#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 3.24 -0.02 2.11 3.76 -1.26 -5.11 115.29 118.01 2vxa s HIS 4 Ca 0.00 1.35 0.01 0.00 -0.15 0.00 0.00 55.06 56.28 2vxa s HIS 4 Cb 0.00 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.84 2vxa s HIS 4 CO 0.00 -1.13 -0.03 0.08 -0.85 0.00 0.00 174.74 172.81 2vxa s VAL 5 N -3.10 0.32 0.17 -0.90 1.01 -1.26 -5.11 120.40 111.53 2vxa s VAL 5 Ca 0.57 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 62.56 2vxa s VAL 5 Cb -0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2vxa s VAL 5 CO 0.55 0.13 -0.24 -0.31 0.00 0.00 0.00 175.10 175.23 2vxa s TYR 6 N 0.36 2.34 0.04 5.22 1.51 -1.26 -1.59 117.35 123.97 2vxa s TYR 6 Ca -0.04 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.72 2vxa s TYR 6 Cb -0.07 -1.20 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 2vxa s TYR 6 CO -0.01 0.44 -0.05 0.21 -1.11 0.00 0.00 175.55 175.04 2vxa s LYS 7 N -2.46 2.49 -0.21 -0.62 2.20 -0.21 -4.90 119.74 116.04 2vxa s LYS 7 Ca 0.19 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 55.02 2vxa s LYS 7 Cb -0.09 -2.49 0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2vxa s LYS 7 CO 0.09 0.57 -0.15 0.42 -0.36 0.00 0.00 175.35 175.92 2vxa s ILE 8 N -1.13 2.02 0.08 5.43 1.01 -1.26 -1.46 121.20 125.89 2vxa s ILE 8 Ca 0.20 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2vxa s ILE 8 Cb -0.11 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2vxa s ILE 8 CO 0.12 0.28 0.05 0.68 0.00 0.00 0.00 174.94 176.06 2vxa s VAL 9 N 1.25 4.33 -0.26 2.92 -7.23 -0.72 -4.90 120.40 115.78 2vxa s VAL 9 Ca -0.01 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 2vxa s VAL 9 Cb -0.16 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2vxa s VAL 9 CO -0.09 0.15 0.13 -0.70 -0.31 0.00 0.00 175.10 174.27 2vxa s GLU 10 N -2.28 3.81 0.08 4.82 2.12 -1.26 -0.73 118.70 125.25 2vxa s GLU 10 Ca 0.27 -0.39 0.06 0.00 0.36 0.00 0.00 54.97 55.27 2vxa s GLU 10 Cb -0.12 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 2vxa s GLU 10 CO 0.20 -0.17 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.08 2vxa s LEU 11 N 1.65 2.27 -0.20 2.70 1.43 -0.48 -4.97 118.68 121.09 2vxa s LEU 11 Ca 0.07 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2vxa s LEU 11 Cb -0.15 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.49 2vxa s LEU 11 CO 0.07 -0.03 -0.13 0.28 0.23 0.00 0.00 176.35 176.77 2vxa s THR 12 N -1.21 1.84 0.35 5.49 -1.32 -1.26 0.02 115.64 119.54 2vxa s THR 12 Ca 0.00 -1.07 -0.09 0.00 -1.21 0.00 0.00 61.69 59.32 2vxa s THR 12 Cb -0.10 -1.83 -0.06 0.00 -1.51 0.00 0.00 72.50 68.99 2vxa s THR 12 CO 0.03 0.25 0.68 -0.83 -2.21 0.00 0.00 174.62 172.54 2vxa s GLY 13 N 1.32 2.00 0.07 6.08 0.00 -0.22 -4.89 107.32 111.69 2vxa s GLY 13 Ca -0.01 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.51 2vxa s GLY 13 CO -0.09 -0.11 -0.18 -0.45 0.00 0.00 0.00 173.10 172.26 2vxa s SER 14 N -2.97 2.21 -0.26 1.64 0.15 -1.25 -1.68 113.70 111.54 2vxa s SER 14 Ca 0.49 -0.59 -0.25 0.00 0.70 0.00 0.00 55.95 56.30 2vxa s SER 14 Cb -0.10 -0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.16 2vxa s SER 14 CO 0.28 0.06 0.83 -0.55 1.20 0.00 0.00 173.24 175.06 2vxa s SER 15 N -1.54 -0.64 0.00 5.45 0.15 -0.78 -4.52 113.70 111.82 2vxa s SER 15 Ca 0.04 1.21 0.31 0.00 0.70 0.00 0.00 55.95 58.21 2vxa s SER 15 Cb -0.09 1.22 1.72 0.00 -1.71 0.00 0.00 66.02 67.15 2vxa s SER 15 CO 0.03 -0.23 2.14 -0.81 1.20 0.00 0.00 173.24 175.56 2vxa n PRO 16 N 2.43 0.85 -0.11 5.44 -0.04 -1.26 -0.23 135.00 142.09 2vxa n PRO 16 Ca -0.14 -0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 2vxa n PRO 16 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.02 1.15 0.00 3.54 3.02 -1.26 -4.84 115.26 115.86 2vxa n ASN 17 Ca 0.20 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2vxa n ASN 17 Cb 0.17 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 2.07 -1.25 0.09 7.41 0.00 -1.26 -5.00 105.19 107.25 2vxa n GLY 18 Ca -0.37 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 1.20 -0.51 -0.61 2.04 -1.94 -0.86 117.51 116.83 2vxa h ILE 19 Ca 0.00 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 64.79 2vxa h ILE 19 Cb 0.00 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2vxa h ILE 19 CO 0.00 0.27 0.34 -0.33 0.00 0.00 0.00 178.15 178.42 2vxa h GLU 20 N -0.61 0.56 -0.09 2.37 3.07 -2.00 -1.86 114.58 116.01 2vxa h GLU 20 Ca -0.01 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.65 2vxa h GLU 20 Cb 0.51 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2vxa h GLU 20 CO 0.02 0.37 -0.60 0.93 -1.40 0.00 0.00 179.01 178.33 2vxa h GLU 21 N 0.58 0.57 -0.75 2.33 3.07 -1.91 -2.08 114.58 116.39 2vxa h GLU 21 Ca 0.20 -0.49 0.07 0.00 -0.50 0.00 0.00 59.36 58.65 2vxa h GLU 21 Cb 0.10 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 2vxa h GLU 21 CO -0.05 1.11 0.42 0.00 -1.40 0.00 0.00 179.01 179.10 2vxa h ALA 22 N 0.46 1.03 -0.11 3.43 0.00 -0.68 -0.76 119.26 122.63 2vxa h ALA 22 Ca -0.05 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2vxa h ALA 22 Cb 1.25 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2vxa h ALA 22 CO 0.12 0.10 -0.79 -0.39 0.00 0.00 0.00 179.25 178.29 2vxa h VAL 23 N 0.76 1.31 -0.89 0.00 -1.51 -1.31 -2.76 116.25 111.85 2vxa h VAL 23 Ca 0.34 -2.06 0.06 0.00 -1.23 0.00 0.00 66.70 63.81 2vxa h VAL 23 Cb 0.24 2.06 -0.06 0.00 -2.13 0.00 0.00 31.29 31.41 2vxa h VAL 23 CO -0.20 0.64 0.56 0.78 -1.23 0.00 0.00 177.57 178.12 2vxa h ASN 24 N 0.44 0.89 -0.29 4.19 -0.26 -1.11 0.13 115.58 119.57 2vxa h ASN 24 Ca -0.05 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2vxa h ASN 24 Cb 1.40 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 38.46 2vxa h ASN 24 CO 0.15 0.58 0.15 0.78 -1.06 0.00 0.00 177.43 178.03 2vxa h ASN 25 N 1.03 0.24 -0.79 5.81 -0.26 -1.10 0.33 115.58 120.84 2vxa h ASN 25 Ca 0.38 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 56.15 2vxa h ASN 25 Cb 0.14 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 2vxa h ASN 25 CO -0.16 0.18 0.52 0.00 -1.06 0.00 0.00 177.43 176.90 2vxa h ALA 26 N 1.14 1.02 -0.19 -0.83 0.00 -1.15 -0.22 119.26 119.03 2vxa h ALA 26 Ca 0.12 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2vxa h ALA 26 Cb 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.52 2vxa h ALA 26 CO -0.07 0.37 -0.68 0.82 0.00 0.00 0.00 179.25 179.69 2vxa h ILE 27 N 1.03 1.28 -0.16 0.00 2.04 -0.59 -2.08 117.51 119.03 2vxa h ILE 27 Ca 0.30 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.33 2vxa h ILE 27 Cb -0.06 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 2vxa h ILE 27 CO -0.09 0.60 -0.34 0.00 0.00 0.00 0.00 178.15 178.33 2vxa h ALA 28 N 0.58 -0.39 0.00 1.87 0.00 -0.12 -0.69 119.26 120.52 2vxa h ALA 28 Ca -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2vxa h ALA 28 Cb 1.31 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 2vxa h ALA 28 CO 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 179.25 178.46 2vxa h ARG 29 N -0.40 0.00 -0.10 0.00 2.47 -0.94 -1.63 114.38 113.78 2vxa h ARG 29 Ca 0.10 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.62 2vxa h ARG 29 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2vxa h ARG 29 CO -0.38 0.12 -0.75 0.00 0.56 0.00 0.00 179.97 179.52 2vxa h ALA 30 N 1.88 0.49 0.00 0.04 0.00 -1.11 -3.28 119.26 117.29 2vxa h ALA 30 Ca -0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 2vxa h ALA 30 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2vxa h ALA 30 CO 0.02 0.73 -0.39 0.78 0.00 0.00 0.00 179.25 180.39 2vxa h GLY 31 N 1.02 0.00 1.00 0.00 0.00 -0.18 0.39 103.07 105.31 2vxa h GLY 31 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2vxa h GLY 31 CO 0.14 0.00 0.41 0.83 0.00 0.00 0.00 176.54 177.92 2vxa h GLU 32 N 0.00 0.91 0.00 4.80 5.08 -1.49 -3.36 114.58 120.51 2vxa h GLU 32 Ca -0.00 -0.08 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 2vxa h GLU 32 Cb 0.72 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2vxa h GLU 32 CO 0.05 0.64 -2.35 -2.37 -1.00 0.00 0.00 179.01 173.98 2vxa n THR 33 N -4.57 1.35 -3.71 1.13 5.66 -1.08 -5.01 114.28 108.05 2vxa n THR 33 Ca 0.05 -0.79 -0.24 0.00 -3.05 0.00 0.00 64.05 60.02 2vxa n THR 33 Cb 0.05 -0.58 -0.01 0.00 -1.55 0.00 0.00 70.33 68.24 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 -5.55 2.96 -0.03 1.09 2.01 0.14 -5.12 118.68 114.17 2vxa s LEU 34 Ca -0.12 -1.05 -0.05 0.00 0.01 0.00 0.00 54.13 52.91 2vxa s LEU 34 Cb 0.06 -1.49 0.01 0.00 0.01 0.00 0.00 46.19 44.78 2vxa s LEU 34 CO 0.77 -0.98 0.13 0.00 1.01 0.00 0.00 176.35 177.27 2vxa s ARG 35 N -4.27 0.29 -0.77 1.70 1.70 -1.26 -4.53 118.95 111.81 2vxa s ARG 35 Ca 0.42 -0.09 -0.01 0.00 -0.47 0.00 0.00 55.73 55.58 2vxa s ARG 35 Cb -0.03 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 2vxa s ARG 35 CO 0.25 -0.06 0.65 0.72 -1.08 0.00 0.00 175.30 175.78 2vxa n HIS 36 N 2.33 -1.47 -1.85 5.89 8.25 -1.26 -4.31 115.22 122.80 2vxa n HIS 36 Ca -0.17 0.59 -0.42 0.00 -0.26 0.00 0.00 57.72 57.46 2vxa n HIS 36 Cb 0.57 -3.81 -0.03 0.00 1.12 0.00 0.00 29.99 27.85 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 -4.76 4.38 -0.10 2.41 1.43 -1.26 -1.51 118.68 119.28 2vxa s LEU 37 Ca 0.09 2.56 -0.06 0.00 -1.03 0.00 0.00 54.13 55.70 2vxa s LEU 37 Cb -0.04 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2vxa s LEU 37 CO 0.45 -0.94 -0.14 0.54 0.23 0.00 0.00 176.35 176.49 2vxa n ARG 38 N 5.97 0.23 -4.09 1.70 5.12 0.14 -4.98 116.66 120.74 2vxa n ARG 38 Ca 0.17 0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 56.08 2vxa n ARG 38 Cb 0.40 -0.89 -0.08 0.00 -1.16 0.00 0.00 32.46 30.73 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 -2.22 0.76 0.13 -1.55 -2.14 -1.15 -5.01 118.94 107.75 2vxa s TRP 39 Ca -0.15 -1.06 -0.03 0.00 2.66 0.00 0.00 56.10 57.52 2vxa s TRP 39 Cb 0.05 -0.23 -0.03 0.00 -3.10 0.00 0.00 33.47 30.16 2vxa s TRP 39 CO 0.19 -0.76 0.11 -0.59 -2.66 0.00 0.00 176.95 173.23 2vxa s PHE 40 N -4.08 0.68 -0.01 1.66 -0.12 -1.26 -0.45 117.98 114.41 2vxa s PHE 40 Ca 0.29 -1.08 -0.00 0.00 -0.05 0.00 0.00 56.93 56.10 2vxa s PHE 40 Cb 0.04 -0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.10 2vxa s PHE 40 CO 0.09 -0.55 0.02 -2.00 -0.05 0.00 0.00 175.22 172.72 2vxa s GLU 41 N -4.01 -0.03 -0.16 1.99 2.12 0.18 -4.96 118.70 113.84 2vxa s GLU 41 Ca 0.20 0.13 -0.29 0.00 0.36 0.00 0.00 54.97 55.37 2vxa s GLU 41 Cb 0.06 -0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 2vxa s GLU 41 CO -0.01 -0.12 1.12 0.08 -0.54 0.00 0.00 175.26 175.79 2vxa s VAL 42 N 0.75 4.53 -0.17 3.70 1.01 -1.26 -0.22 120.40 128.75 2vxa s VAL 42 Ca -0.06 1.84 0.22 0.00 0.00 0.00 0.00 61.98 63.97 2vxa s VAL 42 Cb -0.09 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 2vxa s VAL 42 CO -0.02 -0.10 0.85 0.55 0.00 0.00 0.00 175.10 176.38 2vxa n VAL 43 N 5.07 0.52 -3.65 2.92 3.14 -0.33 -4.94 118.33 121.05 2vxa n VAL 43 Ca 0.12 -0.56 -0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2vxa n VAL 43 Cb 0.46 -0.28 -0.07 0.00 -1.06 0.00 0.00 33.84 32.89 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 -5.17 -0.04 -0.15 6.55 2.15 -1.19 -5.01 116.67 113.80 2vxa s ASP 44 Ca -0.03 0.08 0.01 0.00 0.43 0.00 0.00 52.55 53.04 2vxa s ASP 44 Cb 0.11 0.54 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 2vxa s ASP 44 CO 0.83 -0.01 -0.18 -0.89 -0.17 0.00 0.00 175.17 174.74 2vxa s THR 45 N 0.51 1.83 0.40 1.71 2.01 -1.26 -0.99 115.64 119.85 2vxa s THR 45 Ca -0.00 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2vxa s THR 45 Cb -0.04 -1.67 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 2vxa s THR 45 CO -0.13 0.50 0.18 0.54 -0.69 0.00 0.00 174.62 175.02 2vxa n ARG 46 N 4.53 0.54 -3.59 4.92 1.74 0.76 -5.00 116.66 120.55 2vxa n ARG 46 Ca -0.19 -3.48 -0.05 0.00 -0.77 0.00 0.00 57.85 53.36 2vxa n ARG 46 Cb 0.50 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 -3.51 -0.36 -0.12 -0.13 0.00 -1.26 -0.20 107.32 101.74 2vxa s GLY 47 Ca 0.25 1.05 -0.09 0.00 0.00 0.00 0.00 44.72 45.93 2vxa s GLY 47 CO 0.18 0.33 0.19 -1.58 0.00 0.00 0.00 173.10 172.21 2vxa s HIS 48 N -2.79 3.58 -0.18 1.90 2.46 -0.43 -4.98 115.29 114.85 2vxa s HIS 48 Ca 0.09 0.57 -0.05 0.00 0.47 0.00 0.00 55.06 56.13 2vxa s HIS 48 Cb -0.00 -2.06 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 2vxa s HIS 48 CO -0.05 0.61 0.01 0.42 -2.47 0.00 0.00 174.74 173.26 2vxa s ILE 49 N -0.68 4.22 -0.05 0.89 1.01 -1.26 -1.52 121.20 123.80 2vxa s ILE 49 Ca 0.15 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.59 2vxa s ILE 49 Cb -0.13 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2vxa s ILE 49 CO 0.04 0.46 -0.08 -0.70 0.00 0.00 0.00 174.94 174.66 2vxa s GLU 50 N 0.59 1.22 7.39 2.79 2.56 0.99 -4.91 118.70 129.33 2vxa s GLU 50 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.97 54.72 2vxa s GLU 50 Cb -0.14 -1.08 0.00 0.00 2.00 0.00 0.00 34.13 34.91 2vxa s GLU 50 CO 0.02 -0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.11 2vxa n GLY 51 N 3.88 3.16 1.95 -1.50 0.00 -1.26 -2.18 105.19 109.24 2vxa n GLY 51 Ca -0.24 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 6.23 2.99 -0.02 0.00 -1.26 -5.01 105.19 108.12 2vxa n GLY 52 Ca 0.00 -2.50 -0.09 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.59 0.33 -0.08 1.61 1.70 -0.93 -5.12 118.95 112.88 2vxa s ARG 53 Ca 0.52 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 2vxa s ARG 53 Cb 0.42 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 2vxa s ARG 53 CO 0.03 -0.06 1.58 0.08 -1.08 0.00 0.00 175.30 175.85 2vxa s VAL 54 N -1.56 3.72 -0.22 4.99 1.01 -1.26 -0.01 120.40 127.08 2vxa s VAL 54 Ca -0.15 0.87 0.16 0.00 0.00 0.00 0.00 61.98 62.86 2vxa s VAL 54 Cb -0.09 -3.56 -0.23 0.00 0.00 0.00 0.00 36.38 32.49 2vxa s VAL 54 CO -0.01 -0.08 0.44 -0.46 0.00 0.00 0.00 175.10 174.99 2vxa n ASN 55 N 7.04 1.13 -3.76 3.32 6.94 -0.58 -4.89 115.26 124.46 2vxa n ASN 55 Ca 0.17 -0.24 -0.19 0.00 -0.02 0.00 0.00 54.58 54.29 2vxa n ASN 55 Cb 0.43 1.54 -0.17 0.00 -2.36 0.00 0.00 39.78 39.22 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 -2.96 0.33 -0.17 -2.53 3.76 -1.20 -4.26 115.29 108.26 2vxa s HIS 56 Ca -0.03 0.03 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 2vxa s HIS 56 Cb 0.11 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 2vxa s HIS 56 CO 0.67 -0.20 0.60 -1.58 -0.85 0.00 0.00 174.74 173.38 2vxa s TRP 57 N 1.60 3.41 -0.32 1.40 0.52 0.68 -1.31 118.94 124.93 2vxa s TRP 57 Ca -0.02 0.93 0.01 0.00 0.02 0.00 0.00 56.10 57.05 2vxa s TRP 57 Cb -0.13 -2.75 0.07 0.00 -1.15 0.00 0.00 33.47 29.52 2vxa s TRP 57 CO -0.03 -0.10 0.01 -0.65 0.02 0.00 0.00 176.95 176.21 2vxa s GLN 58 N 1.60 2.07 -0.23 4.98 -0.21 0.72 -1.87 119.66 126.73 2vxa s GLN 58 Ca 0.29 -1.53 -0.06 0.00 0.02 0.00 0.00 55.36 54.07 2vxa s GLN 58 Cb -0.16 -3.17 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 2vxa s GLN 58 CO 0.11 -0.76 0.04 0.08 -2.12 0.00 0.00 175.29 172.64 2vxa s VAL 59 N 1.10 4.17 -0.05 1.09 1.01 -0.67 -0.17 120.40 126.88 2vxa s VAL 59 Ca -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.69 2vxa s VAL 59 Cb -0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2vxa s VAL 59 CO -0.04 0.38 0.21 0.28 0.00 0.00 0.00 175.10 175.92 2vxa s THR 60 N 1.33 5.39 -0.01 3.92 -1.32 -0.16 -1.06 115.64 123.73 2vxa s THR 60 Ca 0.05 0.17 -0.08 0.00 -1.21 0.00 0.00 61.69 60.62 2vxa s THR 60 Cb -0.15 -3.50 0.01 0.00 -1.51 0.00 0.00 72.50 67.35 2vxa s THR 60 CO 0.02 0.48 0.16 0.54 -2.21 0.00 0.00 174.62 173.61 2vxa s VAL 61 N -1.18 0.07 -0.19 5.08 0.11 0.10 -1.19 120.40 123.21 2vxa s VAL 61 Ca 0.22 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 2vxa s VAL 61 Cb -0.13 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2vxa s VAL 61 CO 0.11 -0.32 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.02 2vxa s LYS 62 N -1.17 3.62 -0.16 1.54 1.02 0.70 -1.38 119.74 123.90 2vxa s LYS 62 Ca -0.13 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.32 2vxa s LYS 62 Cb -0.07 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2vxa s LYS 62 CO 0.02 0.06 -0.09 0.08 -0.92 0.00 0.00 175.35 174.49 2vxa s VAL 63 N 0.87 3.24 -0.18 3.17 1.01 0.09 -0.64 120.40 127.96 2vxa s VAL 63 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 2vxa s VAL 63 Cb -0.14 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2vxa s VAL 63 CO 0.02 0.49 0.12 -0.83 0.00 0.00 0.00 175.10 174.90 2vxa s GLY 64 N 0.72 2.04 -0.01 4.51 0.00 0.41 -1.75 107.32 113.24 2vxa s GLY 64 Ca -0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 43.92 2vxa s GLY 64 CO 0.02 0.02 0.13 -0.11 0.00 0.00 0.00 173.10 173.16 2vxa s PHE 65 N 0.07 0.01 0.06 1.90 -0.71 -0.53 -0.69 117.98 118.09 2vxa s PHE 65 Ca 0.09 -0.05 -0.31 0.00 -1.04 0.00 0.00 56.93 55.62 2vxa s PHE 65 Cb -0.11 -0.04 -0.06 0.00 -1.21 0.00 0.00 43.02 41.60 2vxa s PHE 65 CO -0.00 -0.25 1.27 0.99 -1.34 0.00 0.00 175.22 175.89 2vxa s THR 66 N -1.12 3.85 -0.06 -4.49 2.01 -0.57 -1.04 115.64 114.22 2vxa s THR 66 Ca -0.12 1.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.96 2vxa s THR 66 Cb -0.07 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2vxa s THR 66 CO 0.01 0.08 0.66 -0.76 -0.69 0.00 0.00 174.62 173.92 2vxa s LEU 67 N 1.34 4.33 0.00 4.42 1.43 -0.62 -4.73 118.68 124.84 2vxa s LEU 67 Ca 0.60 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2vxa s LEU 67 Cb -0.31 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 42.90 2vxa s LEU 67 CO 0.28 -0.07 0.00 -1.84 0.23 0.00 0.00 176.35 174.96 2vxa n GLU 68 N 3.60 0.00 0.00 1.70 -0.00 -1.26 -4.52 120.64 120.16 2vxa n GLU 68 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 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