 0.32 0.51 -0.83 -2.21 0.00 0.00 174.62 172.45 2vxa s GLY 13 N 1.57 2.03 0.12 6.08 0.00 -0.11 -4.89 107.32 112.13 2vxa s GLY 13 Ca 0.03 -0.51 0.09 0.00 0.00 0.00 0.00 44.72 44.33 2vxa s GLY 13 CO -0.09 -0.40 -0.21 -0.45 0.00 0.00 0.00 173.10 171.94 2vxa s SER 14 N -2.82 2.70 -0.28 1.64 0.15 -1.25 -1.49 113.70 112.35 2vxa s SER 14 Ca 0.44 -0.73 -0.24 0.00 0.70 0.00 0.00 55.95 56.12 2vxa s SER 14 Cb -0.11 -0.16 0.12 0.00 -1.71 0.00 0.00 66.02 64.16 2vxa s SER 14 CO 0.27 0.06 1.00 -0.55 1.20 0.00 0.00 173.24 175.22 2vxa s SER 15 N -2.08 -0.48 0.00 5.45 0.15 -0.84 -4.45 113.70 111.45 2vxa s SER 15 Ca 0.10 0.92 0.25 0.00 0.70 0.00 0.00 55.95 57.91 2vxa s SER 15 Cb -0.09 0.96 1.41 0.00 -1.71 0.00 0.00 66.02 66.59 2vxa s SER 15 CO 0.05 -0.16 1.85 -0.81 1.20 0.00 0.00 173.24 175.38 2vxa n PRO 16 N 2.41 0.63 -0.08 5.44 -0.04 -1.26 -0.09 135.00 142.01 2vxa n PRO 16 Ca -0.13 0.02 -0.08 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 -1.11 0.90 0.00 3.54 3.02 -1.26 -4.84 115.26 115.51 2vxa n ASN 17 Ca 0.16 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2vxa n ASN 17 Cb 0.13 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 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 1.98 -0.16 0.11 7.41 0.00 -1.26 -4.98 105.19 108.28 2vxa n GLY 18 Ca -0.27 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 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 1.06 -0.97 -0.61 2.04 -1.94 -1.64 117.51 115.46 2vxa h ILE 19 Ca 0.00 -1.03 0.09 0.00 1.00 0.00 0.00 64.86 64.91 2vxa h ILE 19 Cb 0.00 1.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 2vxa h ILE 19 CO 0.00 0.23 0.62 -0.33 0.00 0.00 0.00 178.15 178.68 2vxa h GLU 20 N -0.68 1.02 -0.23 2.37 3.07 -2.00 -1.92 114.58 116.21 2vxa h GLU 20 Ca -0.02 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 2vxa h GLU 20 Cb 0.51 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2vxa h GLU 20 CO 0.03 0.67 -0.06 0.93 -1.40 0.00 0.00 179.01 179.18 2vxa h GLU 21 N 1.05 0.45 -0.55 2.33 3.07 -1.90 -1.44 114.58 117.59 2vxa h GLU 21 Ca 0.44 -0.18 0.07 0.00 -0.50 0.00 0.00 59.36 59.20 2vxa h GLU 21 Cb 0.30 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 2vxa h GLU 21 CO -0.19 0.69 0.21 0.00 -1.40 0.00 0.00 179.01 178.32 2vxa h ALA 22 N 0.75 0.69 -0.29 3.43 0.00 -0.90 -0.21 119.26 122.73 2vxa h ALA 22 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2vxa h ALA 22 Cb 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vxa h ALA 22 CO 0.02 -0.18 -0.48 -0.39 0.00 0.00 0.00 179.25 178.22 2vxa h VAL 23 N 0.40 1.28 -0.73 0.00 -1.51 -1.17 -2.49 116.25 112.04 2vxa h VAL 23 Ca 0.26 -1.67 0.09 0.00 -1.23 0.00 0.00 66.70 64.16 2vxa h VAL 23 Cb 0.28 1.63 -0.07 0.00 -2.13 0.00 0.00 31.29 31.00 2vxa h VAL 23 CO -0.25 0.54 0.38 0.78 -1.23 0.00 0.00 177.57 177.79 2vxa h ASN 24 N 0.61 0.51 -0.74 4.19 -0.26 -0.86 0.16 115.58 119.19 2vxa h ASN 24 Ca 0.02 0.05 0.07 0.00 -0.56 0.00 0.00 56.30 55.89 2vxa h ASN 24 Cb 1.09 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 38.24 2vxa h ASN 24 CO 0.11 0.30 0.41 0.78 -1.06 0.00 0.00 177.43 177.97 2vxa h ASN 25 N 0.65 0.60 -0.61 5.81 -0.26 -0.92 0.23 115.58 121.09 2vxa h ASN 25 Ca 0.35 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 56.04 2vxa h ASN 25 Cb 0.34 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 2vxa h ASN 25 CO -0.25 0.37 0.04 0.00 -1.06 0.00 0.00 177.43 176.53 2vxa h ALA 26 N 1.39 0.81 -0.18 -0.83 0.00 -0.57 -1.43 119.26 118.44 2vxa h ALA 26 Ca 0.34 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2vxa h ALA 26 Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2vxa h ALA 26 CO -0.21 0.62 -0.57 0.82 0.00 0.00 0.00 179.25 179.92 2vxa h ILE 27 N 0.94 1.32 0.59 0.00 2.04 -0.46 -2.40 117.51 119.55 2vxa h ILE 27 Ca 0.18 -1.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 2vxa h ILE 27 Cb 0.51 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2vxa h ILE 27 CO 0.02 0.57 -0.37 0.00 0.00 0.00 0.00 178.15 178.37 2vxa h ALA 28 N 0.94 -0.94 -0.13 1.87 0.00 -0.34 -0.95 119.26 119.71 2vxa h ALA 28 Ca 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2vxa h ALA 28 Cb 1.12 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2vxa h ALA 28 CO 0.11 -1.04 0.14 0.00 0.00 0.00 0.00 179.25 178.46 2vxa h ARG 29 N -0.92 0.00 0.17 0.00 2.47 -1.27 -0.84 114.38 114.00 2vxa h ARG 29 Ca -0.07 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.35 2vxa h ARG 29 Cb 0.75 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.09 2vxa h ARG 29 CO 0.07 0.00 -1.32 0.00 0.56 0.00 0.00 179.97 179.28 2vxa h ALA 30 N 1.84 -0.01 0.00 0.04 0.00 -1.20 -3.31 119.26 116.62 2vxa h ALA 30 Ca 0.06 -0.84 -0.06 0.00 0.00 0.00 0.00 54.91 54.07 2vxa h ALA 30 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2vxa h ALA 30 CO -0.00 0.80 -0.27 0.78 0.00 0.00 0.00 179.25 180.56 2vxa h GLY 31 N 0.77 0.00 0.89 0.00 0.00 0.24 0.41 103.07 105.39 2vxa h GLY 31 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2vxa h GLY 31 CO 0.24 0.00 0.09 0.83 0.00 0.00 0.00 176.54 177.70 2vxa h GLU 32 N 0.00 0.19 0.00 4.80 5.08 -1.49 -3.37 114.58 119.80 2vxa h GLU 32 Ca -0.00 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 2vxa h GLU 32 Cb 0.49 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2vxa h GLU 32 CO 0.03 0.13 -2.28 -2.37 -1.00 0.00 0.00 179.01 173.52 2vxa n THR 33 N -5.01 1.15 -3.70 1.13 5.66 -1.06 -4.99 114.28 107.45 2vxa n THR 33 Ca -0.03 -0.79 -0.22 0.00 -3.05 0.00 0.00 64.05 59.96 2vxa n THR 33 Cb 0.06 -0.40 -0.03 0.00 -1.55 0.00 0.00 70.33 68.40 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 -5.34 3.24 0.02 1.09 2.01 0.14 -5.12 118.68 114.71 2vxa s LEU 34 Ca -0.09 -0.88 0.00 0.00 0.01 0.00 0.00 54.13 53.17 2vxa s LEU 34 Cb 0.08 -1.81 -0.01 0.00 0.01 0.00 0.00 46.19 44.45 2vxa s LEU 34 CO 0.84 -0.71 -0.03 0.00 1.01 0.00 0.00 176.35 177.46 2vxa s ARG 35 N -4.12 0.27 -0.80 1.70 1.70 -1.26 -4.47 118.95 111.96 2vxa s ARG 35 Ca 0.45 -0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 55.26 2vxa s ARG 35 Cb -0.02 -0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.36 2vxa s ARG 35 CO 0.26 -0.01 0.68 0.72 -1.08 0.00 0.00 175.30 175.86 2vxa n HIS 36 N 2.06 -1.51 -2.10 5.89 8.25 -1.26 -4.33 115.22 122.22 2vxa n HIS 36 Ca -0.20 0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 57.46 2vxa n HIS 36 Cb 0.56 -3.98 -0.03 0.00 1.12 0.00 0.00 29.99 27.67 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 -4.91 4.32 -0.15 2.41 1.43 -1.26 -1.54 118.68 118.98 2vxa s LEU 37 Ca 0.06 2.19 -0.09 0.00 -1.03 0.00 0.00 54.13 55.26 2vxa s LEU 37 Cb -0.02 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 2vxa s LEU 37 CO 0.48 -0.83 -0.22 0.54 0.23 0.00 0.00 176.35 176.55 2vxa n ARG 38 N 6.17 0.35 -3.98 1.70 5.12 0.26 -4.99 116.66 121.30 2vxa n ARG 38 Ca 0.15 0.15 -0.09 0.00 -1.93 0.00 0.00 57.85 56.13 2vxa n ARG 38 Cb 0.43 -1.09 -0.08 0.00 -1.16 0.00 0.00 32.46 30.55 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 -2.37 0.41 0.16 -1.55 -2.14 -1.08 -5.01 118.94 107.36 2vxa s TRP 39 Ca -0.22 -0.83 0.01 0.00 2.66 0.00 0.00 56.10 57.72 2vxa s TRP 39 Cb 0.08 -0.18 -0.04 0.00 -3.10 0.00 0.00 33.47 30.22 2vxa s TRP 39 CO 0.29 -0.57 0.02 -0.59 -2.66 0.00 0.00 176.95 173.43 2vxa s PHE 40 N -3.94 1.10 -0.05 1.66 -0.12 -1.26 0.43 117.98 115.81 2vxa s PHE 40 Ca 0.13 -1.08 -0.02 0.00 -0.05 0.00 0.00 56.93 55.91 2vxa s PHE 40 Cb 0.05 -0.63 0.04 0.00 -0.63 0.00 0.00 43.02 41.85 2vxa s PHE 40 CO -0.05 -0.30 0.10 -2.00 -0.05 0.00 0.00 175.22 172.92 2vxa s GLU 41 N -3.95 0.03 -0.15 1.99 2.12 0.31 -4.96 118.70 114.09 2vxa s GLU 41 Ca 0.24 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 2vxa s GLU 41 Cb 0.06 -0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.20 2vxa s GLU 41 CO 0.03 -0.18 1.36 0.08 -0.54 0.00 0.00 175.26 176.01 2vxa s VAL 42 N 1.26 4.10 -0.18 3.70 1.01 -1.26 -0.18 120.40 128.85 2vxa s VAL 42 Ca -0.08 1.32 0.19 0.00 0.00 0.00 0.00 61.98 63.41 2vxa s VAL 42 Cb -0.12 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2vxa s VAL 42 CO -0.05 -0.14 1.02 1.62 0.00 0.00 0.00 175.10 177.55 2vxa h VAL 43 N 5.56 0.36 -1.06 2.92 3.04 -1.33 -3.48 116.25 122.26 2vxa h VAL 43 Ca -0.29 -1.66 0.20 0.00 -1.01 0.00 0.00 66.70 63.94 2vxa h VAL 43 Cb 1.12 1.92 -0.33 0.00 -2.01 0.00 0.00 31.29 31.99 2vxa h VAL 43 CO 0.97 0.21 0.84 -0.62 -1.01 0.00 0.00 177.57 177.95 2vxa s ASP 44 N -5.77 -0.05 -0.14 3.17 2.15 -1.16 -5.00 116.67 109.87 2vxa s ASP 44 Ca -0.01 0.08 0.01 0.00 0.43 0.00 0.00 52.55 53.07 2vxa s ASP 44 Cb 0.09 0.48 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 2vxa s ASP 44 CO 0.79 -0.01 -0.16 -0.89 -0.17 0.00 0.00 175.17 174.72 2vxa s THR 45 N 0.45 1.66 0.33 1.71 2.01 -1.26 -0.81 115.64 119.73 2vxa s THR 45 Ca 0.01 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2vxa s THR 45 Cb -0.04 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2vxa s THR 45 CO -0.13 0.47 0.18 0.54 -0.69 0.00 0.00 174.62 174.99 2vxa n ARG 46 N 4.48 0.51 -3.61 4.92 1.74 0.78 -5.00 116.66 120.49 2vxa n ARG 46 Ca -0.18 -3.01 -0.00 0.00 -0.77 0.00 0.00 57.85 53.88 2vxa n ARG 46 Cb 0.51 1.98 -0.01 0.00 -1.02 0.00 0.00 32.46 33.91 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 -3.16 -0.37 -0.12 -0.13 0.00 -1.26 -0.45 107.32 101.85 2vxa s GLY 47 Ca 0.25 1.15 -0.07 0.00 0.00 0.00 0.00 44.72 46.06 2vxa s GLY 47 CO 0.18 0.31 0.14 -1.58 0.00 0.00 0.00 173.10 172.15 2vxa s HIS 48 N -2.31 3.59 -0.16 1.90 2.46 -0.43 -4.98 115.29 115.35 2vxa s HIS 48 Ca 0.13 0.52 -0.02 0.00 0.47 0.00 0.00 55.06 56.15 2vxa s HIS 48 Cb 0.03 -1.93 -0.02 0.00 -0.13 0.00 0.00 32.58 30.53 2vxa s HIS 48 CO -0.04 0.73 -0.07 0.42 -2.47 0.00 0.00 174.74 173.31 2vxa s ILE 49 N -1.04 3.47 -0.03 0.89 1.01 -1.26 -1.50 121.20 122.74 2vxa s ILE 49 Ca 0.15 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2vxa s ILE 49 Cb -0.12 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.84 2vxa s ILE 49 CO 0.04 0.49 -0.10 -0.70 0.00 0.00 0.00 174.94 174.67 2vxa s GLU 50 N 0.64 1.13 6.89 2.79 2.56 0.86 -4.90 118.70 128.66 2vxa s GLU 50 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.97 54.58 2vxa s GLU 50 Cb -0.15 -1.03 0.00 0.00 2.00 0.00 0.00 34.13 34.95 2vxa s GLU 50 CO 0.03 0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.25 2vxa n GLY 51 N 3.34 3.16 1.58 -1.50 0.00 -1.26 -1.85 105.19 108.65 2vxa n GLY 51 Ca -0.19 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 5.44 3.04 -0.02 0.00 -1.26 -5.01 105.19 107.37 2vxa n GLY 52 Ca 0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.43 0.47 -0.01 1.61 1.70 -0.77 -5.12 118.95 113.39 2vxa s ARG 53 Ca 0.49 -0.67 -0.30 0.00 -0.47 0.00 0.00 55.73 54.78 2vxa s ARG 53 Cb 0.43 -0.22 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 2vxa s ARG 53 CO 0.01 0.04 1.68 0.08 -1.08 0.00 0.00 175.30 176.02 2vxa s VAL 54 N -1.27 3.39 -0.26 4.99 1.01 -1.26 -0.10 120.40 126.90 2vxa s VAL 54 Ca -0.10 0.58 0.12 0.00 0.00 0.00 0.00 61.98 62.59 2vxa s VAL 54 Cb -0.09 -3.38 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 2vxa s VAL 54 CO 0.00 -0.04 0.38 -0.46 0.00 0.00 0.00 175.10 174.98 2vxa n ASN 55 N 6.74 1.45 -3.78 3.32 6.94 -0.57 -4.89 115.26 124.48 2vxa n ASN 55 Ca 0.17 -0.35 -0.14 0.00 -0.02 0.00 0.00 54.58 54.24 2vxa n ASN 55 Cb 0.42 1.32 -0.15 0.00 -2.36 0.00 0.00 39.78 39.01 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 -2.55 -0.03 -0.22 -2.53 3.76 -1.21 -4.25 115.29 108.27 2vxa s HIS 56 Ca -0.01 0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.01 2vxa s HIS 56 Cb 0.08 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.57 2vxa s HIS 56 CO 0.51 -0.10 0.18 -1.58 -0.85 0.00 0.00 174.74 172.90 2vxa s TRP 57 N 0.93 3.37 -0.27 1.40 0.52 0.88 -1.32 118.94 124.45 2vxa s TRP 57 Ca -0.08 0.32 0.03 0.00 0.02 0.00 0.00 56.10 56.39 2vxa s TRP 57 Cb -0.11 -2.25 0.07 0.00 -1.15 0.00 0.00 33.47 30.03 2vxa s TRP 57 CO -0.03 0.16 -0.05 -0.65 0.02 0.00 0.00 176.95 176.39 2vxa s GLN 58 N 0.75 1.87 -0.21 4.98 -0.21 0.41 -1.98 119.66 125.28 2vxa s GLN 58 Ca 0.09 -1.36 -0.03 0.00 0.02 0.00 0.00 55.36 54.08 2vxa s GLN 58 Cb -0.13 -2.85 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 2vxa s GLN 58 CO 0.02 -0.67 -0.06 0.08 -2.12 0.00 0.00 175.29 172.54 2vxa s VAL 59 N 1.15 3.33 -0.03 1.09 1.01 -0.55 -0.16 120.40 126.24 2vxa s VAL 59 Ca -0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2vxa s VAL 59 Cb -0.19 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2vxa s VAL 59 CO -0.07 0.44 0.17 0.28 0.00 0.00 0.00 175.10 175.92 2vxa s THR 60 N 1.30 5.39 -0.03 3.92 -1.32 0.01 -0.93 115.64 123.97 2vxa s THR 60 Ca 0.04 -0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.27 2vxa s THR 60 Cb -0.14 -3.48 0.02 0.00 -1.51 0.00 0.00 72.50 67.38 2vxa s THR 60 CO -0.02 0.38 0.28 0.54 -2.21 0.00 0.00 174.62 173.58 2vxa s VAL 61 N -1.26 0.05 -0.18 5.08 0.11 0.78 -0.86 120.40 124.12 2vxa s VAL 61 Ca 0.25 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2vxa s VAL 61 Cb -0.12 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2vxa s VAL 61 CO 0.16 -0.23 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.06 2vxa s LYS 62 N -1.03 3.32 -0.13 1.54 1.02 0.75 -1.09 119.74 124.13 2vxa s LYS 62 Ca -0.11 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 2vxa s LYS 62 Cb -0.05 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2vxa s LYS 62 CO 0.03 -0.03 -0.10 0.08 -0.92 0.00 0.00 175.35 174.40 2vxa s VAL 63 N 1.00 3.31 -0.14 3.17 1.01 0.14 -0.53 120.40 128.35 2vxa s VAL 63 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2vxa s VAL 63 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2vxa s VAL 63 CO -0.01 0.53 0.00 -0.83 0.00 0.00 0.00 175.10 174.79 2vxa s GLY 64 N 0.20 1.81 -0.02 4.51 0.00 0.17 -1.33 107.32 112.65 2vxa s GLY 64 Ca -0.06 -0.79 -0.08 0.00 0.00 0.00 0.00 44.72 43.79 2vxa s GLY 64 CO 0.04 -0.19 0.17 -0.11 0.00 0.00 0.00 173.10 173.01 2vxa s PHE 65 N -0.03 -0.06 0.09 1.90 -0.71 -0.47 -0.57 117.98 118.12 2vxa s PHE 65 Ca 0.03 0.12 -0.31 0.00 -1.04 0.00 0.00 56.93 55.74 2vxa s PHE 65 Cb -0.13 0.01 -0.07 0.00 -1.21 0.00 0.00 43.02 41.61 2vxa s PHE 65 CO 0.02 -0.23 1.41 0.99 -1.34 0.00 0.00 175.22 176.06 2vxa s THR 66 N -0.87 3.38 -0.11 -4.49 2.01 -0.59 -0.98 115.64 114.00 2vxa s THR 66 Ca -0.10 0.95 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 2vxa s THR 66 Cb -0.05 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2vxa s THR 66 CO 0.01 0.05 0.71 -0.76 -0.69 0.00 0.00 174.62 173.94 2vxa s LEU 67 N 1.47 4.26 0.00 4.42 1.43 -0.54 -4.75 118.68 124.96 2vxa s LEU 67 Ca 0.65 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 2vxa s LEU 67 Cb -0.36 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 42.80 2vxa s LEU 67 CO 0.30 -0.20 0.00 -1.84 0.23 0.00 0.00 176.35 174.84 2vxa n GLU 68 N 4.28 0.00 0.00 1.70 -0.00 -1.26 -4.55 120.64 120.81 2vxa n GLU 68 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 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