#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 1.03 -0.02 0.00 -0.00 -0.12 -4.99 118.94 114.84 2vxj s TRP 2 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 56.10 55.87 2vxj s TRP 2 Cb 0.00 -0.65 0.02 0.00 -0.00 0.00 0.00 33.47 32.84 2vxj s TRP 2 CO 0.00 -0.01 0.01 0.21 -0.00 0.00 0.00 176.95 177.16 2vxj s LYS 3 N -0.51 0.12 0.02 5.86 2.20 -1.26 -0.90 119.74 125.26 2vxj s LYS 3 Ca 0.03 0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.61 2vxj s LYS 3 Cb -0.05 -0.28 0.04 0.00 -1.51 0.00 0.00 37.83 36.02 2vxj s LYS 3 CO -0.00 -0.10 0.48 0.41 -0.36 0.00 0.00 175.35 175.79 2vxj n GLY 4 N 3.82 0.65 3.72 5.54 0.00 -0.73 -5.02 105.19 113.18 2vxj n GLY 4 Ca -0.23 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.01 2.97 -0.30 1.61 2.02 -1.26 -0.64 118.70 121.08 2vxj s GLU 5 Ca 0.11 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.57 2vxj s GLU 5 Cb -0.01 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2vxj s GLU 5 CO 0.01 0.66 0.05 0.08 0.02 0.00 0.00 175.26 176.08 2vxj s VAL 6 N -1.06 3.54 0.24 2.63 1.01 -0.08 -4.93 120.40 121.75 2vxj s VAL 6 Ca 0.18 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 2vxj s VAL 6 Cb -0.12 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2vxj s VAL 6 CO 0.09 -0.03 1.02 -0.76 0.00 0.00 0.00 175.10 175.42 2vxj s LEU 7 N 1.39 4.59 0.47 3.92 1.02 -1.26 -1.56 118.68 127.25 2vxj s LEU 7 Ca -0.01 2.08 0.12 0.00 0.02 0.00 0.00 54.13 56.35 2vxj s LEU 7 Cb -0.18 -3.61 1.08 0.00 0.02 0.00 0.00 46.19 43.49 2vxj s LEU 7 CO 0.01 -0.01 2.10 0.00 0.02 0.00 0.00 176.35 178.47 2vxj h ALA 8 N 4.19 1.86 -0.28 4.21 0.00 -1.31 -2.09 119.26 125.84 2vxj h ALA 8 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2vxj h ALA 8 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2vxj h ALA 8 CO 0.68 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.33 2vxj n ASN 9 N -4.50 2.18 -4.47 0.00 6.94 -1.26 -4.74 115.26 109.41 2vxj n ASN 9 Ca -0.00 -1.85 -0.43 0.00 -0.02 0.00 0.00 54.58 52.28 2vxj n ASN 9 Cb 0.08 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.30 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 -1.39 6.63 0.25 0.53 3.84 -0.79 -4.73 114.94 119.28 2vxj s ASN 10 Ca 0.32 -1.98 -0.06 0.00 0.21 0.00 0.00 52.86 51.35 2vxj s ASN 10 Cb 0.18 -2.43 0.28 0.00 -0.55 0.00 0.00 41.25 38.73 2vxj s ASN 10 CO 0.25 -1.13 1.93 -0.08 -2.79 0.00 0.00 177.10 175.28 2vxj h GLU 11 N 8.92 1.30 0.00 0.43 4.81 -1.87 -2.09 114.58 126.08 2vxj h GLU 11 Ca 0.18 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2vxj h GLU 11 Cb 1.01 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2vxj h GLU 11 CO 1.18 0.86 -0.29 0.00 -0.73 0.00 0.00 179.01 180.03 2vxj h ALA 12 N 1.38 1.17 0.00 2.92 0.00 -1.97 -3.49 119.26 119.27 2vxj h ALA 12 Ca 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vxj h ALA 12 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2vxj h ALA 12 CO -0.09 0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.93 2vxj n GLY 13 N -0.20 0.45 3.44 0.00 0.00 -0.79 -4.92 105.19 103.18 2vxj n GLY 13 Ca -0.01 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.88 2.96 0.31 1.61 2.00 0.12 -4.90 119.66 119.88 2vxj s GLN 14 Ca 0.00 -1.11 -0.29 0.00 -2.00 0.00 0.00 55.36 51.96 2vxj s GLN 14 Cb 0.00 -4.00 -0.10 0.00 0.80 0.00 0.00 33.01 29.71 2vxj s GLN 14 CO 0.00 -0.81 1.28 0.54 -0.50 0.00 0.00 175.29 175.79 2vxj s VAL 15 N 1.66 2.87 0.42 1.34 0.11 -1.26 -1.24 120.40 124.31 2vxj s VAL 15 Ca 0.05 0.86 0.08 0.00 -2.93 0.00 0.00 61.98 60.03 2vxj s VAL 15 Cb -0.20 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.08 2vxj s VAL 15 CO 0.09 0.20 0.38 0.42 -3.33 0.00 0.00 175.10 172.86 2vxj s THR 16 N -1.05 2.60 -1.55 5.04 -4.23 -0.61 -4.93 115.64 110.91 2vxj s THR 16 Ca 0.49 -1.35 0.24 0.00 -1.18 0.00 0.00 61.69 59.89 2vxj s THR 16 Cb -0.38 -2.95 0.49 0.00 1.34 0.00 0.00 72.50 70.99 2vxj s THR 16 CO 0.50 0.00 1.82 -1.54 -0.54 0.00 0.00 174.62 174.86 2vxj n SER 17 N -1.57 0.00 -4.65 3.99 3.41 -1.26 -4.65 113.62 108.89 2vxj n SER 17 Ca 0.03 -0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 2vxj n SER 17 Cb 0.62 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.45 4.86 -0.36 -1.33 -1.09 -1.26 -5.02 121.20 114.55 2vxj s ILE 18 Ca 0.26 1.58 -0.10 0.00 -2.23 0.00 0.00 60.65 60.16 2vxj s ILE 18 Cb 0.16 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2vxj s ILE 18 CO 0.35 -0.03 0.19 -0.63 -1.23 0.00 0.00 174.94 173.59 2vxj s ILE 19 N 2.54 4.50 -0.15 2.92 -1.09 -1.26 -1.15 121.20 127.51 2vxj s ILE 19 Ca 0.36 -0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 2vxj s ILE 19 Cb -0.16 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2vxj s ILE 19 CO 0.09 -0.18 1.65 -0.47 -1.23 0.00 0.00 174.94 174.80 2vxj s TYR 20 N 1.55 2.02 0.12 3.97 6.14 -0.00 -4.88 117.35 126.27 2vxj s TYR 20 Ca 0.02 0.40 0.07 0.00 0.64 0.00 0.00 57.07 58.20 2vxj s TYR 20 Cb -0.19 -3.94 -0.04 0.00 0.42 0.00 0.00 41.96 38.21 2vxj s TYR 20 CO 0.06 -3.36 -0.06 -0.80 0.64 0.00 0.00 175.55 172.03 2vxj s ASN 21 N 3.99 4.59 0.01 4.32 0.01 -1.26 -1.11 114.94 125.49 2vxj s ASN 21 Ca 0.73 -0.36 -0.38 0.00 -0.71 0.00 0.00 52.86 52.14 2vxj s ASN 21 Cb -0.29 -0.94 -0.18 0.00 0.41 0.00 0.00 41.25 40.26 2vxj s ASN 21 CO 0.29 0.15 1.28 -2.65 -1.51 0.00 0.00 177.10 174.67 2vxj n PRO 22 N 0.44 0.71 0.00 -0.60 -0.02 -1.26 -0.47 135.00 133.80 2vxj n PRO 22 Ca -0.12 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2vxj n PRO 22 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.34 2.18 3.76 -1.23 0.00 -1.26 -5.04 105.19 105.94 2vxj n GLY 23 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.57 5.82 -0.08 1.61 1.01 0.38 -4.93 116.67 117.90 2vxj s ASP 24 Ca 0.00 2.51 0.02 0.00 0.71 0.00 0.00 52.55 55.78 2vxj s ASP 24 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2vxj s ASP 24 CO 0.00 -1.17 -0.12 -0.69 0.21 0.00 0.00 175.17 173.39 2vxj s VAL 25 N -1.43 3.18 0.08 -1.27 1.01 -1.26 -4.54 120.40 116.16 2vxj s VAL 25 Ca 0.66 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2vxj s VAL 25 Cb -0.34 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2vxj s VAL 25 CO 0.41 0.56 -0.08 0.27 0.00 0.00 0.00 175.10 176.26 2vxj s ILE 26 N -0.31 0.74 -0.02 2.22 -4.36 -0.43 -0.56 121.20 118.48 2vxj s ILE 26 Ca 0.03 -1.55 0.05 0.00 -0.26 0.00 0.00 60.65 58.92 2vxj s ILE 26 Cb -0.13 -1.22 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 2vxj s ILE 26 CO 0.03 -0.59 -0.17 -0.89 0.24 0.00 0.00 174.94 173.56 2vxj s THR 27 N -2.45 1.33 -0.07 8.37 2.01 -0.18 -0.56 115.64 124.10 2vxj s THR 27 Ca 0.02 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.35 2vxj s THR 27 Cb -0.03 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2vxj s THR 27 CO -0.01 0.38 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.52 2vxj s ILE 28 N -0.27 1.30 -0.11 1.82 1.01 -0.12 -1.14 121.20 123.68 2vxj s ILE 28 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2vxj s ILE 28 Cb -0.08 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.24 2vxj s ILE 28 CO 0.00 0.39 -0.18 -0.69 0.00 0.00 0.00 174.94 174.46 2vxj s VAL 29 N 0.54 1.70 -0.03 2.92 1.01 -0.70 -1.93 120.40 123.91 2vxj s VAL 29 Ca -0.14 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.13 2vxj s VAL 29 Cb -0.16 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2vxj s VAL 29 CO 0.04 0.48 -0.24 0.00 0.00 0.00 0.00 175.10 175.39 2vxj s ALA 30 N 0.78 1.99 0.07 5.51 0.00 -0.00 -0.89 121.76 129.21 2vxj s ALA 30 Ca -0.10 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2vxj s ALA 30 Cb -0.16 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2vxj s ALA 30 CO 0.01 0.46 -0.03 0.00 0.00 0.00 0.00 175.76 176.20 2vxj s ALA 31 N -0.44 0.64 0.00 0.00 0.00 0.97 -4.75 121.76 118.18 2vxj s ALA 31 Ca 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2vxj s ALA 31 Cb -0.10 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2vxj s ALA 31 CO 0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2vxj n GLY 32 N 0.06 0.52 2.93 0.00 0.00 -1.26 0.07 105.19 107.50 2vxj n GLY 32 Ca -0.13 -2.18 -0.18 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.72 0.62 0.19 1.61 0.52 -1.16 -4.19 118.94 115.81 2vxj s TRP 33 Ca 0.00 -0.14 -0.10 0.00 0.02 0.00 0.00 56.10 55.88 2vxj s TRP 33 Cb 0.00 -0.49 -0.01 0.00 -1.15 0.00 0.00 33.47 31.82 2vxj s TRP 33 CO 0.00 -0.09 0.33 0.00 0.02 0.00 0.00 176.95 177.21 2vxj s ALA 34 N 0.39 -0.04 0.00 0.98 0.00 -0.43 -2.55 121.76 120.11 2vxj s ALA 34 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2vxj s ALA 34 Cb -0.09 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 2vxj s ALA 34 CO -0.00 -0.70 -0.02 0.45 0.00 0.00 0.00 175.76 175.49 2vxj s SER 35 N -2.98 0.26 0.00 0.00 0.15 0.74 -0.62 113.70 111.25 2vxj s SER 35 Ca 0.19 -0.09 0.19 0.00 0.70 0.00 0.00 55.95 56.94 2vxj s SER 35 Cb 0.02 -0.01 0.73 0.00 -1.71 0.00 0.00 66.02 65.05 2vxj s SER 35 CO 0.03 -0.01 1.52 0.00 1.20 0.00 0.00 173.24 175.98 2vxj n TYR 36 N 2.86 0.21 0.00 3.44 4.11 -1.26 -1.39 117.16 125.12 2vxj n TYR 36 Ca -0.14 -0.10 0.00 0.00 -0.00 0.00 0.00 57.90 57.66 2vxj n TYR 36 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 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 1.05 1.75 3.64 -7.48 0.00 -1.25 -4.54 105.19 98.37 2vxj n GLY 37 Ca 0.15 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2vxj n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2vxj s PRO 38 N 0.00 0.65 0.29 1.61 0.02 -1.26 -4.95 135.00 131.37 2vxj s PRO 38 Ca 0.00 1.40 -0.00 0.00 0.02 0.00 0.00 61.00 62.42 2vxj s PRO 38 Cb 0.00 -1.70 0.50 0.00 0.02 0.00 0.00 34.50 33.32 2vxj s PRO 38 CO 0.00 -2.84 1.91 1.15 -0.33 0.00 0.00 177.00 176.89 2vxj h THR 39 N -2.01 1.07 -3.61 0.99 2.02 -2.01 -3.44 112.91 105.92 2vxj h THR 39 Ca -0.47 -0.37 -0.47 0.00 0.77 0.00 0.00 66.41 65.88 2vxj h THR 39 Cb 1.28 -0.09 0.21 0.00 -1.74 0.00 0.00 68.15 67.81 2vxj h THR 39 CO 0.43 0.19 0.08 -1.10 0.37 0.00 0.00 175.52 175.50 2vxj s GLN 40 N -5.94 -0.29 0.06 6.66 -0.21 -1.26 -5.07 119.66 113.61 2vxj s GLN 40 Ca -0.12 1.11 0.04 0.00 0.02 0.00 0.00 55.36 56.41 2vxj s GLN 40 Cb 0.20 -1.61 -0.03 0.00 1.00 0.00 0.00 33.01 32.57 2vxj s GLN 40 CO 0.80 -3.38 -0.11 0.15 -2.12 0.00 0.00 175.29 170.63 2vxj s LYS 41 N -4.51 0.69 0.17 2.91 1.02 -1.26 -4.63 119.74 114.12 2vxj s LYS 41 Ca 0.68 -0.89 0.09 0.00 0.02 0.00 0.00 55.97 55.86 2vxj s LYS 41 Cb -0.24 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 2vxj s LYS 41 CO 0.62 0.11 -0.19 -1.58 -0.92 0.00 0.00 175.35 173.40 2vxj s TRP 42 N -1.48 1.85 0.51 3.18 0.51 0.21 -4.87 118.94 118.85 2vxj s TRP 42 Ca -0.05 -0.46 -0.09 0.00 -2.12 0.00 0.00 56.10 53.39 2vxj s TRP 42 Cb -0.09 -0.92 0.12 0.00 -0.81 0.00 0.00 33.47 31.77 2vxj s TRP 42 CO 0.01 0.34 0.58 0.41 -0.51 0.00 0.00 176.95 177.78 2vxj n GLY 43 N 0.30 -1.82 0.00 0.98 0.00 -1.26 -1.31 105.19 102.07 2vxj n GLY 43 Ca -0.13 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.33 2vxj n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vxj n PRO 44 N -2.63 0.04 0.01 1.61 -0.02 -1.26 -0.99 135.00 131.77 2vxj n PRO 44 Ca 0.08 0.31 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 2vxj n PRO 44 Cb 0.27 -1.50 0.55 0.00 -0.02 0.00 0.00 33.50 32.81 2vxj n PRO 44 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2vxj n GLN 45 N -1.44 0.04 0.00 -0.52 6.02 -1.26 -1.16 117.38 119.05 2vxj n GLN 45 Ca 0.03 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2vxj n GLN 45 Cb 0.09 -1.54 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 1.47 -1.41 3.38 1.08 0.00 -0.16 -4.36 105.19 105.20 2vxj n GLY 46 Ca 0.07 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 6.01 0.00 1.61 -1.08 0.46 -4.61 116.67 115.06 2vxj s ASP 47 Ca 0.00 -1.24 0.27 0.00 -0.52 0.00 0.00 52.55 51.06 2vxj s ASP 47 Cb 0.00 -2.13 1.24 0.00 -1.46 0.00 0.00 42.92 40.57 2vxj s ASP 47 CO 0.00 -0.56 1.89 -2.11 0.52 0.00 0.00 175.17 174.90 2vxj n ARG 48 N 5.12 0.18 0.04 4.34 1.85 -1.26 -3.03 116.66 123.89 2vxj n ARG 48 Ca -0.12 0.04 0.11 0.00 -1.00 0.00 0.00 57.85 56.88 2vxj n ARG 48 Cb 0.44 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.40 0.38 -3.01 2.89 1.02 -1.26 -4.97 120.64 114.29 2vxj n GLU 49 Ca 0.09 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.83 2vxj n GLU 49 Cb 0.27 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 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 -3.26 3.67 0.47 -0.32 2.46 -1.17 -5.04 115.29 112.10 2vxj s HIS 50 Ca 0.02 1.38 -0.23 0.00 0.47 0.00 0.00 55.06 56.70 2vxj s HIS 50 Cb 0.13 -2.81 -0.07 0.00 -0.13 0.00 0.00 32.58 29.70 2vxj s HIS 50 CO 0.81 0.20 1.21 -1.25 -2.47 0.00 0.00 174.74 173.24 2vxj s PRO 51 N 0.31 3.69 -0.38 2.88 0.04 -1.26 -4.74 135.00 135.53 2vxj s PRO 51 Ca 0.38 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 2vxj s PRO 51 Cb -0.19 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 31.93 2vxj s PRO 51 CO 0.21 -0.64 1.37 0.34 0.04 0.00 0.00 177.00 178.32 2vxj s ASP 52 N -1.23 6.44 -0.28 6.66 -1.08 -1.26 -4.90 116.67 121.03 2vxj s ASP 52 Ca 0.64 0.91 0.11 0.00 -0.52 0.00 0.00 52.55 53.69 2vxj s ASP 52 Cb -0.31 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.17 2vxj s ASP 52 CO 0.38 -1.33 1.54 0.00 0.52 0.00 0.00 175.17 176.28 2vxj n GLN 53 N 7.86 2.47 0.00 4.34 6.02 -1.26 -4.86 117.38 131.95 2vxj n GLN 53 Ca 0.16 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 2vxj n GLN 53 Cb 0.48 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 -0.81 1.24 3.71 1.08 0.00 -1.26 -5.02 105.19 104.12 2vxj n GLY 54 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 3.14 0.56 0.99 1.43 -1.26 -4.30 118.68 119.24 2vxj s LEU 55 Ca 0.00 2.30 0.31 0.00 -1.03 0.00 0.00 54.13 55.71 2vxj s LEU 55 Cb 0.00 -4.58 1.66 0.00 0.03 0.00 0.00 46.19 43.30 2vxj s LEU 55 CO 0.00 -2.57 2.15 0.16 0.23 0.00 0.00 176.35 176.31 2vxj h ILE 56 N -0.88 0.44 -3.32 -0.59 3.07 -1.69 -3.38 117.51 111.17 2vxj h ILE 56 Ca -0.46 -0.35 -0.53 0.00 1.55 0.00 0.00 64.86 65.08 2vxj h ILE 56 Cb 1.29 1.24 -0.39 0.00 -0.27 0.00 0.00 36.82 38.69 2vxj h ILE 56 CO 0.47 0.07 -0.78 0.00 -1.05 0.00 0.00 178.15 176.86 2vxj n HIS 58 N 4.97 0.00 -0.61 0.00 8.25 -1.26 -3.45 115.22 123.12 2vxj n HIS 58 Ca -0.10 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.46 2vxj n HIS 58 Cb 0.48 -0.41 0.36 0.00 1.12 0.00 0.00 29.99 31.54 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 -1.41 4.78 -3.89 0.41 8.00 -1.26 -4.93 116.55 118.25 2vxj n ASP 59 Ca 0.09 -2.41 -0.09 0.00 0.71 0.00 0.00 54.79 53.10 2vxj n ASP 59 Cb 0.27 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 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 -1.78 -0.12 0.70 2.24 0.00 -1.22 -4.84 121.76 116.74 2vxj s ALA 60 Ca 0.52 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2vxj s ALA 60 Cb 0.33 0.56 0.01 0.00 0.00 0.00 0.00 23.12 24.03 2vxj s ALA 60 CO 0.26 -0.53 1.06 -0.06 0.00 0.00 0.00 175.76 176.49 2vxj s PHE 61 N -3.89 3.08 0.21 0.00 0.08 -1.26 -4.89 117.98 111.32 2vxj s PHE 61 Ca 0.08 1.42 -0.31 0.00 0.12 0.00 0.00 56.93 58.23 2vxj s PHE 61 Cb 0.05 -2.90 -0.11 0.00 -0.57 0.00 0.00 43.02 39.49 2vxj s PHE 61 CO -0.08 -1.28 1.59 0.00 -0.10 0.00 0.00 175.22 175.35 2vxj n GLY 63 N 3.28 0.71 3.87 0.00 0.00 -0.03 -0.40 105.19 112.62 2vxj n GLY 63 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.54 3.28 -0.04 4.61 0.00 -0.65 -3.64 121.76 122.78 2vxj s ALA 64 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 2vxj s ALA 64 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 2vxj s ALA 64 CO 0.00 -0.13 0.88 -1.17 0.00 0.00 0.00 175.76 175.35 2vxj s LEU 65 N -4.05 4.33 0.38 0.00 2.96 -0.31 -0.45 118.68 121.52 2vxj s LEU 65 Ca 0.53 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 55.94 2vxj s LEU 65 Cb -0.10 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2vxj s LEU 65 CO 0.34 -0.24 0.10 0.68 -1.32 0.00 0.00 176.35 175.90 2vxj s VAL 66 N 1.13 0.83 0.15 1.68 -7.23 0.25 -0.64 120.40 116.56 2vxj s VAL 66 Ca 0.46 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 2vxj s VAL 66 Cb -0.19 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2vxj s VAL 66 CO 0.23 0.00 0.24 0.00 -0.31 0.00 0.00 175.10 175.26 2vxj s MET 67 N -3.80 1.08 0.08 4.82 0.23 -0.34 -0.60 119.30 120.78 2vxj s MET 67 Ca 0.28 -1.17 0.07 0.00 -1.03 0.00 0.00 55.69 53.85 2vxj s MET 67 Cb 0.05 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.67 2vxj s MET 67 CO 0.14 -0.38 -0.19 0.15 -2.03 0.00 0.00 175.02 172.71 2vxj s LYS 68 N -3.96 1.12 -0.20 3.16 1.02 -0.49 -0.27 119.74 120.12 2vxj s LYS 68 Ca 0.16 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.11 2vxj s LYS 68 Cb 0.04 -1.31 0.03 0.00 -0.52 0.00 0.00 37.83 36.07 2vxj s LYS 68 CO -0.02 0.31 -0.18 0.42 -0.92 0.00 0.00 175.35 174.97 2vxj s ILE 69 N -1.08 2.08 0.00 2.17 1.01 -1.26 -0.89 121.20 123.23 2vxj s ILE 69 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.59 2vxj s ILE 69 Cb -0.10 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.41 2vxj s ILE 69 CO 0.03 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2vxj n GLY 70 N 4.57 3.05 0.06 6.18 0.00 -0.37 -1.33 105.19 117.35 2vxj n GLY 70 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 3.14 0.11 -4.82 1.61 6.94 -1.26 -4.92 115.26 116.05 2vxj n ASN 71 Ca 0.00 -1.77 -0.30 0.00 -0.02 0.00 0.00 54.58 52.49 2vxj n ASN 71 Cb 0.00 -0.05 0.07 0.00 -2.36 0.00 0.00 39.78 37.43 2vxj n ASN 71 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2vxj s SER 72 N -1.00 5.01 1.20 0.53 1.04 -0.44 -5.06 113.70 114.97 2vxj s SER 72 Ca 0.00 1.41 -0.19 0.00 0.48 0.00 0.00 55.95 57.65 2vxj s SER 72 Cb 0.00 -2.23 0.28 0.00 0.10 0.00 0.00 66.02 64.18 2vxj s SER 72 CO 0.00 -1.65 1.12 -0.83 0.98 0.00 0.00 173.24 172.86 2vxj s GLY 73 N -3.92 1.59 0.49 7.32 0.00 -1.26 -4.68 107.32 106.86 2vxj s GLY 73 Ca 0.59 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 44.12 2vxj s GLY 73 CO 0.54 -0.09 1.13 -0.51 0.00 0.00 0.00 173.10 174.18 2vxj s THR 74 N -3.05 3.23 -0.08 0.90 -4.23 -1.26 -4.57 115.64 106.58 2vxj s THR 74 Ca 0.71 0.85 0.01 0.00 -1.18 0.00 0.00 61.69 62.08 2vxj s THR 74 Cb -0.09 -3.39 0.02 0.00 1.34 0.00 0.00 72.50 70.37 2vxj s THR 74 CO 0.56 -0.08 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.85 2vxj s ILE 75 N -1.67 0.89 0.29 2.99 1.01 0.62 -4.96 121.20 120.37 2vxj s ILE 75 Ca 0.67 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 2vxj s ILE 75 Cb -0.25 -0.88 -0.11 0.00 0.01 0.00 0.00 42.46 41.22 2vxj s ILE 75 CO 0.30 0.32 1.54 -2.84 0.00 0.00 0.00 174.94 174.26 2vxj s PRO 76 N 1.18 4.16 -0.09 2.79 0.02 -1.26 -1.19 135.00 140.61 2vxj s PRO 76 Ca -0.06 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.44 2vxj s PRO 76 Cb -0.14 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 2vxj s PRO 76 CO -0.02 -0.56 -0.11 0.28 -0.33 0.00 0.00 177.00 176.26 2vxj n VAL 77 N 1.95 0.49 -0.54 3.83 0.31 -0.55 -4.87 118.33 118.95 2vxj n VAL 77 Ca 0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2vxj n VAL 77 Cb 0.38 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 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 -3.28 0.00 0.28 4.52 3.02 0.18 -1.50 115.26 118.48 2vxj n ASN 78 Ca -0.17 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.56 2vxj n ASN 78 Cb 0.63 0.00 0.78 0.00 -0.61 0.00 0.00 39.78 40.58 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 -1.86 -3.41 112.91 112.40 2vxj h THR 79 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2vxj h THR 79 Cb 0.00 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 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 -0.21 2.00 3.20 5.82 0.00 -0.56 -0.82 105.19 114.60 2vxj n GLY 80 Ca -0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 2.04 -0.25 0.99 1.43 -0.81 -4.92 118.68 117.16 2vxj s LEU 81 Ca 0.00 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2vxj s LEU 81 Cb 0.00 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2vxj s LEU 81 CO 0.00 0.24 -0.07 0.12 0.23 0.00 0.00 176.35 176.87 2vxj s PHE 82 N -0.45 3.06 -1.15 0.29 5.36 -1.26 -0.95 117.98 122.88 2vxj s PHE 82 Ca 0.07 -1.55 -0.27 0.00 -0.96 0.00 0.00 56.93 54.23 2vxj s PHE 82 Cb -0.07 -2.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2vxj s PHE 82 CO -0.01 -0.73 0.73 0.54 -1.46 0.00 0.00 175.22 174.30 2vxj n ARG 83 N 4.67 -0.74 -3.85 10.12 1.74 -1.14 -4.94 116.66 122.51 2vxj n ARG 83 Ca -0.17 0.29 -0.36 0.00 -0.77 0.00 0.00 57.85 56.85 2vxj n ARG 83 Cb 0.47 -3.25 -0.06 0.00 -1.02 0.00 0.00 32.46 28.61 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 -3.46 3.59 -0.09 -1.55 -0.00 0.28 -4.77 118.94 112.94 2vxj s TRP 84 Ca 0.46 0.52 0.03 0.00 -0.00 0.00 0.00 56.10 57.11 2vxj s TRP 84 Cb -0.21 -1.94 -0.01 0.00 -0.00 0.00 0.00 33.47 31.31 2vxj s TRP 84 CO 0.92 0.70 -0.19 0.08 -0.00 0.00 0.00 176.95 178.47 2vxj s VAL 85 N -1.12 2.61 0.60 5.86 1.01 -1.26 -1.31 120.40 126.79 2vxj s VAL 85 Ca 0.19 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 2vxj s VAL 85 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2vxj s VAL 85 CO 0.09 0.56 1.05 0.00 0.00 0.00 0.00 175.10 176.79 2vxj s ALA 86 N -0.03 2.79 1.08 5.51 0.00 -1.26 -5.01 121.76 124.84 2vxj s ALA 86 Ca -0.05 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 2vxj s ALA 86 Cb -0.14 -3.20 0.24 0.00 0.00 0.00 0.00 23.12 20.02 2vxj s ALA 86 CO 0.04 -0.80 1.07 -2.14 0.00 0.00 0.00 175.76 173.93 2vxj s PRO 87 N -4.30 -0.31 0.47 0.00 0.02 -1.26 -4.89 135.00 124.74 2vxj s PRO 87 Ca 0.62 1.12 -0.24 0.00 0.02 0.00 0.00 61.00 62.51 2vxj s PRO 87 Cb -0.15 -1.60 -0.07 0.00 0.02 0.00 0.00 34.50 32.70 2vxj s PRO 87 CO 0.40 -3.40 1.41 1.21 -0.33 0.00 0.00 177.00 176.29 2vxj s ASN 88 N -2.52 5.73 0.00 2.53 3.04 -1.26 -2.32 114.94 120.14 2vxj s ASN 88 Ca 0.68 2.88 0.00 0.00 0.04 0.00 0.00 52.86 56.46 2vxj s ASN 88 Cb -0.25 -2.65 0.00 0.00 -1.54 0.00 0.00 41.25 36.82 2vxj s ASN 88 CO 0.62 -1.27 0.00 0.59 -3.04 0.00 0.00 177.10 174.00 2vxj n ASN 89 N -0.40 -0.71 -4.63 -4.21 4.13 -1.26 -4.98 115.26 103.20 2vxj n ASN 89 Ca 0.06 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 2vxj n ASN 89 Cb 0.43 -1.98 -0.05 0.00 -1.54 0.00 0.00 39.78 36.64 2vxj n ASN 89 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2vxj s VAL 90 N -1.70 4.85 0.11 2.41 1.01 -0.98 -5.01 120.40 121.08 2vxj s VAL 90 Ca 0.00 1.34 -0.25 0.00 0.00 0.00 0.00 61.98 63.07 2vxj s VAL 90 Cb 0.00 -4.09 0.08 0.00 0.00 0.00 0.00 36.38 32.36 2vxj s VAL 90 CO 0.00 -0.12 0.67 0.00 0.00 0.00 0.00 175.10 175.65 2vxj s GLN 91 N 2.83 1.16 0.00 2.72 -2.07 -1.26 -4.78 119.66 118.25 2vxj s GLN 91 Ca 0.32 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.48 2vxj s GLN 91 Cb -0.15 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2vxj s GLN 91 CO 0.10 -0.50 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 2vxj n GLY 92 N -0.27 0.87 3.76 2.60 0.00 -0.27 -3.27 105.19 108.61 2vxj n GLY 92 Ca -0.15 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.19 2vxj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxj n ALA 93 N -1.00 2.28 -2.67 4.61 0.00 -1.26 -0.82 120.51 121.65 2vxj n ALA 93 Ca 0.00 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 2vxj n ALA 93 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 16.98 2vxj n ALA 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vxj s ILE 94 N -0.94 5.10 -0.14 0.00 1.01 -0.30 -1.24 121.20 124.70 2vxj s ILE 94 Ca 0.55 0.97 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2vxj s ILE 94 Cb -0.49 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 2vxj s ILE 94 CO 0.61 0.18 -0.14 -0.89 0.00 0.00 0.00 174.94 174.70 2vxj s THR 95 N 1.59 2.85 -0.08 2.92 2.01 -0.07 -1.58 115.64 123.28 2vxj s THR 95 Ca 0.24 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.41 2vxj s THR 95 Cb -0.15 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2vxj s THR 95 CO 0.10 0.52 0.28 -0.76 -0.69 0.00 0.00 174.62 174.06 2vxj s LEU 96 N 0.60 4.38 -0.00 4.42 1.43 -0.37 -1.39 118.68 127.74 2vxj s LEU 96 Ca -0.08 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2vxj s LEU 96 Cb -0.16 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2vxj s LEU 96 CO 0.03 0.30 0.01 -0.63 0.23 0.00 0.00 176.35 176.28 2vxj s ILE 97 N -0.66 -0.01 0.16 -0.59 1.01 0.23 0.13 121.20 121.47 2vxj s ILE 97 Ca 0.19 0.04 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 2vxj s ILE 97 Cb -0.14 -0.03 -0.08 0.00 0.01 0.00 0.00 42.46 42.22 2vxj s ILE 97 CO 0.07 0.02 1.36 -0.47 0.00 0.00 0.00 174.94 175.93 2vxj s TYR 98 N 0.20 3.23 -0.44 3.97 5.04 -1.26 -0.58 117.35 127.51 2vxj s TYR 98 Ca -0.02 1.06 -0.29 0.00 -2.44 0.00 0.00 57.07 55.39 2vxj s TYR 98 Cb -0.02 -3.66 0.02 0.00 0.35 0.00 0.00 41.96 38.64 2vxj s TYR 98 CO -0.01 -2.22 1.24 1.21 -1.34 0.00 0.00 175.55 174.44 2vxj s ASN 99 N 0.72 6.53 0.33 4.32 2.47 0.40 -4.90 114.94 124.82 2vxj s ASN 99 Ca 0.61 0.64 -0.01 0.00 0.42 0.00 0.00 52.86 54.52 2vxj s ASN 99 Cb -0.37 -2.55 -0.00 0.00 -1.45 0.00 0.00 41.25 36.88 2vxj s ASN 99 CO 0.35 -1.30 0.43 -0.62 -3.72 0.00 0.00 177.10 172.23 2vxj s ASP 100 N 2.99 1.00 -0.03 -4.21 -1.08 -1.26 -0.85 116.67 113.22 2vxj s ASP 100 Ca 0.53 -1.52 -0.30 0.00 -0.52 0.00 0.00 52.55 50.74 2vxj s ASP 100 Cb -0.10 0.64 -0.03 0.00 -1.46 0.00 0.00 42.92 41.97 2vxj s ASP 100 CO 0.31 -1.24 1.10 -0.69 0.52 0.00 0.00 175.17 175.17 2vxj s VAL 101 N -3.17 4.49 0.12 1.11 1.01 -1.26 -1.68 120.40 121.02 2vxj s VAL 101 Ca 0.32 1.79 -0.34 0.00 0.00 0.00 0.00 61.98 63.75 2vxj s VAL 101 Cb 0.00 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 2vxj s VAL 101 CO 0.21 0.06 1.06 -2.65 0.00 0.00 0.00 175.10 173.78 2vxj n PRO 102 N 4.58 0.66 -0.27 2.72 -0.02 -1.26 -1.48 135.00 139.93 2vxj n PRO 102 Ca 0.09 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2vxj n PRO 102 Cb 0.48 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.92 1.04 0.12 -1.23 0.00 -1.26 -4.89 105.19 100.90 2vxj n GLY 103 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 1.82 0.19 2.61 -2.24 -0.55 -4.69 114.28 109.42 2vxj n THR 104 Ca 0.00 -2.22 0.10 0.00 -2.27 0.00 0.00 64.05 59.66 2vxj n THR 104 Cb 0.00 -0.21 0.12 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.05 0.00 0.00 4.78 -1.99 -1.90 -3.38 116.97 114.53 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 0.04 0.11 -0.01 0.78 -0.00 0.00 0.00 178.16 179.08 2vxj h GLY 106 N 3.89 0.00 -0.85 3.88 0.00 -1.85 -0.91 103.07 107.23 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 0.01 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.71 2vxj n ASN 107 N -4.32 1.72 -4.85 0.19 6.94 -1.26 -4.94 115.26 108.74 2vxj n ASN 107 Ca -0.03 -1.71 -0.31 0.00 -0.02 0.00 0.00 54.58 52.51 2vxj n ASN 107 Cb 0.10 -0.10 0.01 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.59 6.10 0.17 0.53 0.01 -0.35 -3.85 114.94 115.97 2vxj s ASN 108 Ca 0.33 1.50 -0.13 0.00 -0.71 0.00 0.00 52.86 53.84 2vxj s ASN 108 Cb 0.18 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.37 2vxj s ASN 108 CO 0.27 -0.95 0.40 -0.94 -1.51 0.00 0.00 177.10 174.36 2vxj s SER 109 N -3.88 -0.11 0.07 -1.22 1.04 -0.48 -4.46 113.70 104.65 2vxj s SER 109 Ca 0.57 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2vxj s SER 109 Cb -0.12 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2vxj s SER 109 CO 0.50 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2vxj n GLY 110 N -0.26 -2.09 3.76 7.32 0.00 -1.26 -0.19 105.19 112.46 2vxj n GLY 110 Ca -0.10 -1.43 -0.06 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.42 -0.25 -0.07 1.61 1.04 -1.06 -0.99 113.70 110.56 2vxj s SER 111 Ca 0.00 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2vxj s SER 111 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 2vxj s SER 111 CO 0.00 -1.06 -0.09 -0.36 0.98 0.00 0.00 173.24 172.71 2vxj s PHE 112 N -3.56 2.88 -0.14 5.02 0.08 -0.60 -2.98 117.98 118.68 2vxj s PHE 112 Ca 0.11 -0.07 -0.18 0.00 0.12 0.00 0.00 56.93 56.90 2vxj s PHE 112 Cb -0.03 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2vxj s PHE 112 CO 0.02 0.25 0.49 0.45 -0.10 0.00 0.00 175.22 176.34 2vxj s SER 113 N -0.68 6.66 -0.02 1.36 0.15 0.11 -0.90 113.70 120.38 2vxj s SER 113 Ca 0.10 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.57 2vxj s SER 113 Cb -0.11 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2vxj s SER 113 CO 0.01 -0.05 -0.08 -0.69 1.20 0.00 0.00 173.24 173.63 2vxj s VAL 114 N 0.88 0.72 -0.08 4.45 1.01 0.19 -0.02 120.40 127.55 2vxj s VAL 114 Ca 0.26 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2vxj s VAL 114 Cb -0.15 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2vxj s VAL 114 CO 0.10 0.22 -0.17 0.20 0.00 0.00 0.00 175.10 175.45 2vxj s ASN 115 N 0.08 3.74 -0.06 3.32 -0.87 -0.07 -1.78 114.94 119.30 2vxj s ASN 115 Ca -0.01 -0.33 0.02 0.00 -1.57 0.00 0.00 52.86 50.97 2vxj s ASN 115 Cb -0.07 -1.08 0.01 0.00 -0.02 0.00 0.00 41.25 40.10 2vxj s ASN 115 CO 0.00 0.26 -0.10 -0.63 -2.57 0.00 0.00 177.10 174.06 2vxj s ILE 116 N -0.23 0.98 0.17 0.60 1.01 -0.08 -1.72 121.20 121.93 2vxj s ILE 116 Ca 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2vxj s ILE 116 Cb -0.13 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 2vxj s ILE 116 CO 0.03 0.32 -0.11 -0.83 0.00 0.00 0.00 174.94 174.35 2vxj s GLY 117 N 0.68 1.19 -0.04 6.18 0.00 -0.30 -0.94 107.32 114.10 2vxj s GLY 117 Ca -0.13 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 42.87 2vxj s GLY 117 CO 0.03 -1.65 0.47 0.54 0.00 0.00 0.00 173.10 172.48 2vxj s LYS 118 N -3.71 4.16 0.49 2.90 1.02 -1.26 -1.01 119.74 122.33 2vxj s LYS 118 Ca 0.19 0.48 0.03 0.00 0.02 0.00 0.00 55.97 56.69 2vxj s LYS 118 Cb 0.01 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2vxj s LYS 118 CO 0.03 0.44 0.69 -0.51 -0.92 0.00 0.00 175.35 175.08 2vxj s ASP 119 N -0.32 5.49 0.30 2.83 1.01 0.27 -4.92 116.67 121.33 2vxj s ASP 119 Ca 0.26 -0.07 -0.29 0.00 0.71 0.00 0.00 52.55 53.15 2vxj s ASP 119 Cb -0.16 -0.95 -0.13 0.00 1.01 0.00 0.00 42.92 42.69 2vxj s ASP 119 CO 0.13 -0.94 1.26 0.00 0.21 0.00 0.00 175.17 175.83 2vxj n GLN 120 N -2.14 1.91 0.00 8.23 6.02 -1.26 -4.53 117.38 125.60 2vxj n GLN 120 Ca 0.06 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 2vxj n GLN 120 Cb 0.59 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2vxj n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92