#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 2.98 -0.04 2.11 0.00 -1.26 -5.09 115.29 114.00 2vxa s HIS 4 Ca 0.00 1.51 0.03 0.00 -3.00 0.00 0.00 55.06 53.61 2vxa s HIS 4 Cb 0.00 -3.01 0.00 0.00 -4.00 0.00 0.00 32.58 25.57 2vxa s HIS 4 CO 0.00 -1.12 -0.14 0.08 -1.00 0.00 0.00 174.74 172.57 2vxa s VAL 5 N -2.43 1.16 0.11 -5.38 1.01 -1.26 -5.10 120.40 108.50 2vxa s VAL 5 Ca 0.64 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2vxa s VAL 5 Cb -0.16 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2vxa s VAL 5 CO 0.36 0.34 -0.24 -0.31 0.00 0.00 0.00 175.10 175.26 2vxa s TYR 6 N 0.14 2.39 -0.02 5.22 1.51 -1.26 -1.48 117.35 123.85 2vxa s TYR 6 Ca -0.04 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2vxa s TYR 6 Cb -0.11 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 2vxa s TYR 6 CO 0.02 0.32 -0.03 0.21 -1.11 0.00 0.00 175.55 174.95 2vxa s LYS 7 N -1.94 2.72 -0.24 -0.62 2.20 0.11 -4.92 119.74 117.05 2vxa s LYS 7 Ca 0.15 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2vxa s LYS 7 Cb -0.10 -2.61 0.04 0.00 -1.51 0.00 0.00 37.83 33.65 2vxa s LYS 7 CO 0.07 0.63 -0.12 0.42 -0.36 0.00 0.00 175.35 175.99 2vxa s ILE 8 N -0.99 2.33 0.07 5.43 1.01 -1.26 -1.00 121.20 126.79 2vxa s ILE 8 Ca 0.17 -1.30 0.02 0.00 0.00 0.00 0.00 60.65 59.54 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 0.18 0.10 0.68 0.00 0.00 0.00 174.94 175.97 2vxa s VAL 9 N 1.21 4.70 -0.25 2.92 -7.23 -0.65 -4.90 120.40 116.20 2vxa s VAL 9 Ca -0.03 -0.68 -0.10 0.00 -1.81 0.00 0.00 61.98 59.36 2vxa s VAL 9 Cb -0.17 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.45 2vxa s VAL 9 CO -0.07 0.13 0.15 -0.70 -0.31 0.00 0.00 175.10 174.30 2vxa s GLU 10 N -2.39 3.96 0.10 4.82 2.12 -1.26 -0.75 118.70 125.30 2vxa s GLU 10 Ca 0.30 -0.32 0.05 0.00 0.36 0.00 0.00 54.97 55.36 2vxa s GLU 10 Cb -0.12 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2vxa s GLU 10 CO 0.23 -0.02 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.29 2vxa s LEU 11 N 1.27 2.38 -0.15 2.70 1.43 -0.26 -4.97 118.68 121.09 2vxa s LEU 11 Ca 0.07 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2vxa s LEU 11 Cb -0.14 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.67 2vxa s LEU 11 CO 0.06 -0.19 -0.14 0.28 0.23 0.00 0.00 176.35 176.59 2vxa s THR 12 N -2.14 1.56 0.20 5.49 -1.32 -1.26 0.20 115.64 118.37 2vxa s THR 12 Ca 0.05 -0.63 -0.03 0.00 -1.21 0.00 0.00 61.69 59.88 2vxa s THR 12 Cb -0.05 -1.47 -0.05 0.00 -1.51 0.00 0.00 72.50 69.43 2vxa s THR 12 CO 0.02 0.46 0.42 -0.83 -2.21 0.00 0.00 174.62 172.48 2vxa s GLY 13 N 1.49 1.95 0.07 6.08 0.00 -0.42 -4.89 107.32 111.60 2vxa s GLY 13 Ca 0.05 -0.68 0.07 0.00 0.00 0.00 0.00 44.72 44.16 2vxa s GLY 13 CO -0.11 -0.61 -0.20 -0.45 0.00 0.00 0.00 173.10 171.73 2vxa s SER 14 N -2.93 2.43 -0.26 1.64 0.15 -1.25 -1.34 113.70 112.13 2vxa s SER 14 Ca 0.41 -0.58 -0.25 0.00 0.70 0.00 0.00 55.95 56.22 2vxa s SER 14 Cb -0.11 -0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.12 2vxa s SER 14 CO 0.28 0.11 0.84 -0.55 1.20 0.00 0.00 173.24 175.11 2vxa s SER 15 N -1.46 -0.63 0.00 5.45 0.15 -0.74 -4.47 113.70 112.00 2vxa s SER 15 Ca 0.06 1.20 0.26 0.00 0.70 0.00 0.00 55.95 58.17 2vxa s SER 15 Cb -0.09 1.20 1.42 0.00 -1.71 0.00 0.00 66.02 66.84 2vxa s SER 15 CO 0.03 -0.23 1.87 -0.81 1.20 0.00 0.00 173.24 175.30 2vxa n PRO 16 N 2.42 0.61 -0.07 5.44 -0.04 -1.26 -0.30 135.00 141.80 2vxa n PRO 16 Ca -0.14 0.02 -0.06 0.00 -0.04 0.00 0.00 63.50 63.29 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 -1.13 0.84 0.00 3.54 3.02 -1.26 -4.83 115.26 115.43 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 0.14 1.04 0.00 0.00 -0.61 0.00 0.00 39.78 40.35 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 1.89 -0.76 0.14 7.41 0.00 -1.26 -4.98 105.19 107.64 2vxa n GLY 18 Ca -0.24 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 0.78 -0.95 -0.61 2.04 -1.94 -1.88 117.51 114.95 2vxa h ILE 19 Ca 0.00 -1.04 0.11 0.00 1.00 0.00 0.00 64.86 64.92 2vxa h ILE 19 Cb 0.00 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 2vxa h ILE 19 CO 0.00 0.20 0.61 -0.33 0.00 0.00 0.00 178.15 178.63 2vxa h GLU 20 N -0.86 0.92 -0.16 2.37 3.07 -2.00 -1.81 114.58 116.11 2vxa h GLU 20 Ca -0.03 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.72 2vxa h GLU 20 Cb 0.51 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2vxa h GLU 20 CO 0.04 0.61 -0.11 0.93 -1.40 0.00 0.00 179.01 179.08 2vxa h GLU 21 N 0.95 0.36 -0.56 2.33 3.07 -1.93 -1.18 114.58 117.62 2vxa h GLU 21 Ca 0.45 -0.17 0.10 0.00 -0.50 0.00 0.00 59.36 59.24 2vxa h GLU 21 Cb 0.44 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.27 2vxa h GLU 21 CO -0.22 0.70 0.13 0.00 -1.40 0.00 0.00 179.01 178.23 2vxa h ALA 22 N 0.65 0.66 -0.33 3.43 0.00 -0.90 -0.57 119.26 122.21 2vxa h ALA 22 Ca 0.03 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 2vxa h ALA 22 Cb 0.61 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2vxa h ALA 22 CO 0.03 -0.29 -0.48 -0.39 0.00 0.00 0.00 179.25 178.12 2vxa h VAL 23 N 0.27 1.27 -0.75 0.00 -1.51 -1.19 -2.62 116.25 111.73 2vxa h VAL 23 Ca 0.29 -1.65 0.08 0.00 -1.23 0.00 0.00 66.70 64.18 2vxa h VAL 23 Cb 0.40 1.52 -0.06 0.00 -2.13 0.00 0.00 31.29 31.02 2vxa h VAL 23 CO -0.36 0.55 0.42 0.78 -1.23 0.00 0.00 177.57 177.72 2vxa h ASN 24 N 0.71 0.60 -0.64 4.19 -0.26 -1.00 0.31 115.58 119.49 2vxa h ASN 24 Ca 0.03 0.04 0.06 0.00 -0.56 0.00 0.00 56.30 55.87 2vxa h ASN 24 Cb 1.08 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 38.21 2vxa h ASN 24 CO 0.11 0.36 0.35 0.78 -1.06 0.00 0.00 177.43 177.98 2vxa h ASN 25 N 0.73 0.52 -0.55 5.81 -0.26 -1.01 0.34 115.58 121.17 2vxa h ASN 25 Ca 0.35 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 56.06 2vxa h ASN 25 Cb 0.28 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 2vxa h ASN 25 CO -0.22 0.34 0.11 0.00 -1.06 0.00 0.00 177.43 176.60 2vxa h ALA 26 N 1.34 0.73 -0.26 -0.83 0.00 -0.89 -1.07 119.26 118.28 2vxa h ALA 26 Ca 0.29 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2vxa h ALA 26 Cb 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2vxa h ALA 26 CO -0.18 0.45 -0.51 0.82 0.00 0.00 0.00 179.25 179.83 2vxa h ILE 27 N 0.79 1.29 0.17 0.00 2.04 -0.58 -2.02 117.51 119.20 2vxa h ILE 27 Ca 0.17 -1.71 0.01 0.00 1.00 0.00 0.00 64.86 64.33 2vxa h ILE 27 Cb 0.37 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 2vxa h ILE 27 CO 0.01 0.55 -0.26 0.00 0.00 0.00 0.00 178.15 178.44 2vxa h ALA 28 N 0.86 -0.48 0.00 1.87 0.00 -0.17 -0.97 119.26 120.36 2vxa h ALA 28 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2vxa h ALA 28 Cb 1.08 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2vxa h ALA 28 CO 0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 179.25 178.50 2vxa h ARG 29 N -0.50 0.00 -0.16 0.00 2.47 -1.09 -1.45 114.38 113.65 2vxa h ARG 29 Ca 0.02 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.53 2vxa h ARG 29 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2vxa h ARG 29 CO -0.12 0.04 -0.72 0.00 0.56 0.00 0.00 179.97 179.73 2vxa h ALA 30 N 1.96 0.43 -0.62 0.04 0.00 -1.16 -3.28 119.26 116.62 2vxa h ALA 30 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 2vxa h ALA 30 Cb 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2vxa h ALA 30 CO 0.01 0.70 0.28 0.78 0.00 0.00 0.00 179.25 181.01 2vxa h GLY 31 N 0.78 0.95 0.64 0.00 0.00 -0.10 0.33 103.07 105.67 2vxa h GLY 31 Ca -0.03 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 46.91 2vxa h GLY 31 CO 0.14 0.44 0.42 0.83 0.00 0.00 0.00 176.54 178.38 2vxa h GLU 32 N 0.88 0.74 0.00 4.80 5.08 -1.52 -3.34 114.58 121.22 2vxa h GLU 32 Ca 0.21 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.22 2vxa h GLU 32 Cb 0.12 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2vxa h GLU 32 CO -0.02 0.49 -2.15 -2.37 -1.00 0.00 0.00 179.01 173.95 2vxa n THR 33 N -4.75 1.15 -3.51 1.13 5.66 -1.05 -5.00 114.28 107.92 2vxa n THR 33 Ca 0.10 -0.69 -0.21 0.00 -3.05 0.00 0.00 64.05 60.21 2vxa n THR 33 Cb 0.20 -0.62 -0.01 0.00 -1.55 0.00 0.00 70.33 68.35 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 -5.33 3.28 0.01 1.09 2.01 0.11 -5.13 118.68 114.74 2vxa s LEU 34 Ca -0.10 -0.80 0.01 0.00 0.01 0.00 0.00 54.13 53.25 2vxa s LEU 34 Cb 0.05 -1.94 -0.01 0.00 0.01 0.00 0.00 46.19 44.30 2vxa s LEU 34 CO 0.67 -0.80 -0.04 0.00 1.01 0.00 0.00 176.35 177.18 2vxa s ARG 35 N -4.23 0.33 -0.52 1.70 1.70 -1.26 -4.53 118.95 112.14 2vxa s ARG 35 Ca 0.48 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 55.34 2vxa s ARG 35 Cb -0.04 -0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 2vxa s ARG 35 CO 0.28 0.04 0.44 0.72 -1.08 0.00 0.00 175.30 175.70 2vxa n HIS 36 N 2.29 -1.01 -1.96 5.89 8.25 -1.26 -4.30 115.22 123.13 2vxa n HIS 36 Ca -0.18 0.40 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2vxa n HIS 36 Cb 0.57 -3.07 -0.03 0.00 1.12 0.00 0.00 29.99 28.58 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 -3.74 4.35 -0.12 2.41 1.43 -1.26 -1.69 118.68 120.05 2vxa s LEU 37 Ca 0.08 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.45 2vxa s LEU 37 Cb -0.04 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2vxa s LEU 37 CO 0.30 -0.91 -0.22 0.54 0.23 0.00 0.00 176.35 176.30 2vxa n ARG 38 N 6.42 0.35 -4.02 1.70 5.12 0.12 -4.98 116.66 121.37 2vxa n ARG 38 Ca 0.17 0.14 -0.09 0.00 -1.93 0.00 0.00 57.85 56.14 2vxa n ARG 38 Cb 0.42 -1.09 -0.08 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.44 0.53 0.13 -1.55 -2.14 -1.13 -5.01 118.94 107.32 2vxa s TRP 39 Ca -0.21 -0.92 -0.01 0.00 2.66 0.00 0.00 56.10 57.63 2vxa s TRP 39 Cb 0.06 -0.22 -0.04 0.00 -3.10 0.00 0.00 33.47 30.16 2vxa s TRP 39 CO 0.28 -0.60 0.04 -0.59 -2.66 0.00 0.00 176.95 173.42 2vxa s PHE 40 N -3.98 0.85 -0.02 1.66 -0.12 -1.26 0.07 117.98 115.19 2vxa s PHE 40 Ca 0.17 -1.21 -0.00 0.00 -0.05 0.00 0.00 56.93 55.84 2vxa s PHE 40 Cb 0.05 -0.49 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 2vxa s PHE 40 CO -0.02 -0.49 0.03 -2.00 -0.05 0.00 0.00 175.22 172.70 2vxa s GLU 41 N -4.03 -0.04 -0.11 1.99 2.12 0.07 -4.97 118.70 113.74 2vxa s GLU 41 Ca 0.22 0.20 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 2vxa s GLU 41 Cb 0.07 -0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.18 2vxa s GLU 41 CO 0.01 -0.18 1.23 0.08 -0.54 0.00 0.00 175.26 175.86 2vxa s VAL 42 N 1.13 4.26 -0.21 3.70 1.01 -1.26 -0.05 120.40 128.98 2vxa s VAL 42 Ca -0.08 1.56 0.22 0.00 0.00 0.00 0.00 61.98 63.68 2vxa s VAL 42 Cb -0.13 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 2vxa s VAL 42 CO -0.03 -0.06 0.83 0.55 0.00 0.00 0.00 175.10 176.39 2vxa n VAL 43 N 4.96 0.33 -3.65 2.92 3.14 -0.13 -4.93 118.33 120.97 2vxa n VAL 43 Ca 0.12 -0.49 -0.01 0.00 -2.96 0.00 0.00 64.34 61.00 2vxa n VAL 43 Cb 0.46 -0.14 -0.07 0.00 -1.06 0.00 0.00 33.84 33.03 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 -4.86 -0.07 -0.13 6.55 2.15 -1.18 -5.00 116.67 114.12 2vxa s ASP 44 Ca -0.03 0.12 0.01 0.00 0.43 0.00 0.00 52.55 53.09 2vxa s ASP 44 Cb 0.12 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 43.14 2vxa s ASP 44 CO 0.84 -0.02 -0.17 -0.89 -0.17 0.00 0.00 175.17 174.76 2vxa s THR 45 N 0.33 1.72 0.32 1.71 2.01 -1.26 -1.27 115.64 119.20 2vxa s THR 45 Ca 0.03 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.31 2vxa s THR 45 Cb -0.04 -1.56 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2vxa s THR 45 CO -0.14 0.48 0.14 0.54 -0.69 0.00 0.00 174.62 174.95 2vxa n ARG 46 N 4.37 0.59 -3.56 4.92 1.74 0.82 -5.00 116.66 120.54 2vxa n ARG 46 Ca -0.19 -2.78 -0.06 0.00 -0.77 0.00 0.00 57.85 54.05 2vxa n ARG 46 Cb 0.51 1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 33.56 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 -3.01 -0.35 -0.08 -0.13 0.00 -1.26 -0.38 107.32 102.11 2vxa s GLY 47 Ca 0.19 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.26 2vxa s GLY 47 CO 0.14 0.49 0.19 -1.58 0.00 0.00 0.00 173.10 172.34 2vxa s HIS 48 N -2.60 3.61 -0.16 1.90 2.46 -0.32 -4.97 115.29 115.21 2vxa s HIS 48 Ca 0.07 0.59 -0.02 0.00 0.47 0.00 0.00 55.06 56.16 2vxa s HIS 48 Cb -0.01 -1.98 -0.02 0.00 -0.13 0.00 0.00 32.58 30.44 2vxa s HIS 48 CO -0.06 0.71 -0.07 0.42 -2.47 0.00 0.00 174.74 173.26 2vxa s ILE 49 N -1.09 3.45 -0.05 0.89 1.01 -1.26 -1.81 121.20 122.34 2vxa s ILE 49 Ca 0.19 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2vxa s ILE 49 Cb -0.13 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2vxa s ILE 49 CO 0.08 0.48 -0.10 -0.70 0.00 0.00 0.00 174.94 174.71 2vxa s GLU 50 N 0.68 1.34 7.49 2.79 2.56 0.21 -4.90 118.70 128.86 2vxa s GLU 50 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 54.62 2vxa s GLU 50 Cb -0.15 -1.16 0.00 0.00 2.00 0.00 0.00 34.13 34.82 2vxa s GLU 50 CO 0.02 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.15 2vxa n GLY 51 N 3.79 2.78 1.46 -1.50 0.00 -1.26 -1.96 105.19 108.49 2vxa n GLY 51 Ca -0.23 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 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 5.76 3.03 -0.02 0.00 -1.26 -5.03 105.19 107.66 2vxa n GLY 52 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.45 0.44 -0.09 1.61 1.70 -0.83 -5.12 118.95 113.22 2vxa s ARG 53 Ca 0.47 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.63 2vxa s ARG 53 Cb 0.40 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2vxa s ARG 53 CO -0.01 -0.04 1.43 0.08 -1.08 0.00 0.00 175.30 175.69 2vxa s VAL 54 N -2.05 3.91 -0.09 4.99 1.01 -1.26 0.67 120.40 127.57 2vxa s VAL 54 Ca -0.09 1.14 0.14 0.00 0.00 0.00 0.00 61.98 63.17 2vxa s VAL 54 Cb -0.06 -3.74 -0.21 0.00 0.00 0.00 0.00 36.38 32.38 2vxa s VAL 54 CO -0.03 -0.08 0.33 -0.46 0.00 0.00 0.00 175.10 174.87 2vxa n ASN 55 N 6.52 1.72 -3.74 3.32 6.94 -0.75 -4.89 115.26 124.39 2vxa n ASN 55 Ca 0.15 -0.09 -0.19 0.00 -0.02 0.00 0.00 54.58 54.42 2vxa n ASN 55 Cb 0.44 1.56 -0.17 0.00 -2.36 0.00 0.00 39.78 39.24 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 -2.87 0.25 -0.12 -2.53 3.76 -1.22 -4.21 115.29 108.35 2vxa s HIS 56 Ca -0.04 0.09 -0.21 0.00 -0.15 0.00 0.00 55.06 54.76 2vxa s HIS 56 Cb 0.09 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 2vxa s HIS 56 CO 0.57 -0.20 0.60 -1.58 -0.85 0.00 0.00 174.74 173.28 2vxa s TRP 57 N 1.75 3.50 -0.28 1.40 0.52 0.59 -1.17 118.94 125.25 2vxa s TRP 57 Ca 0.00 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.17 2vxa s TRP 57 Cb -0.13 -2.71 0.08 0.00 -1.15 0.00 0.00 33.47 29.56 2vxa s TRP 57 CO -0.03 0.04 -0.02 -0.65 0.02 0.00 0.00 176.95 176.31 2vxa s GLN 58 N 1.04 1.67 -0.24 4.98 -0.21 0.49 -1.80 119.66 125.59 2vxa s GLN 58 Ca 0.31 -1.39 -0.05 0.00 0.02 0.00 0.00 55.36 54.25 2vxa s GLN 58 Cb -0.16 -2.82 -0.00 0.00 1.00 0.00 0.00 33.01 31.02 2vxa s GLN 58 CO 0.13 -0.74 -0.00 0.08 -2.12 0.00 0.00 175.29 172.64 2vxa s VAL 59 N 1.17 3.58 -0.03 1.09 1.01 -0.45 -0.13 120.40 126.64 2vxa s VAL 59 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2vxa s VAL 59 Cb -0.19 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2vxa s VAL 59 CO -0.08 0.31 0.26 0.28 0.00 0.00 0.00 175.10 175.87 2vxa s THR 60 N 1.49 5.31 -0.02 3.92 -1.32 -0.40 -1.30 115.64 123.32 2vxa s THR 60 Ca 0.05 0.33 -0.07 0.00 -1.21 0.00 0.00 61.69 60.79 2vxa s THR 60 Cb -0.15 -3.55 0.01 0.00 -1.51 0.00 0.00 72.50 67.30 2vxa s THR 60 CO -0.01 0.49 0.14 0.54 -2.21 0.00 0.00 174.62 173.57 2vxa s VAL 61 N -1.17 0.05 -0.21 5.08 0.11 0.13 -0.96 120.40 123.44 2vxa s VAL 61 Ca 0.23 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 2vxa s VAL 61 Cb -0.14 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2vxa s VAL 61 CO 0.12 -0.24 0.04 -0.54 -3.33 0.00 0.00 175.10 171.15 2vxa s LYS 62 N -0.85 3.75 -0.17 1.54 1.02 0.92 -1.10 119.74 124.85 2vxa s LYS 62 Ca -0.09 -0.45 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 2vxa s LYS 62 Cb -0.05 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2vxa s LYS 62 CO 0.01 0.04 -0.04 0.08 -0.92 0.00 0.00 175.35 174.51 2vxa s VAL 63 N 0.99 3.74 -0.18 3.17 1.01 0.07 -0.75 120.40 128.45 2vxa s VAL 63 Ca 0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 2vxa s VAL 63 Cb -0.14 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2vxa s VAL 63 CO 0.03 0.48 0.11 -0.83 0.00 0.00 0.00 175.10 174.88 2vxa s GLY 64 N 0.59 2.02 -0.01 4.51 0.00 0.11 -1.64 107.32 112.91 2vxa s GLY 64 Ca -0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 44.72 43.93 2vxa s GLY 64 CO 0.03 0.02 0.12 -0.11 0.00 0.00 0.00 173.10 173.16 2vxa s PHE 65 N 0.10 0.01 0.03 1.90 -0.71 -0.17 -0.70 117.98 118.45 2vxa s PHE 65 Ca 0.08 -0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 55.63 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 -0.23 1.31 0.99 -1.34 0.00 0.00 175.22 175.95 2vxa s THR 66 N -1.03 3.80 -0.14 -4.49 2.01 -0.68 -0.71 115.64 114.40 2vxa s THR 66 Ca -0.11 1.24 -0.21 0.00 0.31 0.00 0.00 61.69 62.92 2vxa s THR 66 Cb -0.06 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2vxa s THR 66 CO 0.01 0.05 0.61 -0.76 -0.69 0.00 0.00 174.62 173.84 2vxa s LEU 67 N 1.70 4.23 0.00 4.42 1.43 -0.55 -4.73 118.68 125.17 2vxa s LEU 67 Ca 0.61 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 2vxa s LEU 67 Cb -0.31 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.02 2vxa s LEU 67 CO 0.27 -0.16 0.00 -1.84 0.23 0.00 0.00 176.35 174.86 2vxa n GLU 68 N 4.32 0.00 0.00 1.70 -0.00 -1.26 -4.54 120.64 120.86 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