#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxj s TRP 2 N 0.00 0.25 -0.08 0.00 -0.00 0.33 -4.96 118.94 114.48 2vxj s TRP 2 Ca 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 56.10 55.91 2vxj s TRP 2 Cb 0.00 -0.16 0.04 0.00 -0.00 0.00 0.00 33.47 33.35 2vxj s TRP 2 CO 0.00 -0.04 0.16 0.21 -0.00 0.00 0.00 176.95 177.28 2vxj s LYS 3 N -0.42 0.07 0.00 5.86 2.20 -1.26 -0.96 119.74 125.23 2vxj s LYS 3 Ca -0.03 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 2vxj s LYS 3 Cb -0.03 -0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 2vxj s LYS 3 CO -0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 2vxj n GLY 4 N 4.74 2.33 3.21 5.54 0.00 -0.84 -5.01 105.19 115.14 2vxj n GLY 4 Ca -0.16 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 2vxj n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vxj s GLU 5 N -0.75 1.12 -0.27 1.61 0.41 -1.26 -1.80 118.70 117.77 2vxj s GLU 5 Ca 0.00 -0.91 0.03 0.00 -0.41 0.00 0.00 54.97 53.68 2vxj s GLU 5 Cb 0.00 -1.22 0.07 0.00 -1.78 0.00 0.00 34.13 31.20 2vxj s GLU 5 CO 0.00 0.30 -0.07 0.08 -0.49 0.00 0.00 175.26 175.08 2vxj s VAL 6 N -0.92 2.07 0.12 2.63 1.01 -0.18 -4.93 120.40 120.20 2vxj s VAL 6 Ca 0.04 -1.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.05 2vxj s VAL 6 Cb -0.09 -2.26 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 2vxj s VAL 6 CO 0.02 -0.14 0.93 -0.76 0.00 0.00 0.00 175.10 175.15 2vxj s LEU 7 N 1.12 4.51 0.51 3.92 1.02 -1.26 -1.35 118.68 127.15 2vxj s LEU 7 Ca -0.05 1.76 0.20 0.00 0.02 0.00 0.00 54.13 56.06 2vxj s LEU 7 Cb -0.20 -3.53 1.28 0.00 0.02 0.00 0.00 46.19 43.76 2vxj s LEU 7 CO -0.06 -0.02 2.04 0.00 0.02 0.00 0.00 176.35 178.32 2vxj h ALA 8 N 5.41 2.25 -0.22 4.21 0.00 -1.66 -1.79 119.26 127.46 2vxj h ALA 8 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2vxj h ALA 8 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2vxj h ALA 8 CO 0.71 -0.36 0.00 0.27 0.00 0.00 0.00 179.25 179.87 2vxj n ASN 9 N -4.44 2.29 -4.50 0.00 6.94 -1.26 -4.75 115.26 109.54 2vxj n ASN 9 Ca 0.06 -1.81 -0.42 0.00 -0.02 0.00 0.00 54.58 52.39 2vxj n ASN 9 Cb 0.41 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.66 2vxj n ASN 9 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2vxj s ASN 10 N -1.58 6.52 0.36 0.53 3.84 -0.68 -4.72 114.94 119.22 2vxj s ASN 10 Ca 0.34 -1.66 0.09 0.00 0.21 0.00 0.00 52.86 51.84 2vxj s ASN 10 Cb 0.19 -2.48 0.68 0.00 -0.55 0.00 0.00 41.25 39.09 2vxj s ASN 10 CO 0.28 -1.31 1.84 -0.08 -2.79 0.00 0.00 177.10 175.05 2vxj h GLU 11 N 9.34 0.22 0.00 0.43 4.81 -1.87 -2.69 114.58 124.82 2vxj h GLU 11 Ca 0.13 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2vxj h GLU 11 Cb 1.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2vxj h GLU 11 CO 1.25 0.45 -0.41 0.00 -0.73 0.00 0.00 179.01 179.57 2vxj h ALA 12 N 1.56 1.12 0.00 2.92 0.00 -1.97 -3.50 119.26 119.39 2vxj h ALA 12 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2vxj h ALA 12 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2vxj h ALA 12 CO 0.04 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2vxj n GLY 13 N -0.03 0.33 3.48 0.00 0.00 -1.02 -4.95 105.19 103.00 2vxj n GLY 13 Ca -0.01 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2vxj n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2vxj s GLN 14 N -2.77 3.10 -0.02 1.61 2.00 0.20 -4.90 119.66 118.89 2vxj s GLN 14 Ca 0.00 -0.92 -0.30 0.00 -2.00 0.00 0.00 55.36 52.14 2vxj s GLN 14 Cb 0.00 -3.94 -0.04 0.00 0.80 0.00 0.00 33.01 29.84 2vxj s GLN 14 CO 0.00 -0.68 1.15 0.08 -0.50 0.00 0.00 175.29 175.35 2vxj s VAL 15 N 1.70 4.33 0.72 1.34 1.01 -1.26 -1.18 120.40 127.06 2vxj s VAL 15 Ca 0.05 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 2vxj s VAL 15 Cb -0.19 -4.06 0.15 0.00 0.00 0.00 0.00 36.38 32.28 2vxj s VAL 15 CO 0.10 0.05 0.98 0.35 0.00 0.00 0.00 175.10 176.58 2vxj n THR 16 N 4.35 0.00 1.39 3.92 -2.24 -0.52 -4.97 114.28 116.21 2vxj n THR 16 Ca 0.10 -1.42 0.12 0.00 -2.27 0.00 0.00 64.05 60.57 2vxj n THR 16 Cb 0.47 -0.99 0.46 0.00 -2.10 0.00 0.00 70.33 68.17 2vxj n THR 16 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2vxj n SER 17 N -3.02 1.46 -4.71 3.42 3.41 -1.26 -4.79 113.62 108.13 2vxj n SER 17 Ca 0.16 -1.59 -0.38 0.00 -0.26 0.00 0.00 58.87 56.79 2vxj n SER 17 Cb 0.56 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 2vxj n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vxj s ILE 18 N -1.88 5.17 -0.29 -1.33 -1.09 -1.26 -5.02 121.20 115.50 2vxj s ILE 18 Ca 0.35 0.97 -0.03 0.00 -2.23 0.00 0.00 60.65 59.71 2vxj s ILE 18 Cb 0.19 -3.83 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2vxj s ILE 18 CO 0.29 0.30 0.01 -0.63 -1.23 0.00 0.00 174.94 173.69 2vxj s ILE 19 N 0.75 3.27 -0.09 2.92 1.01 -1.26 -1.43 121.20 126.38 2vxj s ILE 19 Ca 0.26 -1.08 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 2vxj s ILE 19 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 2vxj s ILE 19 CO 0.10 0.03 1.31 -0.47 0.00 0.00 0.00 174.94 175.91 2vxj s TYR 20 N 1.35 2.87 0.11 3.97 5.04 0.40 -4.89 117.35 126.20 2vxj s TYR 20 Ca -0.01 0.96 0.08 0.00 -2.44 0.00 0.00 57.07 55.66 2vxj s TYR 20 Cb -0.18 -3.55 -0.04 0.00 0.35 0.00 0.00 41.96 38.54 2vxj s TYR 20 CO -0.01 -1.92 -0.14 -0.80 -1.34 0.00 0.00 175.55 171.33 2vxj s ASN 21 N 1.94 4.12 0.16 4.32 0.01 -1.26 -0.41 114.94 123.81 2vxj s ASN 21 Ca 0.58 -0.48 -0.34 0.00 -0.71 0.00 0.00 52.86 51.92 2vxj s ASN 21 Cb -0.25 -0.68 -0.16 0.00 0.41 0.00 0.00 41.25 40.57 2vxj s ASN 21 CO 0.20 0.18 1.26 -2.65 -1.51 0.00 0.00 177.10 174.58 2vxj n PRO 22 N 0.77 1.32 0.00 -0.60 -0.02 -1.26 -0.90 135.00 134.30 2vxj n PRO 22 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2vxj n PRO 22 Cb 0.52 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2vxj n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vxj n GLY 23 N 2.25 1.83 3.75 -1.23 0.00 -1.26 -5.04 105.19 105.48 2vxj n GLY 23 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2vxj n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vxj s ASP 24 N -2.63 5.25 -0.15 1.61 1.01 -0.08 -4.93 116.67 116.75 2vxj s ASP 24 Ca 0.00 2.71 0.00 0.00 0.71 0.00 0.00 52.55 55.98 2vxj s ASP 24 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 2vxj s ASP 24 CO 0.00 -1.58 -0.16 -0.69 0.21 0.00 0.00 175.17 172.96 2vxj s VAL 25 N -1.34 2.66 0.16 -1.27 1.01 -1.26 -4.51 120.40 115.86 2vxj s VAL 25 Ca 0.72 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.03 2vxj s VAL 25 Cb -0.39 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2vxj s VAL 25 CO 0.46 0.52 -0.22 0.27 0.00 0.00 0.00 175.10 176.12 2vxj s ILE 26 N 0.76 2.04 -0.05 2.22 -4.36 -0.20 0.18 121.20 121.78 2vxj s ILE 26 Ca -0.06 -1.86 0.05 0.00 -0.26 0.00 0.00 60.65 58.52 2vxj s ILE 26 Cb -0.15 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 2vxj s ILE 26 CO 0.01 -0.14 -0.21 -0.89 0.24 0.00 0.00 174.94 173.95 2vxj s THR 27 N -1.60 1.72 -0.05 8.37 2.01 -0.17 -0.69 115.64 125.23 2vxj s THR 27 Ca 0.15 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.34 2vxj s THR 27 Cb -0.08 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 2vxj s THR 27 CO 0.07 0.49 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.62 2vxj s ILE 28 N -0.04 1.92 -0.10 1.82 1.01 -0.27 -1.21 121.20 124.33 2vxj s ILE 28 Ca -0.04 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.62 2vxj s ILE 28 Cb -0.13 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.74 2vxj s ILE 28 CO 0.03 0.54 -0.12 -0.69 0.00 0.00 0.00 174.94 174.70 2vxj s VAL 29 N -0.19 1.25 0.03 2.92 1.01 -0.52 -1.58 120.40 123.32 2vxj s VAL 29 Ca -0.02 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2vxj s VAL 29 Cb -0.13 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2vxj s VAL 29 CO 0.03 0.39 -0.25 0.00 0.00 0.00 0.00 175.10 175.27 2vxj s ALA 30 N 1.12 2.28 0.08 5.51 0.00 -0.23 -0.86 121.76 129.66 2vxj s ALA 30 Ca -0.05 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.61 2vxj s ALA 30 Cb -0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2vxj s ALA 30 CO -0.02 0.54 0.15 0.00 0.00 0.00 0.00 175.76 176.42 2vxj s ALA 31 N -0.77 -0.10 0.00 0.00 0.00 0.05 -4.77 121.76 116.17 2vxj s ALA 31 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2vxj s ALA 31 Cb -0.10 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2vxj s ALA 31 CO 0.02 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2vxj n GLY 32 N -0.02 0.30 2.94 0.00 0.00 -1.26 -0.51 105.19 106.64 2vxj n GLY 32 Ca -0.15 -2.29 -0.16 0.00 0.00 0.00 0.00 46.02 43.42 2vxj n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vxj s TRP 33 N -0.09 0.46 0.12 1.61 0.52 -1.22 -4.09 118.94 116.25 2vxj s TRP 33 Ca 0.00 -0.09 -0.20 0.00 0.02 0.00 0.00 56.10 55.84 2vxj s TRP 33 Cb 0.00 -0.33 0.05 0.00 -1.15 0.00 0.00 33.47 32.04 2vxj s TRP 33 CO 0.00 -0.03 0.50 0.00 0.02 0.00 0.00 176.95 177.43 2vxj s ALA 34 N 0.07 -1.25 0.03 0.98 0.00 -0.74 -2.40 121.76 118.44 2vxj s ALA 34 Ca -0.00 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.25 2vxj s ALA 34 Cb -0.04 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2vxj s ALA 34 CO -0.00 -0.67 -0.09 0.45 0.00 0.00 0.00 175.76 175.45 2vxj s SER 35 N -2.63 1.01 -0.01 0.00 0.15 0.32 -0.30 113.70 112.24 2vxj s SER 35 Ca 0.01 -0.38 0.09 0.00 0.70 0.00 0.00 55.95 56.36 2vxj s SER 35 Cb 0.00 -0.04 0.27 0.00 -1.71 0.00 0.00 66.02 64.54 2vxj s SER 35 CO -0.11 -0.05 1.19 0.00 1.20 0.00 0.00 173.24 175.47 2vxj n TYR 36 N 2.06 0.45 0.00 3.44 4.11 -1.26 -1.20 117.16 124.76 2vxj n TYR 36 Ca -0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 57.90 57.51 2vxj n TYR 36 Cb 0.56 -0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 2vxj n TYR 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2vxj n GLY 37 N 0.88 1.19 3.47 -7.48 0.00 -1.25 -4.55 105.19 97.45 2vxj n GLY 37 Ca 0.10 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2vxj n GLY 37 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vxj n PRO 38 N 0.00 -0.73 0.19 1.61 -0.02 -1.26 -4.91 135.00 129.88 2vxj n PRO 38 Ca 0.00 -0.17 0.04 0.00 -2.02 0.00 0.00 63.50 61.35 2vxj n PRO 38 Cb 0.00 -2.00 0.39 0.00 -0.02 0.00 0.00 33.50 31.88 2vxj n PRO 38 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2vxj h THR 39 N -1.83 1.13 -4.16 3.45 1.35 -2.01 -3.44 112.91 107.40 2vxj h THR 39 Ca -0.46 -1.24 -0.51 0.00 -0.55 0.00 0.00 66.41 63.64 2vxj h THR 39 Cb 1.29 1.69 0.10 0.00 -1.73 0.00 0.00 68.15 69.51 2vxj h THR 39 CO 0.38 0.34 0.40 -1.58 -0.25 0.00 0.00 175.52 174.81 2vxj s GLN 40 N -4.09 2.91 0.13 4.72 0.74 -1.26 -5.07 119.66 117.74 2vxj s GLN 40 Ca -0.02 1.50 0.08 0.00 0.05 0.00 0.00 55.36 56.97 2vxj s GLN 40 Cb 0.14 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 2vxj s GLN 40 CO 0.70 -1.18 -0.19 0.15 -0.55 0.00 0.00 175.29 174.22 2vxj s LYS 41 N -3.82 1.18 0.13 1.67 1.02 -1.26 -4.61 119.74 114.04 2vxj s LYS 41 Ca 0.70 -1.27 0.06 0.00 0.02 0.00 0.00 55.97 55.48 2vxj s LYS 41 Cb -0.22 -1.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 2vxj s LYS 41 CO 0.37 0.29 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.37 2vxj s TRP 42 N -1.58 1.42 0.56 3.18 0.51 0.59 -4.85 118.94 118.77 2vxj s TRP 42 Ca 0.10 -0.56 -0.09 0.00 -2.12 0.00 0.00 56.10 53.43 2vxj s TRP 42 Cb -0.08 -0.74 0.13 0.00 -0.81 0.00 0.00 33.47 31.97 2vxj s TRP 42 CO 0.05 0.15 0.65 0.41 -0.51 0.00 0.00 176.95 177.71 2vxj n GLY 43 N 0.48 -1.78 0.00 0.98 0.00 -1.26 -1.79 105.19 101.82 2vxj n GLY 43 Ca -0.15 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.28 2vxj n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vxj n PRO 44 N -2.74 0.06 0.00 1.61 -0.04 -1.26 -1.30 135.00 131.32 2vxj n PRO 44 Ca 0.08 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 2vxj n PRO 44 Cb 0.30 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.83 2vxj n PRO 44 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2vxj n GLN 45 N -1.36 0.18 0.00 0.54 6.02 -1.26 -1.04 117.38 120.47 2vxj n GLN 45 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2vxj n GLN 45 Cb 0.05 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2vxj n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vxj n GLY 46 N 1.43 0.13 3.23 1.08 0.00 -0.42 -4.29 105.19 106.35 2vxj n GLY 46 Ca 0.09 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2vxj n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vxj s ASP 47 N -4.00 5.28 0.14 1.61 2.15 0.95 -4.54 116.67 118.26 2vxj s ASP 47 Ca 0.00 -1.36 0.21 0.00 0.43 0.00 0.00 52.55 51.83 2vxj s ASP 47 Cb 0.00 -1.85 0.86 0.00 -0.30 0.00 0.00 42.92 41.62 2vxj s ASP 47 CO 0.00 -0.38 1.65 -2.11 -0.17 0.00 0.00 175.17 174.16 2vxj n ARG 48 N 4.76 0.12 0.02 4.34 1.85 -1.26 -2.70 116.66 123.78 2vxj n ARG 48 Ca -0.11 0.31 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 2vxj n ARG 48 Cb 0.44 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 2vxj n ARG 48 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2vxj n GLU 49 N -1.92 0.26 -2.88 2.89 1.02 -1.26 -4.97 120.64 113.78 2vxj n GLU 49 Ca 0.03 -0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 2vxj n GLU 49 Cb 0.24 -1.57 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 2vxj n GLU 49 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2vxj s HIS 50 N -3.18 3.77 0.63 -0.32 2.46 -1.10 -5.05 115.29 112.50 2vxj s HIS 50 Ca 0.04 1.61 -0.15 0.00 0.47 0.00 0.00 55.06 57.02 2vxj s HIS 50 Cb 0.15 -2.92 -0.01 0.00 -0.13 0.00 0.00 32.58 29.67 2vxj s HIS 50 CO 0.81 0.24 1.09 -1.25 -2.47 0.00 0.00 174.74 173.16 2vxj s PRO 51 N -0.03 3.02 -0.57 2.88 0.04 -1.26 -4.70 135.00 134.38 2vxj s PRO 51 Ca 0.42 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 2vxj s PRO 51 Cb -0.22 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.37 2vxj s PRO 51 CO 0.26 -1.06 1.18 0.34 0.04 0.00 0.00 177.00 177.76 2vxj s ASP 52 N -2.71 6.47 -0.34 6.66 -1.08 -1.26 -4.88 116.67 119.54 2vxj s ASP 52 Ca 0.65 0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.93 2vxj s ASP 52 Cb -0.18 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.36 2vxj s ASP 52 CO 0.40 -1.45 1.71 0.00 0.52 0.00 0.00 175.17 176.35 2vxj n GLN 53 N 8.36 2.71 0.00 4.34 6.02 -1.26 -4.81 117.38 132.73 2vxj n GLN 53 Ca 0.09 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.01 2vxj n GLN 53 Cb 0.49 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.69 2vxj n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vxj n GLY 54 N -0.74 0.93 3.76 1.08 0.00 -1.26 -4.97 105.19 104.00 2vxj n GLY 54 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 2vxj n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vxj s LEU 55 N 0.00 3.60 0.49 0.99 1.43 -1.26 -4.08 118.68 119.84 2vxj s LEU 55 Ca 0.00 2.23 0.19 0.00 -1.03 0.00 0.00 54.13 55.53 2vxj s LEU 55 Cb 0.00 -4.58 1.24 0.00 0.03 0.00 0.00 46.19 42.87 2vxj s LEU 55 CO 0.00 -1.55 2.06 0.16 0.23 0.00 0.00 176.35 177.25 2vxj h ILE 56 N 0.68 0.91 -3.25 -0.59 3.07 -1.79 -3.38 117.51 113.16 2vxj h ILE 56 Ca -0.49 -0.46 -0.60 0.00 1.55 0.00 0.00 64.86 64.85 2vxj h ILE 56 Cb 1.27 1.26 -0.36 0.00 -0.27 0.00 0.00 36.82 38.72 2vxj h ILE 56 CO 0.55 0.12 -0.82 0.00 -1.05 0.00 0.00 178.15 176.95 2vxj n HIS 58 N 4.74 0.00 -0.42 0.00 8.25 -1.26 -3.53 115.22 123.00 2vxj n HIS 58 Ca -0.16 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.42 2vxj n HIS 58 Cb 0.48 -0.16 0.34 0.00 1.12 0.00 0.00 29.99 31.77 2vxj n HIS 58 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2vxj n ASP 59 N -0.83 4.15 -4.10 0.41 8.00 -1.26 -4.92 116.55 118.00 2vxj n ASP 59 Ca 0.14 -2.09 -0.08 0.00 0.71 0.00 0.00 54.79 53.48 2vxj n ASP 59 Cb 0.29 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 2vxj n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vxj s ALA 60 N -1.18 0.57 0.62 2.24 0.00 -1.23 -4.81 121.76 117.97 2vxj s ALA 60 Ca 0.50 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2vxj s ALA 60 Cb 0.27 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 2vxj s ALA 60 CO 0.32 -0.39 1.06 -0.06 0.00 0.00 0.00 175.76 176.69 2vxj s PHE 61 N -3.94 2.95 0.04 0.00 0.08 -1.26 -4.89 117.98 110.96 2vxj s PHE 61 Ca 0.10 1.50 -0.35 0.00 0.12 0.00 0.00 56.93 58.31 2vxj s PHE 61 Cb 0.08 -3.01 -0.14 0.00 -0.57 0.00 0.00 43.02 39.38 2vxj s PHE 61 CO -0.08 -1.21 1.63 0.00 -0.10 0.00 0.00 175.22 175.46 2vxj n GLY 63 N 3.58 0.78 3.89 0.00 0.00 -0.16 -0.04 105.19 113.24 2vxj n GLY 63 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2vxj n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxj s ALA 64 N -2.18 3.41 -0.08 4.61 0.00 -0.83 -3.40 121.76 123.29 2vxj s ALA 64 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 2vxj s ALA 64 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2vxj s ALA 64 CO 0.00 -0.07 0.68 -1.17 0.00 0.00 0.00 175.76 175.20 2vxj s LEU 65 N -4.05 4.31 0.35 0.00 2.96 -0.20 -0.13 118.68 121.90 2vxj s LEU 65 Ca 0.49 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 2vxj s LEU 65 Cb -0.10 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 2vxj s LEU 65 CO 0.35 -0.11 0.10 0.68 -1.32 0.00 0.00 176.35 176.05 2vxj s VAL 66 N 0.84 0.78 0.08 1.68 -7.23 0.41 -0.96 120.40 115.99 2vxj s VAL 66 Ca 0.36 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2vxj s VAL 66 Cb -0.17 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2vxj s VAL 66 CO 0.17 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 175.01 2vxj s MET 67 N -3.84 0.73 0.08 4.82 0.23 -0.47 -0.47 119.30 120.39 2vxj s MET 67 Ca 0.32 -1.18 0.10 0.00 -1.03 0.00 0.00 55.69 53.89 2vxj s MET 67 Cb 0.06 0.25 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 2vxj s MET 67 CO 0.15 -0.18 -0.26 0.15 -2.03 0.00 0.00 175.02 172.85 2vxj s LYS 68 N -3.93 1.60 -0.25 3.16 1.02 0.86 -1.06 119.74 121.14 2vxj s LYS 68 Ca 0.09 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 54.87 2vxj s LYS 68 Cb 0.07 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 2vxj s LYS 68 CO -0.08 0.48 -0.06 0.42 -0.92 0.00 0.00 175.35 175.18 2vxj s ILE 69 N -0.92 2.86 0.00 2.17 1.01 -1.26 -0.67 121.20 124.40 2vxj s ILE 69 Ca 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2vxj s ILE 69 Cb -0.10 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2vxj s ILE 69 CO 0.04 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2vxj n GLY 70 N 4.67 3.58 1.38 6.18 0.00 0.12 -1.71 105.19 119.41 2vxj n GLY 70 Ca -0.17 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 45.89 2vxj n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vxj n ASN 71 N 5.06 4.06 -4.58 1.61 0.23 -1.26 -4.86 115.26 115.51 2vxj n ASN 71 Ca 0.00 -2.42 -0.32 0.00 -0.53 0.00 0.00 54.58 51.31 2vxj n ASN 71 Cb 0.00 -0.54 0.14 0.00 -2.08 0.00 0.00 39.78 37.30 2vxj n ASN 71 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2vxj n SER 72 N 0.81 -0.38 -4.15 0.53 3.41 -0.69 -5.02 113.62 108.13 2vxj n SER 72 Ca 0.21 0.43 -0.29 0.00 -0.26 0.00 0.00 58.87 58.96 2vxj n SER 72 Cb 0.78 -1.39 0.23 0.00 -0.26 0.00 0.00 64.21 63.57 2vxj n SER 72 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2vxj s GLY 73 N -2.29 1.55 0.35 5.00 0.00 -1.26 -4.65 107.32 106.02 2vxj s GLY 73 Ca 0.65 -0.67 -0.28 0.00 0.00 0.00 0.00 44.72 44.42 2vxj s GLY 73 CO 0.60 0.12 1.21 -0.51 0.00 0.00 0.00 173.10 174.52 2vxj s THR 74 N -2.88 3.04 -0.10 0.90 -4.23 -1.26 -4.65 115.64 106.46 2vxj s THR 74 Ca 0.69 0.98 0.02 0.00 -1.18 0.00 0.00 61.69 62.19 2vxj s THR 74 Cb -0.15 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.11 2vxj s THR 74 CO 0.58 0.18 -0.16 -0.63 -0.54 0.00 0.00 174.62 174.05 2vxj s ILE 75 N -1.24 1.53 0.34 2.99 1.01 -0.23 -4.97 121.20 120.64 2vxj s ILE 75 Ca 0.51 -0.68 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 2vxj s ILE 75 Cb -0.35 -1.38 -0.11 0.00 0.01 0.00 0.00 42.46 40.63 2vxj s ILE 75 CO 0.45 0.45 1.53 -2.65 0.00 0.00 0.00 174.94 174.72 2vxj n PRO 76 N 4.05 2.69 -0.07 2.79 -0.02 -1.26 -1.36 135.00 141.82 2vxj n PRO 76 Ca -0.20 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2vxj n PRO 76 Cb 0.52 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 2vxj n PRO 76 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2vxj n VAL 77 N 1.15 0.80 -0.56 -1.45 0.31 -0.63 -4.85 118.33 113.11 2vxj n VAL 77 Ca 0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2vxj n VAL 77 Cb 0.38 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 2vxj n VAL 77 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2vxj n ASN 78 N -3.20 0.00 0.21 4.52 3.02 -0.14 -1.75 115.26 117.93 2vxj n ASN 78 Ca -0.26 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.44 2vxj n ASN 78 Cb 0.74 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 40.62 2vxj n ASN 78 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2vxj h THR 79 N 0.00 0.00 0.00 3.41 1.35 -1.87 -3.42 112.91 112.38 2vxj h THR 79 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2vxj h THR 79 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2vxj h THR 79 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2vxj n GLY 80 N -0.54 1.25 2.91 5.82 0.00 -0.72 -1.07 105.19 112.85 2vxj n GLY 80 Ca -0.00 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 2vxj n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vxj s LEU 81 N 0.00 1.42 -0.31 0.99 1.43 -0.62 -4.94 118.68 116.65 2vxj s LEU 81 Ca 0.00 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2vxj s LEU 81 Cb 0.00 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.75 2vxj s LEU 81 CO 0.00 -0.03 0.12 0.12 0.23 0.00 0.00 176.35 176.79 2vxj s PHE 82 N 0.80 3.18 -1.12 0.29 5.36 -1.26 -1.11 117.98 124.11 2vxj s PHE 82 Ca -0.11 -0.90 -0.26 0.00 -0.96 0.00 0.00 56.93 54.70 2vxj s PHE 82 Cb -0.14 -2.31 0.03 0.00 -0.34 0.00 0.00 43.02 40.26 2vxj s PHE 82 CO 0.01 -0.57 0.69 0.54 -1.46 0.00 0.00 175.22 174.43 2vxj n ARG 83 N 4.91 -0.66 -4.18 10.12 1.74 -1.03 -4.93 116.66 122.63 2vxj n ARG 83 Ca -0.14 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 56.90 2vxj n ARG 83 Cb 0.48 -2.85 -0.08 0.00 -1.02 0.00 0.00 32.46 28.99 2vxj n ARG 83 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2vxj s TRP 84 N -3.41 3.25 -0.08 -1.55 -0.00 0.14 -4.80 118.94 112.49 2vxj s TRP 84 Ca 0.40 0.21 0.02 0.00 -0.00 0.00 0.00 56.10 56.73 2vxj s TRP 84 Cb -0.20 -1.76 -0.02 0.00 -0.00 0.00 0.00 33.47 31.49 2vxj s TRP 84 CO 0.93 0.53 -0.14 0.08 -0.00 0.00 0.00 176.95 178.36 2vxj s VAL 85 N -1.09 3.07 0.26 5.86 1.01 -1.26 -1.04 120.40 127.21 2vxj s VAL 85 Ca 0.19 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2vxj s VAL 85 Cb -0.12 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 2vxj s VAL 85 CO 0.10 0.57 1.24 0.00 0.00 0.00 0.00 175.10 177.01 2vxj s ALA 86 N -0.34 3.48 0.58 5.51 0.00 -1.26 -5.02 121.76 124.71 2vxj s ALA 86 Ca 0.03 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 2vxj s ALA 86 Cb -0.13 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2vxj s ALA 86 CO 0.02 -0.46 1.02 -1.25 0.00 0.00 0.00 175.76 175.09 2vxj s PRO 87 N -1.00 3.71 3.91 0.00 0.04 -1.26 -4.78 135.00 135.61 2vxj s PRO 87 Ca 0.51 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2vxj s PRO 87 Cb -0.36 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2vxj s PRO 87 CO 0.43 -0.48 0.00 0.09 0.04 0.00 0.00 177.00 177.09 2vxj n ASN 88 N -2.34 0.00 -2.99 6.66 3.02 -1.26 -2.83 115.26 115.52 2vxj n ASN 88 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 2vxj n ASN 88 Cb 0.54 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.75 2vxj n ASN 88 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2vxj n ASN 89 N -2.17 7.45 -4.67 6.41 3.02 -1.26 -4.95 115.26 119.09 2vxj n ASN 89 Ca 0.00 -3.82 -0.39 0.00 -0.03 0.00 0.00 54.58 50.34 2vxj n ASN 89 Cb 0.00 -1.07 -0.07 0.00 -0.61 0.00 0.00 39.78 38.03 2vxj n ASN 89 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2vxj s VAL 90 N -5.01 5.15 -0.07 2.41 1.01 -1.13 -5.01 120.40 117.75 2vxj s VAL 90 Ca 0.51 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 2vxj s VAL 90 Cb 0.41 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 33.11 2vxj s VAL 90 CO -0.38 0.22 0.97 0.00 0.00 0.00 0.00 175.10 175.91 2vxj s GLN 91 N 1.42 0.68 0.00 2.72 -2.07 -1.26 -4.83 119.66 116.31 2vxj s GLN 91 Ca 0.22 -0.17 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 2vxj s GLN 91 Cb -0.15 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 2vxj s GLN 91 CO 0.09 -0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 2vxj n GLY 92 N 0.00 0.39 3.74 2.60 0.00 0.45 -3.33 105.19 109.03 2vxj n GLY 92 Ca -0.07 -2.24 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 2vxj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxj s ALA 93 N -1.82 3.77 -0.25 4.61 0.00 -1.26 -0.45 121.76 126.35 2vxj s ALA 93 Ca 0.00 1.49 -0.28 0.00 0.00 0.00 0.00 51.96 53.17 2vxj s ALA 93 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.49 2vxj s ALA 93 CO 0.00 -0.89 1.00 0.42 0.00 0.00 0.00 175.76 176.29 2vxj s ILE 94 N 0.45 4.68 -0.10 0.00 1.01 -0.51 0.15 121.20 126.88 2vxj s ILE 94 Ca 0.66 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 63.16 2vxj s ILE 94 Cb -0.46 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.69 2vxj s ILE 94 CO 0.41 -0.22 -0.06 -0.89 0.00 0.00 0.00 174.94 174.17 2vxj s THR 95 N 3.21 3.72 -0.06 2.92 2.01 0.16 -1.44 115.64 126.16 2vxj s THR 95 Ca 0.42 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2vxj s THR 95 Cb -0.14 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2vxj s THR 95 CO 0.08 0.56 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.73 2vxj s LEU 96 N -0.33 3.07 -0.07 4.42 1.43 -0.32 -0.10 118.68 126.78 2vxj s LEU 96 Ca 0.05 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2vxj s LEU 96 Cb -0.12 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2vxj s LEU 96 CO 0.02 0.36 0.18 -0.63 0.23 0.00 0.00 176.35 176.52 2vxj s ILE 97 N -0.79 -0.01 0.22 -0.59 1.01 0.38 0.60 121.20 122.01 2vxj s ILE 97 Ca 0.12 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2vxj s ILE 97 Cb -0.11 -0.27 -0.09 0.00 0.01 0.00 0.00 42.46 42.00 2vxj s ILE 97 CO 0.01 0.02 1.31 -0.47 0.00 0.00 0.00 174.94 175.82 2vxj s TYR 98 N 0.42 3.23 -0.41 3.97 5.04 -1.26 -0.44 117.35 127.89 2vxj s TYR 98 Ca -0.03 1.23 -0.26 0.00 -2.44 0.00 0.00 57.07 55.57 2vxj s TYR 98 Cb -0.04 -3.62 0.02 0.00 0.35 0.00 0.00 41.96 38.67 2vxj s TYR 98 CO -0.02 -1.91 0.96 1.21 -1.34 0.00 0.00 175.55 174.45 2vxj s ASN 99 N 0.23 6.62 0.32 4.32 2.47 0.81 -4.90 114.94 124.81 2vxj s ASN 99 Ca 0.56 0.42 -0.12 0.00 0.42 0.00 0.00 52.86 54.15 2vxj s ASN 99 Cb -0.37 -2.47 0.02 0.00 -1.45 0.00 0.00 41.25 36.97 2vxj s ASN 99 CO 0.40 -0.98 0.59 -0.62 -3.72 0.00 0.00 177.10 172.78 2vxj s ASP 100 N 2.08 0.21 0.06 -4.21 -1.08 -1.26 -0.99 116.67 111.47 2vxj s ASP 100 Ca 0.39 -1.11 -0.30 0.00 -0.52 0.00 0.00 52.55 51.01 2vxj s ASP 100 Cb -0.11 0.70 -0.05 0.00 -1.46 0.00 0.00 42.92 42.01 2vxj s ASP 100 CO 0.23 -1.37 1.05 -0.69 0.52 0.00 0.00 175.17 174.91 2vxj s VAL 101 N -3.25 4.47 0.33 1.11 1.01 -1.26 -2.09 120.40 120.72 2vxj s VAL 101 Ca 0.21 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.77 2vxj s VAL 101 Cb -0.03 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 32.04 2vxj s VAL 101 CO 0.13 0.19 1.21 -2.65 0.00 0.00 0.00 175.10 173.97 2vxj n PRO 102 N 3.52 1.89 -0.00 2.72 -0.02 -1.26 -1.91 135.00 139.93 2vxj n PRO 102 Ca 0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2vxj n PRO 102 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2vxj n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2vxj n GLY 103 N 0.90 2.11 0.48 -1.23 0.00 -1.26 -4.88 105.19 101.31 2vxj n GLY 103 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2vxj n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2vxj n THR 104 N -2.00 1.70 0.34 2.61 -2.24 -0.80 -4.62 114.28 109.26 2vxj n THR 104 Ca 0.00 -1.65 0.13 0.00 -2.27 0.00 0.00 64.05 60.26 2vxj n THR 104 Cb 0.00 0.03 0.37 0.00 -2.10 0.00 0.00 70.33 68.64 2vxj n THR 104 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2vxj h TYR 105 N 1.09 0.00 0.00 4.78 -1.99 -1.90 -3.36 116.97 115.58 2vxj h TYR 105 Ca 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2vxj h TYR 105 Cb 1.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 2vxj h TYR 105 CO 0.23 0.00 -0.02 0.78 -0.00 0.00 0.00 178.16 179.15 2vxj h GLY 106 N 3.47 0.00 -1.53 3.88 0.00 -1.85 -1.83 103.07 105.22 2vxj h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vxj h GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2vxj n ASN 107 N -4.24 2.48 -4.83 0.19 6.94 -1.26 -4.98 115.26 109.56 2vxj n ASN 107 Ca -0.03 -1.86 -0.32 0.00 -0.02 0.00 0.00 54.58 52.35 2vxj n ASN 107 Cb 0.10 -0.19 -0.01 0.00 -2.36 0.00 0.00 39.78 37.32 2vxj n ASN 107 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2vxj s ASN 108 N -1.46 6.29 0.20 0.53 0.01 -0.69 -3.88 114.94 115.95 2vxj s ASN 108 Ca 0.35 1.62 -0.05 0.00 -0.71 0.00 0.00 52.86 54.07 2vxj s ASN 108 Cb 0.19 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2vxj s ASN 108 CO 0.28 -0.82 0.23 -0.94 -1.51 0.00 0.00 177.10 174.33 2vxj s SER 109 N -3.16 0.10 0.06 -1.22 1.04 -0.34 -4.45 113.70 105.72 2vxj s SER 109 Ca 0.60 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2vxj s SER 109 Cb -0.12 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2vxj s SER 109 CO 0.37 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2vxj n GLY 110 N -0.27 -2.07 3.53 7.32 0.00 -1.26 -0.52 105.19 111.92 2vxj n GLY 110 Ca -0.01 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 2vxj n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vxj s SER 111 N -3.66 -0.31 -0.06 1.61 1.04 -1.01 -2.08 113.70 109.23 2vxj s SER 111 Ca 0.00 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 2vxj s SER 111 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 2vxj s SER 111 CO 0.00 -0.56 -0.00 -0.36 0.98 0.00 0.00 173.24 173.30 2vxj s PHE 112 N -2.99 3.13 -0.14 5.02 0.08 -0.46 -3.43 117.98 119.19 2vxj s PHE 112 Ca 0.06 0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.11 2vxj s PHE 112 Cb -0.01 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 2vxj s PHE 112 CO -0.08 0.46 0.40 0.45 -0.10 0.00 0.00 175.22 176.35 2vxj s SER 113 N -1.07 6.56 -0.02 1.36 0.15 0.33 -1.01 113.70 120.01 2vxj s SER 113 Ca 0.15 0.66 0.02 0.00 0.70 0.00 0.00 55.95 57.48 2vxj s SER 113 Cb -0.11 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 61.97 2vxj s SER 113 CO 0.04 0.03 -0.06 -0.69 1.20 0.00 0.00 173.24 173.77 2vxj s VAL 114 N 0.65 0.53 -0.14 4.45 1.01 -0.74 -0.77 120.40 125.39 2vxj s VAL 114 Ca 0.22 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2vxj s VAL 114 Cb -0.14 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2vxj s VAL 114 CO 0.07 0.19 -0.04 0.20 0.00 0.00 0.00 175.10 175.52 2vxj s ASN 115 N 0.40 4.80 -0.08 3.32 0.01 -0.04 -1.99 114.94 121.36 2vxj s ASN 115 Ca -0.05 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.05 2vxj s ASN 115 Cb -0.09 -1.69 -0.00 0.00 0.41 0.00 0.00 41.25 39.88 2vxj s ASN 115 CO 0.00 0.21 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.94 2vxj s ILE 116 N 0.13 1.94 0.15 0.60 1.01 -0.14 -1.43 121.20 123.46 2vxj s ILE 116 Ca -0.01 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.72 2vxj s ILE 116 Cb -0.14 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 2vxj s ILE 116 CO 0.03 0.54 -0.11 -0.83 0.00 0.00 0.00 174.94 174.56 2vxj s GLY 117 N 0.19 1.11 -0.14 6.18 0.00 -0.35 -0.51 107.32 113.79 2vxj s GLY 117 Ca -0.13 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.00 2vxj s GLY 117 CO 0.06 -1.55 0.29 0.54 0.00 0.00 0.00 173.10 172.45 2vxj s LYS 118 N -3.49 4.16 0.79 2.90 1.02 -1.26 -1.00 119.74 122.86 2vxj s LYS 118 Ca 0.15 0.11 -0.05 0.00 0.02 0.00 0.00 55.97 56.21 2vxj s LYS 118 Cb 0.00 -3.39 0.15 0.00 -0.52 0.00 0.00 37.83 34.08 2vxj s LYS 118 CO 0.02 0.32 1.08 -0.51 -0.92 0.00 0.00 175.35 175.35 2vxj s ASP 119 N 0.20 4.01 0.42 2.83 1.01 0.13 -4.94 116.67 120.33 2vxj s ASP 119 Ca 0.17 -0.21 -0.25 0.00 0.71 0.00 0.00 52.55 52.98 2vxj s ASP 119 Cb -0.13 -0.08 -0.08 0.00 1.01 0.00 0.00 42.92 43.64 2vxj s ASP 119 CO 0.05 -2.10 1.18 -1.10 0.21 0.00 0.00 175.17 173.41 2vxj s GLN 120 N -5.34 3.96 0.00 8.23 -0.21 -1.26 -4.58 119.66 120.46 2vxj s GLN 120 Ca 0.68 1.86 0.00 0.00 0.02 0.00 0.00 55.36 57.92 2vxj s GLN 120 Cb -0.05 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2vxj s GLN 120 CO 0.47 -0.41 0.00 -1.13 -2.12 0.00 0.00 175.29 172.10