#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyj s PHE 2 N 0.00 1.76 -0.21 1.12 5.36 0.12 -1.49 117.98 124.63 1vyj s PHE 2 Ca 0.00 -0.54 -0.08 0.00 -0.96 0.00 0.00 56.93 55.35 1vyj s PHE 2 Cb 0.00 -1.19 0.09 0.00 -0.34 0.00 0.00 43.02 41.58 1vyj s PHE 2 CO 0.00 -0.19 0.46 -2.00 -1.46 0.00 0.00 175.22 172.03 1vyj s GLU 3 N 0.12 0.39 -0.09 10.12 2.12 -0.42 -1.05 118.70 129.89 1vyj s GLU 3 Ca -0.06 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1vyj s GLU 3 Cb -0.12 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.61 1vyj s GLU 3 CO 0.03 -0.22 -0.07 0.00 -0.54 0.00 0.00 175.26 174.46 1vyj s ALA 4 N 2.36 1.10 -0.16 6.30 0.00 -0.23 -1.59 121.76 129.54 1vyj s ALA 4 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1vyj s ALA 4 Cb -0.11 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 1vyj s ALA 4 CO -0.14 -0.26 -0.02 0.50 0.00 0.00 0.00 175.76 175.84 1vyj s ARG 5 N 1.42 3.69 -0.19 0.00 3.52 -0.62 -0.27 118.95 126.50 1vyj s ARG 5 Ca -0.01 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.09 1vyj s ARG 5 Cb -0.13 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1vyj s ARG 5 CO -0.04 0.22 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.31 1vyj s LEU 6 N 0.44 2.30 -0.02 -0.88 2.96 0.37 -0.68 118.68 123.16 1vyj s LEU 6 Ca -0.03 -0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 52.93 1vyj s LEU 6 Cb -0.14 -1.50 -0.17 0.00 0.50 0.00 0.00 46.19 44.88 1vyj s LEU 6 CO 0.03 -0.02 1.08 0.58 -1.32 0.00 0.00 176.35 176.70 1vyj h VAL 7 N 6.01 0.87 -0.93 1.68 2.07 -1.88 0.63 116.25 124.70 1vyj h VAL 7 Ca -0.43 -0.91 -0.65 0.00 0.82 0.00 0.00 66.70 65.53 1vyj h VAL 7 Cb 1.13 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 32.18 1vyj h VAL 7 CO 0.62 0.19 1.97 -1.10 0.02 0.00 0.00 177.57 179.27 1vyj s GLN 8 N -4.06 3.84 0.51 1.57 -0.21 -1.26 -3.79 119.66 116.26 1vyj s GLN 8 Ca -0.14 -1.71 0.20 0.00 0.02 0.00 0.00 55.36 53.73 1vyj s GLN 8 Cb 0.01 -5.48 1.28 0.00 1.00 0.00 0.00 33.01 29.83 1vyj s GLN 8 CO 0.53 -2.27 2.05 0.78 -2.12 0.00 0.00 175.29 174.27 1vyj h GLY 9 N 12.72 0.10 -0.28 3.09 0.00 -1.38 -1.43 103.07 115.89 1vyj h GLY 9 Ca 0.37 -0.03 0.28 0.00 0.00 0.00 0.00 47.33 47.95 1vyj h GLY 9 CO 1.45 0.02 0.65 1.48 0.00 0.00 0.00 176.54 180.14 1vyj h SER 10 N 0.07 0.51 -0.52 0.19 4.64 -1.67 -1.48 113.55 115.30 1vyj h SER 10 Ca 0.16 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1vyj h SER 10 Cb 0.55 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1vyj h SER 10 CO -0.01 0.04 0.26 0.40 -0.87 0.00 0.00 176.83 176.65 1vyj h ILE 11 N 0.42 1.19 -0.20 0.95 2.04 -1.58 0.15 117.51 120.48 1vyj h ILE 11 Ca 0.65 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 1vyj h ILE 11 Cb 1.54 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1vyj h ILE 11 CO -0.41 0.21 -0.27 0.25 0.00 0.00 0.00 178.15 177.93 1vyj h LEU 12 N 0.69 0.39 -0.09 1.44 5.85 -1.46 -1.49 115.31 120.63 1vyj h LEU 12 Ca 0.18 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1vyj h LEU 12 Cb 0.10 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1vyj h LEU 12 CO -0.02 0.66 -0.02 0.11 -0.34 0.00 0.00 178.44 178.83 1vyj h LYS 13 N 0.34 0.18 0.00 1.25 1.57 -1.08 -2.01 116.57 116.82 1vyj h LYS 13 Ca 0.05 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1vyj h LYS 13 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1vyj h LYS 13 CO 0.05 0.47 -0.37 1.57 -0.57 0.00 0.00 179.45 180.60 1vyj h LYS 14 N -0.13 0.00 -0.11 3.15 2.10 -0.51 -1.01 116.57 120.06 1vyj h LYS 14 Ca 0.02 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1vyj h LYS 14 Cb 0.40 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1vyj h LYS 14 CO 0.01 0.37 0.01 0.28 -2.00 0.00 0.00 179.45 178.11 1vyj h VAL 15 N 0.00 1.24 -0.18 0.07 2.07 -1.10 -2.39 116.25 115.96 1vyj h VAL 15 Ca -0.00 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1vyj h VAL 15 Cb 0.90 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1vyj h VAL 15 CO 0.05 0.22 -0.28 -0.07 0.02 0.00 0.00 177.57 177.50 1vyj h LEU 16 N -0.07 0.34 -2.16 2.57 3.38 -1.20 -1.49 115.31 116.68 1vyj h LEU 16 Ca 0.03 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1vyj h LEU 16 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1vyj h LEU 16 CO 0.00 0.62 0.22 -0.33 0.09 0.00 0.00 178.44 179.04 1vyj h GLU 17 N 0.30 0.00 0.00 1.13 4.39 -0.90 -2.10 114.58 117.40 1vyj h GLU 17 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1vyj h GLU 17 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1vyj h GLU 17 CO 0.05 0.00 -1.23 0.00 -1.16 0.00 0.00 179.01 176.67 1vyj n ALA 18 N -2.40 2.65 -0.08 3.43 0.00 -0.59 -4.11 120.51 119.41 1vyj n ALA 18 Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 1vyj n ALA 18 Cb 0.36 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 1vyj n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vyj n LEU 19 N -2.53 1.54 0.11 0.00 4.77 -1.00 -4.62 117.00 115.27 1vyj n LEU 19 Ca -0.01 0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1vyj n LEU 19 Cb 0.55 -0.28 0.40 0.00 -2.33 0.00 0.00 43.42 41.76 1vyj n LEU 19 CO 0.41 0.68 0.91 0.07 -1.33 0.00 0.00 177.39 178.13 1vyj h LYS 20 N 0.01 0.26 0.00 3.23 2.10 -1.53 -0.98 116.57 119.66 1vyj h LYS 20 Ca -0.49 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.04 1vyj h LYS 20 Cb 2.06 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 33.34 1vyj h LYS 20 CO 0.01 0.37 -0.32 -0.44 -2.00 0.00 0.00 179.45 177.07 1vyj h ASP 21 N 0.25 0.00 0.01 7.07 3.32 -1.85 -3.35 116.42 121.87 1vyj h ASP 21 Ca 0.05 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.70 1vyj h ASP 21 Cb 0.33 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1vyj h ASP 21 CO 0.02 0.32 -2.34 -0.11 -1.72 0.00 0.00 179.24 175.41 1vyj n LEU 22 N -3.38 2.40 -4.21 1.55 7.94 -0.61 -4.88 117.00 115.81 1vyj n LEU 22 Ca 0.01 0.16 -0.35 0.00 -1.11 0.00 0.00 56.01 54.71 1vyj n LEU 22 Cb 0.53 -0.90 -0.14 0.00 0.53 0.00 0.00 43.42 43.44 1vyj n LEU 22 CO 0.36 0.71 -0.36 0.27 -1.11 0.00 0.00 177.39 177.26 1vyj s ILE 23 N -2.50 3.12 0.00 1.96 -4.36 -0.47 -4.53 121.20 114.41 1vyj s ILE 23 Ca -0.35 -1.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1vyj s ILE 23 Cb 0.11 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 41.11 1vyj s ILE 23 CO 0.57 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 175.29 1vyj n ASN 24 N 4.68 0.00 -4.35 4.36 0.23 -1.26 -4.63 115.26 114.29 1vyj n ASN 24 Ca -0.14 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.73 1vyj n ASN 24 Cb 0.45 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.05 1vyj n ASN 24 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1vyj s GLU 25 N 0.00 1.35 0.19 -3.83 -1.05 -1.26 -3.42 118.70 110.67 1vyj s GLU 25 Ca 0.00 -1.64 -0.23 0.00 -0.15 0.00 0.00 54.97 52.95 1vyj s GLU 25 Cb 0.00 -0.93 0.06 0.00 -0.44 0.00 0.00 34.13 32.81 1vyj s GLU 25 CO 0.00 0.06 0.67 0.00 0.95 0.00 0.00 175.26 176.95 1vyj s ALA 26 N -3.14 -1.49 -0.22 -0.84 0.00 -0.46 -4.96 121.76 110.64 1vyj s ALA 26 Ca 0.25 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 1vyj s ALA 26 Cb 0.02 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1vyj s ALA 26 CO 0.08 -0.86 0.17 0.00 0.00 0.00 0.00 175.76 175.14 1vyj s TRP 28 N 0.82 3.17 -0.25 0.00 0.52 0.41 -4.36 118.94 119.26 1vyj s TRP 28 Ca 0.09 -0.16 -0.20 0.00 0.02 0.00 0.00 56.10 55.85 1vyj s TRP 28 Cb -0.13 -2.89 -0.02 0.00 -1.15 0.00 0.00 33.47 29.28 1vyj s TRP 28 CO 0.03 -0.62 0.62 -0.51 0.02 0.00 0.00 176.95 176.48 1vyj s ASP 29 N 1.80 6.58 -0.21 2.95 1.01 0.15 -1.42 116.67 127.54 1vyj s ASP 29 Ca 0.14 0.71 -0.04 0.00 0.71 0.00 0.00 52.55 54.07 1vyj s ASP 29 Cb -0.16 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1vyj s ASP 29 CO 0.14 -0.34 -0.04 -0.63 0.21 0.00 0.00 175.17 174.50 1vyj s ILE 30 N 2.38 3.42 0.03 0.77 -1.09 0.71 -1.70 121.20 125.73 1vyj s ILE 30 Ca 0.26 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.20 1vyj s ILE 30 Cb -0.16 -2.54 -0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1vyj s ILE 30 CO 0.09 0.43 0.02 -1.54 -1.23 0.00 0.00 174.94 172.71 1vyj n SER 31 N 4.62 0.19 0.14 3.58 3.41 -0.22 -1.58 113.62 123.76 1vyj n SER 31 Ca -0.18 -1.22 0.02 0.00 -0.26 0.00 0.00 58.87 57.23 1vyj n SER 31 Cb 0.51 0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.64 1vyj n SER 31 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1vyj h SER 32 N 0.19 0.00 0.85 4.04 4.64 -1.96 -2.91 113.55 118.40 1vyj h SER 32 Ca -0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1vyj h SER 32 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1vyj h SER 32 CO 0.04 0.52 -1.02 0.77 -0.87 0.00 0.00 176.83 176.27 1vyj h SER 33 N 0.00 0.13 0.00 4.97 4.64 -1.97 -3.44 113.55 117.87 1vyj h SER 33 Ca -0.01 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1vyj h SER 33 Cb 1.39 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1vyj h SER 33 CO 0.07 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 1vyj n GLY 34 N 1.27 -0.12 3.18 -0.77 0.00 -1.10 -1.10 105.19 106.55 1vyj n GLY 34 Ca -0.02 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 1vyj n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vyj s VAL 35 N -3.84 1.98 0.15 1.61 1.01 0.13 -1.06 120.40 120.38 1vyj s VAL 35 Ca 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1vyj s VAL 35 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1vyj s VAL 35 CO 0.00 0.54 -0.10 0.20 0.00 0.00 0.00 175.10 175.73 1vyj s ASN 36 N 0.58 1.86 -0.28 3.32 0.01 -0.69 -0.56 114.94 119.18 1vyj s ASN 36 Ca -0.13 -1.01 -0.16 0.00 -0.71 0.00 0.00 52.86 50.84 1vyj s ASN 36 Cb -0.17 -0.02 0.09 0.00 0.41 0.00 0.00 41.25 41.56 1vyj s ASN 36 CO 0.04 -0.32 0.75 -0.22 -1.51 0.00 0.00 177.10 175.84 1vyj s LEU 37 N -3.18 -0.86 -0.04 0.60 0.20 -0.91 -0.67 118.68 113.81 1vyj s LEU 37 Ca 0.17 1.38 0.01 0.00 0.69 0.00 0.00 54.13 56.38 1vyj s LEU 37 Cb 0.02 2.27 0.02 0.00 -0.43 0.00 0.00 46.19 48.07 1vyj s LEU 37 CO 0.01 -0.22 -0.04 -1.58 -0.29 0.00 0.00 176.35 174.24 1vyj s GLN 38 N 1.52 0.75 -0.12 1.98 0.74 -1.26 -0.92 119.66 122.35 1vyj s GLN 38 Ca -0.09 -0.07 -0.13 0.00 0.05 0.00 0.00 55.36 55.12 1vyj s GLN 38 Cb -0.05 -0.80 0.03 0.00 1.10 0.00 0.00 33.01 33.29 1vyj s GLN 38 CO -0.18 -0.10 0.35 0.45 -0.55 0.00 0.00 175.29 175.25 1vyj s SER 39 N 1.00 -0.34 0.67 6.67 0.15 -1.06 -4.74 113.70 116.05 1vyj s SER 39 Ca -0.10 0.62 -0.11 0.00 0.70 0.00 0.00 55.95 57.06 1vyj s SER 39 Cb -0.14 0.66 -0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1vyj s SER 39 CO -0.01 -0.17 1.06 -0.04 1.20 0.00 0.00 173.24 175.28 1vyj s MET 40 N -0.02 3.09 0.84 5.44 -1.94 -1.26 -0.43 119.30 125.02 1vyj s MET 40 Ca -0.02 0.51 -0.11 0.00 -1.71 0.00 0.00 55.69 54.35 1vyj s MET 40 Cb -0.03 -2.06 0.13 0.00 2.01 0.00 0.00 34.83 34.88 1vyj s MET 40 CO 0.01 -0.86 1.19 0.16 -0.01 0.00 0.00 175.02 175.51 1vyj s ASP 41 N -4.30 4.01 0.38 3.03 1.47 -0.88 -4.91 116.67 115.46 1vyj s ASP 41 Ca 0.57 0.41 0.18 0.00 1.18 0.00 0.00 52.55 54.88 1vyj s ASP 41 Cb -0.11 -0.74 1.10 0.00 -0.34 0.00 0.00 42.92 42.83 1vyj s ASP 41 CO 0.52 -2.17 1.72 0.28 0.68 0.00 0.00 175.17 176.20 1vyj h SER 42 N -1.14 0.48 -0.23 2.11 0.02 -1.93 -2.05 113.55 110.80 1vyj h SER 42 Ca -0.44 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1vyj h SER 42 Cb 1.28 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1vyj h SER 42 CO 0.51 0.01 0.00 -1.54 -1.14 0.00 0.00 176.83 174.67 1vyj n SER 43 N -4.77 2.32 -2.02 3.07 3.41 -1.26 -4.90 113.62 109.47 1vyj n SER 43 Ca 0.29 -1.82 -0.18 0.00 -0.26 0.00 0.00 58.87 56.90 1vyj n SER 43 Cb 0.95 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 64.72 1vyj n SER 43 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1vyj n HIS 44 N 0.76 -0.68 -0.01 7.33 8.25 -0.77 -4.82 115.22 125.28 1vyj n HIS 44 Ca 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.71 1vyj n HIS 44 Cb 0.44 -3.43 -0.13 0.00 1.12 0.00 0.00 29.99 27.99 1vyj n HIS 44 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1vyj n VAL 45 N -3.11 0.05 -4.16 1.59 0.31 -1.26 -4.97 118.33 106.79 1vyj n VAL 45 Ca -0.20 -0.40 -0.15 0.00 -0.01 0.00 0.00 64.34 63.58 1vyj n VAL 45 Cb 0.64 0.08 -0.11 0.00 -0.91 0.00 0.00 33.84 33.54 1vyj n VAL 45 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1vyj s SER 46 N -3.99 1.37 -0.01 4.52 1.04 -1.26 -1.62 113.70 113.75 1vyj s SER 46 Ca -0.06 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.58 1vyj s SER 46 Cb 0.11 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1vyj s SER 46 CO 0.70 -0.24 0.08 -0.22 0.98 0.00 0.00 173.24 174.55 1vyj s LEU 47 N -2.23 1.73 0.21 2.42 0.20 -0.17 -2.08 118.68 118.76 1vyj s LEU 47 Ca 0.02 -0.05 0.08 0.00 0.69 0.00 0.00 54.13 54.87 1vyj s LEU 47 Cb -0.05 0.38 -0.04 0.00 -0.43 0.00 0.00 46.19 46.05 1vyj s LEU 47 CO 0.00 -0.18 0.01 0.54 -0.29 0.00 0.00 176.35 176.44 1vyj s VAL 48 N -0.63 3.69 -0.22 1.68 0.11 0.43 0.52 120.40 125.98 1vyj s VAL 48 Ca -0.07 -1.57 -0.09 0.00 -2.93 0.00 0.00 61.98 57.32 1vyj s VAL 48 Cb -0.04 -2.90 0.09 0.00 -1.53 0.00 0.00 36.38 32.00 1vyj s VAL 48 CO 0.00 -0.20 0.48 -1.58 -3.33 0.00 0.00 175.10 170.47 1vyj s GLN 49 N -3.22 0.41 -0.09 1.54 -0.44 -0.24 -2.56 119.66 115.06 1vyj s GLN 49 Ca 0.29 1.07 0.02 0.00 -2.50 0.00 0.00 55.36 54.24 1vyj s GLN 49 Cb -0.08 0.32 0.01 0.00 -1.64 0.00 0.00 33.01 31.62 1vyj s GLN 49 CO 0.19 -0.21 -0.15 -1.17 0.50 0.00 0.00 175.29 174.45 1vyj s LEU 50 N 2.30 1.74 -0.20 3.68 2.96 -0.10 0.21 118.68 129.27 1vyj s LEU 50 Ca -0.05 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1vyj s LEU 50 Cb -0.11 -1.05 0.04 0.00 0.50 0.00 0.00 46.19 45.57 1vyj s LEU 50 CO -0.14 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.89 1vyj s THR 51 N 0.82 1.88 -0.30 3.68 2.01 -0.58 -2.15 115.64 121.00 1vyj s THR 51 Ca -0.10 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 1vyj s THR 51 Cb -0.16 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.55 1vyj s THR 51 CO 0.01 0.28 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.45 1vyj s LEU 52 N 1.31 3.84 0.47 4.42 1.43 0.28 -2.02 118.68 128.40 1vyj s LEU 52 Ca -0.00 -1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 51.60 1vyj s LEU 52 Cb -0.16 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.30 1vyj s LEU 52 CO -0.09 -0.25 1.19 -0.13 0.23 0.00 0.00 176.35 177.30 1vyj s ARG 53 N 1.24 3.68 0.27 1.70 0.52 0.21 0.21 118.95 126.78 1vyj s ARG 53 Ca -0.05 1.84 -0.02 0.00 -0.52 0.00 0.00 55.73 56.97 1vyj s ARG 53 Cb -0.20 -2.39 0.35 0.00 0.52 0.00 0.00 34.95 33.23 1vyj s ARG 53 CO -0.01 -0.63 1.81 0.66 0.02 0.00 0.00 175.30 177.15 1vyj h SER 54 N 1.98 0.83 -0.10 0.23 4.64 -1.41 -1.89 113.55 117.83 1vyj h SER 54 Ca -0.50 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 60.71 1vyj h SER 54 Cb 1.25 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1vyj h SER 54 CO 0.60 0.80 0.50 -0.33 -0.87 0.00 0.00 176.83 177.53 1vyj h GLU 55 N 0.85 0.00 0.00 4.77 3.07 -1.93 -2.42 114.58 118.93 1vyj h GLU 55 Ca 0.19 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1vyj h GLU 55 Cb 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1vyj h GLU 55 CO -0.00 0.00 -1.30 0.41 -1.40 0.00 0.00 179.01 176.72 1vyj n GLY 56 N -1.33 -1.33 3.86 -3.84 0.00 -0.71 -4.72 105.19 97.13 1vyj n GLY 56 Ca 0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1vyj n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vyj s PHE 57 N -3.37 3.52 -0.17 1.61 0.40 -0.91 -4.91 117.98 114.14 1vyj s PHE 57 Ca -0.03 1.26 0.20 0.00 -0.60 0.00 0.00 56.93 57.76 1vyj s PHE 57 Cb 0.11 -2.64 -0.09 0.00 0.51 0.00 0.00 43.02 40.90 1vyj s PHE 57 CO 0.82 -0.39 0.88 -3.47 0.70 0.00 0.00 175.22 173.76 1vyj n ASP 58 N -1.92 0.75 -3.90 1.36 2.03 0.14 -4.74 116.55 110.27 1vyj n ASP 58 Ca 0.05 0.30 -0.10 0.00 0.52 0.00 0.00 54.79 55.56 1vyj n ASP 58 Cb 0.54 0.51 -0.10 0.00 -0.72 0.00 0.00 41.12 41.35 1vyj n ASP 58 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1vyj s THR 59 N -3.20 0.10 -0.20 5.18 2.01 -1.22 -5.00 115.64 113.31 1vyj s THR 59 Ca -0.02 -0.80 -0.25 0.00 0.31 0.00 0.00 61.69 60.92 1vyj s THR 59 Cb 0.10 -0.50 0.07 0.00 0.01 0.00 0.00 72.50 72.18 1vyj s THR 59 CO 0.81 -0.44 0.68 -0.47 -0.69 0.00 0.00 174.62 174.51 1vyj s TYR 60 N -1.63 -0.72 -0.29 4.92 5.04 -1.25 -1.60 117.35 121.82 1vyj s TYR 60 Ca -0.13 1.63 -0.12 0.00 -2.44 0.00 0.00 57.07 56.01 1vyj s TYR 60 Cb -0.07 0.29 0.12 0.00 0.35 0.00 0.00 41.96 42.65 1vyj s TYR 60 CO 0.00 -0.42 0.69 0.50 -1.34 0.00 0.00 175.55 174.98 1vyj s ARG 61 N -0.06 0.59 -0.45 4.97 3.52 -0.62 -4.97 118.95 121.93 1vyj s ARG 61 Ca -0.03 1.33 0.05 0.00 -0.13 0.00 0.00 55.73 56.95 1vyj s ARG 61 Cb -0.04 0.63 0.18 0.00 -1.56 0.00 0.00 34.95 34.16 1vyj s ARG 61 CO 0.03 -0.18 0.51 0.00 -0.81 0.00 0.00 175.30 174.85 1vyj h ASP 63 N 5.54 0.31 -4.08 0.00 3.32 -1.69 -3.44 116.42 116.38 1vyj h ASP 63 Ca 0.16 0.17 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 1vyj h ASP 63 Cb 1.01 0.15 -0.25 0.00 0.22 0.00 0.00 39.33 40.46 1vyj h ASP 63 CO 0.20 -0.04 -0.56 -0.13 -1.72 0.00 0.00 179.24 176.99 1vyj s ARG 64 N -5.86 0.22 0.67 3.56 1.81 -1.26 -4.88 118.95 113.21 1vyj s ARG 64 Ca -0.11 0.02 -0.16 0.00 -1.72 0.00 0.00 55.73 53.75 1vyj s ARG 64 Cb 0.26 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.86 1vyj s ARG 64 CO 0.78 -0.04 1.20 -0.80 -0.68 0.00 0.00 175.30 175.76 1vyj s ASN 65 N -0.31 4.68 -0.06 0.23 0.02 -1.26 -4.89 114.94 113.36 1vyj s ASN 65 Ca -0.04 2.33 -0.04 0.00 -1.02 0.00 0.00 52.86 54.09 1vyj s ASN 65 Cb -0.03 -2.59 0.02 0.00 0.02 0.00 0.00 41.25 38.68 1vyj s ASN 65 CO 0.00 -1.93 0.14 -0.76 0.02 0.00 0.00 177.10 174.57 1vyj s LEU 66 N -4.70 1.22 -0.44 0.60 1.43 -0.61 -4.97 118.68 111.21 1vyj s LEU 66 Ca 0.75 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1vyj s LEU 66 Cb -0.29 0.45 0.12 0.00 0.03 0.00 0.00 46.19 46.50 1vyj s LEU 66 CO 0.40 -0.08 0.19 0.00 0.23 0.00 0.00 176.35 177.09 1vyj s ALA 67 N 0.44 2.80 -0.31 4.21 0.00 -1.26 -0.20 121.76 127.44 1vyj s ALA 67 Ca -0.03 -2.82 -0.26 0.00 0.00 0.00 0.00 51.96 48.86 1vyj s ALA 67 Cb -0.04 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.07 1vyj s ALA 67 CO -0.02 -1.92 0.90 -1.64 0.00 0.00 0.00 175.76 173.07 1vyj s MET 68 N 0.29 4.00 -0.19 0.00 -1.94 -0.50 -4.83 119.30 116.13 1vyj s MET 68 Ca 0.15 0.77 -0.26 0.00 -1.71 0.00 0.00 55.69 54.64 1vyj s MET 68 Cb -0.23 -3.73 -0.01 0.00 2.01 0.00 0.00 34.83 32.86 1vyj s MET 68 CO -0.04 -0.76 0.87 0.20 -0.01 0.00 0.00 175.02 175.27 1vyj s GLY 69 N 1.63 2.01 -0.04 -0.03 0.00 -1.23 -0.44 107.32 109.22 1vyj s GLY 69 Ca 0.37 0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.15 1vyj s GLY 69 CO 0.13 1.77 -0.06 0.14 0.00 0.00 0.00 173.10 175.09 1vyj s VAL 70 N 2.38 0.61 -0.46 1.40 1.01 -0.54 -1.14 120.40 123.66 1vyj s VAL 70 Ca 0.39 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1vyj s VAL 70 Cb -0.16 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.64 1vyj s VAL 70 CO 0.11 0.23 1.35 0.21 0.00 0.00 0.00 175.10 177.00 1vyj s ASN 71 N 0.66 6.36 0.47 3.32 3.84 -1.26 -1.36 114.94 126.97 1vyj s ASN 71 Ca -0.09 0.63 0.25 0.00 0.21 0.00 0.00 52.86 53.86 1vyj s ASN 71 Cb -0.13 -2.54 1.15 0.00 -0.55 0.00 0.00 41.25 39.18 1vyj s ASN 71 CO 0.01 -1.45 1.93 -0.07 -2.79 0.00 0.00 177.10 174.72 1vyj h LEU 72 N 12.17 0.00 -0.05 3.21 3.38 -1.83 -0.13 115.31 132.06 1vyj h LEU 72 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1vyj h LEU 72 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1vyj h LEU 72 CO 1.12 0.19 0.02 0.74 0.09 0.00 0.00 178.44 180.59 1vyj h THR 73 N 0.00 1.17 -0.61 0.22 2.02 -1.86 -1.60 112.91 112.25 1vyj h THR 73 Ca -0.00 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 66.79 1vyj h THR 73 Cb 0.57 1.41 -0.10 0.00 -1.74 0.00 0.00 68.15 68.30 1vyj h THR 73 CO 0.02 0.14 0.03 0.28 0.37 0.00 0.00 175.52 176.36 1vyj h SER 74 N -0.11 -0.22 0.38 4.18 0.02 -1.67 -1.03 113.55 115.10 1vyj h SER 74 Ca 0.02 0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 1vyj h SER 74 Cb 0.21 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1vyj h SER 74 CO -0.00 -0.09 -0.65 -0.03 -1.14 0.00 0.00 176.83 174.92 1vyj h MET 75 N 0.14 0.25 -0.19 3.45 -1.53 -0.99 -2.22 114.93 113.84 1vyj h MET 75 Ca 0.32 -0.19 0.04 0.00 -3.44 0.00 0.00 59.70 56.43 1vyj h MET 75 Cb 0.51 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.56 1vyj h MET 75 CO -0.50 0.81 -0.04 1.03 0.14 0.00 0.00 176.91 178.35 1vyj h SER 76 N 0.18 -0.15 -0.22 1.39 0.87 -0.91 -1.65 113.55 113.06 1vyj h SER 76 Ca -0.01 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1vyj h SER 76 Cb 1.18 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1vyj h SER 76 CO 0.10 -0.05 -0.04 0.11 -0.53 0.00 0.00 176.83 176.42 1vyj h LYS 77 N 0.01 0.55 -0.71 2.24 1.57 -0.62 -0.01 116.57 119.59 1vyj h LYS 77 Ca 0.09 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1vyj h LYS 77 Cb 0.13 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1vyj h LYS 77 CO -0.18 0.60 0.39 0.82 -0.57 0.00 0.00 179.45 180.51 1vyj h ILE 78 N 0.52 1.22 0.00 1.86 2.04 -1.25 -3.16 117.51 118.74 1vyj h ILE 78 Ca 0.11 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1vyj h ILE 78 Cb 0.39 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1vyj h ILE 78 CO 0.02 0.24 -0.11 -0.07 0.00 0.00 0.00 178.15 178.23 1vyj h LEU 79 N 0.98 0.00 -2.13 1.44 3.38 -0.22 -0.14 115.31 118.62 1vyj h LEU 79 Ca 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1vyj h LEU 79 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1vyj h LEU 79 CO -0.04 0.11 -0.07 0.11 0.09 0.00 0.00 178.44 178.63 1vyj h LYS 80 N 0.00 0.00 -0.04 1.13 1.79 -1.02 -2.21 116.57 116.22 1vyj h LYS 80 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vyj h LYS 80 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 1vyj h LYS 80 CO 0.01 0.07 0.00 0.00 -1.08 0.00 0.00 179.45 178.46 1vyj s ALA 82 N -1.94 3.28 0.48 0.00 0.00 -0.83 -5.04 121.76 117.70 1vyj s ALA 82 Ca 0.06 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.68 1vyj s ALA 82 Cb 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1vyj s ALA 82 CO 0.04 0.41 0.43 0.20 0.00 0.00 0.00 175.76 176.84 1vyj s GLY 83 N -3.22 2.17 0.27 0.00 0.00 -1.26 -5.01 107.32 100.27 1vyj s GLY 83 Ca 0.29 -1.72 0.14 0.00 0.00 0.00 0.00 44.72 43.42 1vyj s GLY 83 CO 0.20 -1.78 1.52 3.43 0.00 0.00 0.00 173.10 176.47 1vyj h ASN 84 N 0.85 0.00 0.37 1.64 4.21 -1.97 -2.16 115.58 118.53 1vyj h ASN 84 Ca -0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1vyj h ASN 84 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1vyj h ASN 84 CO 0.56 0.60 -0.35 -0.62 -1.29 0.00 0.00 177.43 176.33 1vyj n GLU 85 N -3.43 0.45 -1.96 0.81 4.71 -1.26 -2.23 120.64 117.73 1vyj n GLU 85 Ca 0.00 -0.25 -0.41 0.00 -0.01 0.00 0.00 57.16 56.49 1vyj n GLU 85 Cb 0.70 -1.49 -0.01 0.00 -1.01 0.00 0.00 31.44 29.62 1vyj n GLU 85 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1vyj s ASP 86 N -2.72 6.56 -0.12 1.62 1.11 -0.81 -4.51 116.67 117.80 1vyj s ASP 86 Ca 0.19 2.83 -0.30 0.00 0.18 0.00 0.00 52.55 55.45 1vyj s ASP 86 Cb 0.19 -2.65 -0.01 0.00 1.07 0.00 0.00 42.92 41.51 1vyj s ASP 86 CO 0.59 -0.72 1.10 -0.63 1.18 0.00 0.00 175.17 176.70 1vyj s ILE 87 N -0.76 4.54 -0.10 0.77 1.01 -0.91 -1.49 121.20 124.26 1vyj s ILE 87 Ca 0.54 1.84 -0.02 0.00 0.00 0.00 0.00 60.65 63.01 1vyj s ILE 87 Cb -0.43 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 37.82 1vyj s ILE 87 CO 0.54 -0.05 -0.02 -0.63 0.00 0.00 0.00 174.94 174.78 1vyj s ILE 88 N 2.45 4.15 -0.19 2.92 1.01 0.22 -1.71 121.20 130.05 1vyj s ILE 88 Ca 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1vyj s ILE 88 Cb -0.20 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.56 1vyj s ILE 88 CO 0.17 0.57 -0.08 -0.89 0.00 0.00 0.00 174.94 174.71 1vyj s THR 89 N -0.55 1.42 0.24 2.92 2.01 -0.06 0.14 115.64 121.76 1vyj s THR 89 Ca 0.09 -0.87 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 1vyj s THR 89 Cb -0.12 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.75 1vyj s THR 89 CO 0.02 0.13 0.78 -0.76 -0.69 0.00 0.00 174.62 174.10 1vyj s LEU 90 N 1.49 4.37 -0.25 4.42 1.43 0.62 -1.72 118.68 129.04 1vyj s LEU 90 Ca -0.01 1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 54.45 1vyj s LEU 90 Cb -0.16 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.48 1vyj s LEU 90 CO -0.08 0.03 0.62 -0.60 0.23 0.00 0.00 176.35 176.55 1vyj s ARG 91 N -1.90 0.67 -0.11 1.70 3.52 -0.26 -1.06 118.95 121.50 1vyj s ARG 91 Ca 0.44 1.02 -0.09 0.00 -0.13 0.00 0.00 55.73 56.96 1vyj s ARG 91 Cb -0.18 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.44 1vyj s ARG 91 CO 0.22 -0.13 0.29 0.00 -0.81 0.00 0.00 175.30 174.88 1vyj s ALA 92 N 1.09 -0.72 1.26 6.12 0.00 -0.22 -0.82 121.76 128.48 1vyj s ALA 92 Ca -0.06 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 52.59 1vyj s ALA 92 Cb -0.05 -0.53 0.31 0.00 0.00 0.00 0.00 23.12 22.85 1vyj s ALA 92 CO -0.11 -0.15 1.09 -1.21 0.00 0.00 0.00 175.76 175.38 1vyj s GLU 93 N 0.40 -1.65 -0.12 0.00 0.41 -1.26 0.12 118.70 116.60 1vyj s GLU 93 Ca -0.02 -0.14 -0.23 0.00 -0.41 0.00 0.00 54.97 54.17 1vyj s GLU 93 Cb -0.04 -1.55 -0.26 0.00 -1.78 0.00 0.00 34.13 30.50 1vyj s GLU 93 CO -0.02 -3.98 0.66 -0.44 -0.49 0.00 0.00 175.26 171.00 1vyj h ASP 94 N -2.77 0.19 -2.17 -0.19 3.32 -1.95 -3.36 116.42 109.49 1vyj h ASP 94 Ca -0.43 -0.87 -0.64 0.00 0.02 0.00 0.00 57.03 55.10 1vyj h ASP 94 Cb 1.29 -0.06 -0.38 0.00 0.22 0.00 0.00 39.33 40.40 1vyj h ASP 94 CO 0.30 1.30 -0.25 -3.20 -1.72 0.00 0.00 179.24 175.67 1vyj n ASN 95 N -4.33 5.23 -4.98 6.45 5.15 -1.26 -4.94 115.26 116.58 1vyj n ASN 95 Ca -0.18 -3.70 -0.20 0.00 -0.60 0.00 0.00 54.58 49.91 1vyj n ASN 95 Cb 0.68 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1vyj n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vyj s ALA 96 N -3.68 4.15 -0.68 5.20 0.00 -1.26 -5.01 121.76 120.48 1vyj s ALA 96 Ca 0.47 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 51.10 1vyj s ALA 96 Cb 0.28 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.67 1vyj s ALA 96 CO -0.16 -0.18 0.75 -0.40 0.00 0.00 0.00 175.76 175.77 1vyj n ASP 97 N -1.81 1.64 -4.07 0.00 3.85 -1.26 -5.02 116.55 109.88 1vyj n ASP 97 Ca 0.02 -1.36 -0.12 0.00 -0.71 0.00 0.00 54.79 52.62 1vyj n ASP 97 Cb 0.58 -0.02 -0.11 0.00 -1.35 0.00 0.00 41.12 40.22 1vyj n ASP 97 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1vyj s THR 98 N -0.56 0.50 -0.20 2.12 -4.23 -1.26 0.50 115.64 112.51 1vyj s THR 98 Ca 0.08 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1vyj s THR 98 Cb 0.05 -0.80 0.04 0.00 1.34 0.00 0.00 72.50 73.12 1vyj s THR 98 CO 0.07 -0.52 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.29 1vyj s LEU 99 N -1.90 2.36 0.05 4.79 2.96 0.11 -4.60 118.68 122.44 1vyj s LEU 99 Ca -0.06 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 52.68 1vyj s LEU 99 Cb -0.06 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1vyj s LEU 99 CO -0.01 -0.11 1.02 0.00 -1.32 0.00 0.00 176.35 175.93 1vyj s ALA 100 N 1.34 3.23 0.01 5.97 0.00 0.00 -1.59 121.76 130.73 1vyj s ALA 100 Ca -0.00 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1vyj s ALA 100 Cb -0.16 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1vyj s ALA 100 CO -0.09 -0.22 -0.16 -0.51 0.00 0.00 0.00 175.76 174.78 1vyj s LEU 101 N 0.71 2.70 -0.05 0.00 1.02 0.12 -1.10 118.68 122.07 1vyj s LEU 101 Ca 0.52 -0.33 -0.01 0.00 0.02 0.00 0.00 54.13 54.33 1vyj s LEU 101 Cb -0.23 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.44 1vyj s LEU 101 CO 0.29 0.28 0.02 -0.69 0.02 0.00 0.00 176.35 176.27 1vyj s VAL 102 N -0.87 0.18 -0.19 -1.59 1.01 -0.70 0.03 120.40 118.26 1vyj s VAL 102 Ca 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1vyj s VAL 102 Cb -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1vyj s VAL 102 CO 0.04 0.21 -0.14 -0.36 0.00 0.00 0.00 175.10 174.85 1vyj s PHE 103 N 1.78 2.84 -0.14 5.22 0.08 0.06 -0.88 117.98 126.94 1vyj s PHE 103 Ca 0.01 -1.29 0.00 0.00 0.12 0.00 0.00 56.93 55.78 1vyj s PHE 103 Cb -0.13 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.37 1vyj s PHE 103 CO -0.04 -0.66 -0.11 -1.83 -0.10 0.00 0.00 175.22 172.49 1vyj s GLU 104 N 1.27 1.91 0.41 0.44 -1.05 -0.70 -0.22 118.70 120.76 1vyj s GLU 104 Ca 0.03 -0.46 -0.25 0.00 -0.15 0.00 0.00 54.97 54.14 1vyj s GLU 104 Cb -0.14 -1.93 -0.08 0.00 -0.44 0.00 0.00 34.13 31.54 1vyj s GLU 104 CO -0.07 -0.28 1.17 0.00 0.95 0.00 0.00 175.26 177.03 1vyj s ALA 105 N 1.58 3.13 0.10 -0.84 0.00 -1.01 -2.14 121.76 122.58 1vyj s ALA 105 Ca 0.04 0.96 0.23 0.00 0.00 0.00 0.00 51.96 53.20 1vyj s ALA 105 Cb -0.13 -3.38 0.84 0.00 0.00 0.00 0.00 23.12 20.45 1vyj s ALA 105 CO -0.09 -0.55 1.79 -1.35 0.00 0.00 0.00 175.76 175.56 1vyj h PRO 106 N 2.55 0.00 0.00 0.00 0.11 -1.91 -3.07 132.00 129.68 1vyj h PRO 106 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1vyj h PRO 106 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1vyj h PRO 106 CO 0.62 0.24 0.03 0.27 -0.21 0.00 0.00 178.00 178.95 1vyj n ASN 107 N -3.37 0.00 0.00 -2.05 2.04 -1.26 -4.99 115.26 105.63 1vyj n ASN 107 Ca 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 54.58 54.17 1vyj n ASN 107 Cb 0.45 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.68 1vyj n ASN 107 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1vyj n GLN 108 N -0.77 0.00 0.00 -3.83 3.00 -1.16 -4.92 117.38 109.70 1vyj n GLN 108 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vyj n GLN 108 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.27 1vyj n GLN 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1vyj n GLU 109 N 0.00 0.00 -3.85 -1.09 4.71 -1.26 -4.74 120.64 114.41 1vyj n GLU 109 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.80 1vyj n GLU 109 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 1vyj n GLU 109 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1vyj s LYS 110 N 0.00 4.06 -0.07 3.49 2.20 -1.26 -5.08 119.74 123.08 1vyj s LYS 110 Ca 0.00 -0.26 -0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1vyj s LYS 110 Cb 0.00 -3.33 0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1vyj s LYS 110 CO 0.00 0.32 0.14 0.08 -0.36 0.00 0.00 175.35 175.54 1vyj s VAL 111 N 0.27 -0.11 0.16 4.02 1.01 -1.26 -2.40 120.40 122.08 1vyj s VAL 111 Ca 0.07 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1vyj s VAL 111 Cb -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1vyj s VAL 111 CO -0.01 0.10 -0.07 -0.44 0.00 0.00 0.00 175.10 174.68 1vyj s SER 112 N 1.51 4.47 -0.37 3.32 0.01 0.69 -4.99 113.70 118.33 1vyj s SER 112 Ca -0.05 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.79 1vyj s SER 112 Cb -0.12 -0.85 0.17 0.00 0.21 0.00 0.00 66.02 65.42 1vyj s SER 112 CO -0.06 0.12 0.47 -0.62 0.41 0.00 0.00 173.24 173.56 1vyj s ASP 113 N -2.69 0.10 0.19 2.44 -1.08 -1.26 -0.76 116.67 113.60 1vyj s ASP 113 Ca 0.25 -1.12 0.07 0.00 -0.52 0.00 0.00 52.55 51.23 1vyj s ASP 113 Cb -0.10 1.13 -0.04 0.00 -1.46 0.00 0.00 42.92 42.46 1vyj s ASP 113 CO 0.16 -0.24 0.02 -0.31 0.52 0.00 0.00 175.17 175.31 1vyj s TYR 114 N 1.74 2.86 -0.06 -5.34 1.51 0.10 -4.99 117.35 113.18 1vyj s TYR 114 Ca 0.16 -0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1vyj s TYR 114 Cb -0.11 -1.37 0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1vyj s TYR 114 CO -0.08 0.53 0.11 -2.00 -1.11 0.00 0.00 175.55 172.99 1vyj s GLU 115 N -3.07 -0.00 -0.14 -0.62 2.12 -1.26 0.11 118.70 115.84 1vyj s GLU 115 Ca 0.28 0.42 0.02 0.00 0.36 0.00 0.00 54.97 56.06 1vyj s GLU 115 Cb -0.09 -0.32 0.01 0.00 0.26 0.00 0.00 34.13 33.98 1vyj s GLU 115 CO 0.19 -0.27 -0.21 1.41 -0.54 0.00 0.00 175.26 175.84 1vyj s MET 116 N 1.89 3.07 0.37 4.30 -2.45 -0.62 -4.92 119.30 120.94 1vyj s MET 116 Ca -0.00 -0.84 -0.26 0.00 -1.25 0.00 0.00 55.69 53.34 1vyj s MET 116 Cb -0.12 -2.46 -0.09 0.00 1.25 0.00 0.00 34.83 33.42 1vyj s MET 116 CO -0.05 0.02 1.13 0.15 1.05 0.00 0.00 175.02 177.32 1vyj s LYS 117 N 0.74 4.22 0.36 4.11 1.02 -1.26 0.07 119.74 129.00 1vyj s LYS 117 Ca -0.08 1.77 0.05 0.00 0.02 0.00 0.00 55.97 57.72 1vyj s LYS 117 Cb -0.16 -2.77 0.05 0.00 -0.52 0.00 0.00 37.83 34.43 1vyj s LYS 117 CO -0.00 -0.15 0.40 1.28 -0.92 0.00 0.00 175.35 175.96 1vyj n LEU 118 N 0.31 0.00 -3.66 3.17 4.77 0.18 -4.81 117.00 116.96 1vyj n LEU 118 Ca 0.03 -1.66 -0.11 0.00 -0.03 0.00 0.00 56.01 54.23 1vyj n LEU 118 Cb 0.47 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1vyj n LEU 118 CO 0.50 -0.56 0.27 0.00 -1.33 0.00 0.00 177.39 176.27 1vyj s MET 119 N -3.55 0.66 0.10 3.23 0.23 -0.29 -4.96 119.30 114.71 1vyj s MET 119 Ca 0.31 0.95 -0.31 0.00 -1.03 0.00 0.00 55.69 55.60 1vyj s MET 119 Cb -0.02 0.23 -0.07 0.00 -1.53 0.00 0.00 34.83 33.43 1vyj s MET 119 CO 0.19 -0.12 1.33 -0.51 -2.03 0.00 0.00 175.02 173.88 1vyj s ASP 120 N 0.88 6.91 0.03 -1.18 1.01 -1.26 -3.47 116.67 119.59 1vyj s ASP 120 Ca -0.04 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.38 1vyj s ASP 120 Cb -0.05 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1vyj s ASP 120 CO -0.07 -0.59 0.13 -1.48 0.21 0.00 0.00 175.17 173.37 1vyj s LEU 121 N 1.05 1.65 -0.05 1.23 0.05 -1.26 -5.04 118.68 116.30 1vyj s LEU 121 Ca 0.62 -0.43 -0.02 0.00 0.05 0.00 0.00 54.13 54.35 1vyj s LEU 121 Cb -0.34 0.70 -0.04 0.00 -2.05 0.00 0.00 46.19 44.46 1vyj s LEU 121 CO 0.30 -0.49 0.07 1.51 -0.55 0.00 0.00 176.35 177.19 1vyj s ASP 122 N -1.98 5.70 -0.10 1.48 3.84 -1.26 -4.98 116.67 119.38 1vyj s ASP 122 Ca -0.07 0.21 -0.04 0.00 -0.00 0.00 0.00 52.55 52.65 1vyj s ASP 122 Cb -0.02 -1.67 0.05 0.00 -1.38 0.00 0.00 42.92 39.89 1vyj s ASP 122 CO -0.03 0.33 0.20 0.68 -0.00 0.00 0.00 175.17 176.35 1vyj s VAL 123 N -1.08 -0.20 -0.31 2.11 -7.23 -1.26 -5.11 120.40 107.32 1vyj s VAL 123 Ca 0.19 0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.32 1vyj s VAL 123 Cb -0.12 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.50 1vyj s VAL 123 CO 0.09 0.10 1.05 -1.61 -0.31 0.00 0.00 175.10 174.42 1vyj s GLU 124 N 1.83 4.06 0.05 4.82 2.02 -1.26 -5.02 118.70 125.20 1vyj s GLU 124 Ca -0.03 1.04 -0.34 0.00 0.02 0.00 0.00 54.97 55.66 1vyj s GLU 124 Cb -0.12 -3.73 -0.13 0.00 0.10 0.00 0.00 34.13 30.26 1vyj s GLU 124 CO -0.07 -0.87 1.73 0.94 0.02 0.00 0.00 175.26 177.01 1vyj n GLN 125 N 6.78 2.21 -3.07 1.61 7.27 -1.26 -5.00 117.38 125.93 1vyj n GLN 125 Ca 0.11 0.81 -0.40 0.00 0.07 0.00 0.00 57.00 57.59 1vyj n GLN 125 Cb 0.47 -2.62 -0.05 0.00 2.41 0.00 0.00 30.24 30.45 1vyj n GLN 125 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1vyj s LEU 126 N 2.48 4.36 -0.07 1.69 1.43 -1.26 -5.06 118.68 122.25 1vyj s LEU 126 Ca 0.85 1.23 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1vyj s LEU 126 Cb -0.67 -3.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1vyj s LEU 126 CO 0.44 -0.05 1.17 -0.83 0.23 0.00 0.00 176.35 177.31 1vyj s GLY 127 N 0.44 2.12 -0.26 -3.19 0.00 -1.26 -5.04 107.32 100.13 1vyj s GLY 127 Ca 0.36 0.56 -0.09 0.00 0.00 0.00 0.00 44.72 45.56 1vyj s GLY 127 CO 0.19 2.17 0.12 -0.42 0.00 0.00 0.00 173.10 175.16 1vyj s ILE 128 N 2.24 4.76 0.32 0.90 1.01 -1.26 -5.07 121.20 124.11 1vyj s ILE 128 Ca 0.54 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 1vyj s ILE 128 Cb -0.23 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1vyj s ILE 128 CO 0.21 0.31 0.64 -2.16 0.00 0.00 0.00 174.94 173.93 1vyj s PRO 129 N 1.62 3.73 0.41 2.79 0.04 -1.26 -5.00 135.00 137.33 1vyj s PRO 129 Ca 0.07 0.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.08 1vyj s PRO 129 Cb -0.15 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 31.74 1vyj s PRO 129 CO 0.07 0.14 1.47 -1.91 0.04 0.00 0.00 177.00 176.80 1vyj n GLU 130 N -0.92 2.51 -3.63 4.56 4.07 -1.26 -4.99 120.64 120.98 1vyj n GLU 130 Ca 0.00 0.88 -0.15 0.00 -0.06 0.00 0.00 57.16 57.84 1vyj n GLU 130 Cb 0.54 -2.65 -0.07 0.00 -0.06 0.00 0.00 31.44 29.19 1vyj n GLU 130 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 1vyj s GLN 131 N -2.24 0.82 -0.18 5.31 2.00 -1.26 -5.14 119.66 118.97 1vyj s GLN 131 Ca 0.56 0.70 -0.08 0.00 -2.00 0.00 0.00 55.36 54.54 1vyj s GLN 131 Cb -0.47 0.39 -0.04 0.00 0.80 0.00 0.00 33.01 33.69 1vyj s GLN 131 CO 0.61 -0.15 0.10 -1.21 -0.50 0.00 0.00 175.29 174.14 1vyj s GLU 132 N -0.09 3.98 -0.09 1.67 0.41 -1.26 -5.08 118.70 118.24 1vyj s GLU 132 Ca -0.03 -0.27 -0.06 0.00 -0.41 0.00 0.00 54.97 54.20 1vyj s GLU 132 Cb -0.04 -3.28 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1vyj s GLU 132 CO 0.03 0.35 0.15 0.71 -0.49 0.00 0.00 175.26 176.01 1vyj s TYR 133 N 0.18 3.58 -0.03 1.61 1.51 -1.26 -4.89 117.35 118.05 1vyj s TYR 133 Ca 0.07 0.48 0.18 0.00 -1.01 0.00 0.00 57.07 56.79 1vyj s TYR 133 Cb -0.12 -1.91 0.39 0.00 -0.11 0.00 0.00 41.96 40.21 1vyj s TYR 133 CO -0.00 0.71 1.59 0.77 -1.11 0.00 0.00 175.55 177.51 1vyj h SER 134 N 4.72 0.00 -3.28 2.29 0.02 -1.25 -3.44 113.55 112.61 1vyj h SER 134 Ca -0.54 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.16 1vyj h SER 134 Cb 1.22 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.43 1vyj h SER 134 CO 0.60 0.40 -0.59 0.00 -1.14 0.00 0.00 176.83 176.11 1vyj s VAL 136 N 1.60 1.55 -0.21 0.00 1.01 -0.77 -1.17 120.40 122.41 1vyj s VAL 136 Ca -0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1vyj s VAL 136 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1vyj s VAL 136 CO -0.06 0.12 0.08 -0.69 0.00 0.00 0.00 175.10 174.55 1vyj s VAL 137 N 1.43 4.77 -0.23 2.92 1.01 0.39 -0.92 120.40 129.76 1vyj s VAL 137 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1vyj s VAL 137 Cb -0.16 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1vyj s VAL 137 CO -0.08 0.40 -0.01 -0.75 0.00 0.00 0.00 175.10 174.67 1vyj s LYS 138 N 0.83 3.41 0.23 2.72 2.20 0.45 -0.16 119.74 129.42 1vyj s LYS 138 Ca 0.04 -0.61 -0.08 0.00 -0.36 0.00 0.00 55.97 54.96 1vyj s LYS 138 Cb -0.13 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1vyj s LYS 138 CO 0.02 -0.22 0.32 0.00 -0.36 0.00 0.00 175.35 175.12 1vyj s MET 139 N 1.51 1.39 0.31 4.03 0.23 -0.52 -1.05 119.30 125.19 1vyj s MET 139 Ca 0.06 -1.42 -0.29 0.00 -1.03 0.00 0.00 55.69 53.01 1vyj s MET 139 Cb -0.15 0.38 -0.10 0.00 -1.53 0.00 0.00 34.83 33.43 1vyj s MET 139 CO -0.01 -0.53 1.34 -2.14 -2.03 0.00 0.00 175.02 171.65 1vyj s PRO 140 N -4.08 4.33 0.09 3.16 0.02 -1.26 -0.01 135.00 137.24 1vyj s PRO 140 Ca 0.30 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.51 1vyj s PRO 140 Cb 0.03 -3.08 -0.25 0.00 0.02 0.00 0.00 34.50 31.22 1vyj s PRO 140 CO 0.10 -0.26 1.17 0.66 -0.33 0.00 0.00 177.00 178.35 1vyj h SER 141 N 3.84 0.44 -0.81 2.53 4.64 -1.05 -2.59 113.55 120.55 1vyj h SER 141 Ca -0.48 -0.45 0.16 0.00 -0.47 0.00 0.00 61.79 60.55 1vyj h SER 141 Cb 1.22 -0.14 -0.15 0.00 -0.31 0.00 0.00 62.40 63.02 1vyj h SER 141 CO 0.69 1.33 -0.19 1.23 -0.87 0.00 0.00 176.83 179.02 1vyj h GLY 142 N 1.53 0.61 0.96 -0.77 0.00 -1.87 -1.81 103.07 101.72 1vyj h GLY 142 Ca -0.12 0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 1vyj h GLY 142 CO 0.20 -0.31 -0.37 -2.09 0.00 0.00 0.00 176.54 173.97 1vyj h GLU 143 N 0.01 0.66 0.06 4.80 4.57 -1.85 -0.07 114.58 122.76 1vyj h GLU 143 Ca 0.39 -0.40 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1vyj h GLU 143 Cb 0.61 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 1vyj h GLU 143 CO -0.82 1.02 -0.30 0.35 -1.18 0.00 0.00 179.01 178.08 1vyj h PHE 144 N 0.37 -0.81 -0.82 0.92 3.57 -1.35 0.91 116.94 119.73 1vyj h PHE 144 Ca 0.02 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.67 1vyj h PHE 144 Cb 0.96 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.99 1vyj h PHE 144 CO 0.08 -0.40 0.53 0.00 -2.23 0.00 0.00 178.31 176.30 1vyj h ALA 145 N 0.24 1.86 -0.39 2.41 0.00 -1.19 -0.33 119.26 121.87 1vyj h ALA 145 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1vyj h ALA 145 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1vyj h ALA 145 CO -0.21 -0.06 0.12 -0.09 0.00 0.00 0.00 179.25 179.01 1vyj h ARG 146 N 0.65 0.61 0.14 0.00 2.43 0.22 -1.65 114.38 116.77 1vyj h ARG 146 Ca 0.39 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1vyj h ARG 146 Cb 0.62 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1vyj h ARG 146 CO -0.16 0.61 -0.07 0.82 -1.51 0.00 0.00 179.97 179.67 1vyj h ILE 147 N 0.48 0.96 -0.74 1.20 5.03 0.15 0.32 117.51 124.91 1vyj h ILE 147 Ca 0.12 -0.43 0.06 0.00 -0.12 0.00 0.00 64.86 64.50 1vyj h ILE 147 Cb 0.26 1.22 -0.05 0.00 -3.03 0.00 0.00 36.82 35.23 1vyj h ILE 147 CO -0.00 0.10 0.49 0.00 -0.68 0.00 0.00 178.15 178.06 1vyj h ARG 149 N 0.79 -0.19 -0.47 0.00 2.43 -1.13 -3.01 114.38 112.79 1vyj h ARG 149 Ca 0.32 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 1vyj h ARG 149 Cb 0.24 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.76 1vyj h ARG 149 CO -0.11 0.24 0.00 -0.44 -1.51 0.00 0.00 179.97 178.15 1vyj h ASP 150 N -0.73 -0.19 1.24 -3.80 3.32 -0.64 -2.29 116.42 113.33 1vyj h ASP 150 Ca -0.02 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1vyj h ASP 150 Cb 0.52 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1vyj h ASP 150 CO 0.03 -0.06 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.30 1vyj h LEU 151 N 0.12 0.00 0.00 1.55 3.38 -1.21 0.52 115.31 119.66 1vyj h LEU 151 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1vyj h LEU 151 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1vyj h LEU 151 CO -0.38 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 176.73 1vyj n SER 152 N -3.21 0.00 0.22 -0.43 3.41 -0.87 -0.62 113.62 112.12 1vyj n SER 152 Ca 0.01 -0.44 0.15 0.00 -0.26 0.00 0.00 58.87 58.33 1vyj n SER 152 Cb 0.43 -0.13 0.54 0.00 -0.26 0.00 0.00 64.21 64.80 1vyj n SER 152 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1vyj h HIS 153 N 0.00 0.00 0.00 7.33 3.86 -0.84 -3.39 115.15 122.11 1vyj h HIS 153 Ca 0.00 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.90 1vyj h HIS 153 Cb 0.10 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 1vyj h HIS 153 CO 0.00 0.00 -2.05 -0.89 0.86 0.00 0.00 177.93 175.85 1vyj n ILE 154 N -2.79 1.04 -3.83 2.45 2.08 0.21 -5.03 119.36 113.49 1vyj n ILE 154 Ca 0.02 -0.27 -0.10 0.00 0.56 0.00 0.00 62.75 62.96 1vyj n ILE 154 Cb 0.33 -1.71 -0.01 0.00 -0.75 0.00 0.00 39.64 37.50 1vyj n ILE 154 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1vyj n GLY 155 N 1.88 1.97 0.25 7.39 0.00 -0.69 -3.28 105.19 112.70 1vyj n GLY 155 Ca -0.37 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.26 1vyj n GLY 155 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vyj n ASP 156 N -1.63 1.30 -3.96 1.61 5.68 -1.26 -4.12 116.55 114.18 1vyj n ASP 156 Ca -0.02 -2.55 -0.11 0.00 -0.50 0.00 0.00 54.79 51.61 1vyj n ASP 156 Cb 0.45 -0.31 -0.12 0.00 -1.14 0.00 0.00 41.12 40.00 1vyj n ASP 156 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vyj s ALA 157 N -1.55 0.16 -0.04 2.12 0.00 -1.26 -2.82 121.76 118.37 1vyj s ALA 157 Ca 0.17 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1vyj s ALA 157 Cb 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 1vyj s ALA 157 CO 0.02 -0.08 -0.22 0.54 0.00 0.00 0.00 175.76 176.01 1vyj s VAL 158 N -0.93 2.32 -0.28 0.00 0.11 0.28 -4.33 120.40 117.57 1vyj s VAL 158 Ca -0.09 -0.99 -0.10 0.00 -2.93 0.00 0.00 61.98 57.87 1vyj s VAL 158 Cb -0.07 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 1vyj s VAL 158 CO -0.00 0.58 0.15 -0.69 -3.33 0.00 0.00 175.10 171.80 1vyj s VAL 159 N -0.44 4.90 -0.18 2.04 1.01 0.21 -1.40 120.40 126.54 1vyj s VAL 159 Ca 0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1vyj s VAL 159 Cb -0.12 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1vyj s VAL 159 CO 0.01 0.24 -0.05 -0.63 0.00 0.00 0.00 175.10 174.67 1vyj s ILE 160 N 1.69 3.50 -0.04 2.22 1.01 0.11 -1.02 121.20 128.67 1vyj s ILE 160 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1vyj s ILE 160 Cb -0.16 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1vyj s ILE 160 CO 0.08 0.46 -0.13 -0.94 0.00 0.00 0.00 174.94 174.41 1vyj s SER 161 N 0.94 1.74 0.10 3.58 1.04 -0.57 -0.81 113.70 119.72 1vyj s SER 161 Ca -0.00 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.24 1vyj s SER 161 Cb -0.15 -0.59 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 1vyj s SER 161 CO 0.01 0.09 -0.25 0.00 0.98 0.00 0.00 173.24 174.06 1vyj s ALA 163 N -1.00 0.03 0.32 0.00 0.00 -0.18 -2.89 121.76 118.04 1vyj s ALA 163 Ca 0.11 -1.10 0.18 0.00 0.00 0.00 0.00 51.96 51.16 1vyj s ALA 163 Cb -0.10 1.00 1.16 0.00 0.00 0.00 0.00 23.12 25.19 1vyj s ALA 163 CO 0.04 -0.87 1.36 1.17 0.00 0.00 0.00 175.76 177.46 1vyj n LYS 164 N -0.50 -0.05 -0.07 0.00 4.81 -1.26 -2.66 118.16 118.43 1vyj n LYS 164 Ca -0.02 1.18 -0.08 0.00 -0.87 0.00 0.00 58.31 58.52 1vyj n LYS 164 Cb 0.61 -2.13 -0.10 0.00 0.02 0.00 0.00 35.03 33.42 1vyj n LYS 164 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1vyj n ASP 165 N -4.93 1.74 -3.62 3.14 5.68 -1.26 -4.87 116.55 112.44 1vyj n ASP 165 Ca 0.33 -0.01 0.01 0.00 -0.50 0.00 0.00 54.79 54.62 1vyj n ASP 165 Cb 1.12 0.69 -0.01 0.00 -1.14 0.00 0.00 41.12 41.78 1vyj n ASP 165 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1vyj s GLY 166 N -4.83 -0.41 -0.11 6.12 0.00 -1.09 -0.32 107.32 106.69 1vyj s GLY 166 Ca -0.09 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.40 1vyj s GLY 166 CO 0.54 0.14 -0.24 0.54 0.00 0.00 0.00 173.10 174.09 1vyj s VAL 167 N -2.43 2.08 -0.09 1.40 0.11 0.11 -1.01 120.40 120.57 1vyj s VAL 167 Ca 0.14 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.21 1vyj s VAL 167 Cb 0.05 -1.80 -0.01 0.00 -1.53 0.00 0.00 36.38 33.09 1vyj s VAL 167 CO -0.04 0.56 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.35 1vyj s LYS 168 N 0.40 2.96 -0.19 1.54 2.20 -0.14 0.35 119.74 126.86 1vyj s LYS 168 Ca -0.17 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 54.61 1vyj s LYS 168 Cb -0.18 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1vyj s LYS 168 CO 0.08 0.30 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.23 1vyj s PHE 169 N 0.08 2.91 -0.02 4.03 0.40 -0.65 -1.51 117.98 123.23 1vyj s PHE 169 Ca -0.08 -0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 55.35 1vyj s PHE 169 Cb -0.15 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.37 1vyj s PHE 169 CO 0.05 -0.45 0.04 -1.54 0.70 0.00 0.00 175.22 174.02 1vyj s SER 170 N 1.10 -0.02 0.13 1.36 1.04 -0.19 -0.66 113.70 116.46 1vyj s SER 170 Ca 0.01 0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.49 1vyj s SER 170 Cb -0.15 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1vyj s SER 170 CO -0.01 -0.04 0.07 0.00 0.98 0.00 0.00 173.24 174.24 1vyj s ALA 171 N 0.25 0.78 -0.01 5.32 0.00 -0.97 0.68 121.76 127.81 1vyj s ALA 171 Ca -0.02 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1vyj s ALA 171 Cb -0.03 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1vyj s ALA 171 CO -0.01 -0.49 0.25 0.45 0.00 0.00 0.00 175.76 175.96 1vyj s SER 172 N -3.04 -0.11 0.00 0.00 0.15 -1.26 -1.43 113.70 108.00 1vyj s SER 172 Ca 0.23 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1vyj s SER 172 Cb 0.07 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1vyj s SER 172 CO 0.01 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1vyj n GLY 173 N 1.31 2.82 0.27 9.45 0.00 -0.85 -4.29 105.19 113.91 1vyj n GLY 173 Ca -0.22 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 44.85 1vyj n GLY 173 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vyj h GLU 174 N 0.00 0.46 0.00 1.61 4.57 -1.99 -2.77 114.58 116.46 1vyj h GLU 174 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1vyj h GLU 174 Cb 0.00 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1vyj h GLU 174 CO 0.00 0.31 -0.26 1.37 -1.18 0.00 0.00 179.01 179.25 1vyj h LEU 175 N 0.48 0.00 0.00 1.64 8.10 -1.96 -3.49 115.31 120.08 1vyj h LEU 175 Ca 0.39 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 58.35 1vyj h LEU 175 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 1vyj h LEU 175 CO -0.36 0.02 0.00 0.61 -4.11 0.00 0.00 178.44 174.59 1vyj n GLY 176 N 1.21 0.92 3.48 0.17 0.00 -1.05 -5.14 105.19 104.77 1vyj n GLY 176 Ca 0.04 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 1vyj n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vyj s ASN 177 N -4.00 3.88 0.20 1.61 2.20 -1.26 -2.00 114.94 115.58 1vyj s ASN 177 Ca 0.00 -0.45 0.11 0.00 -0.94 0.00 0.00 52.86 51.57 1vyj s ASN 177 Cb 0.00 -0.62 -0.04 0.00 -2.00 0.00 0.00 41.25 38.59 1vyj s ASN 177 CO 0.00 0.23 -0.18 -0.83 -2.94 0.00 0.00 177.10 173.38 1vyj s GLY 178 N -1.69 1.74 -0.39 0.45 0.00 -0.52 -5.02 107.32 101.89 1vyj s GLY 178 Ca 0.16 -1.62 0.04 0.00 0.00 0.00 0.00 44.72 43.30 1vyj s GLY 178 CO 0.07 -1.66 0.44 0.21 0.00 0.00 0.00 173.10 172.16 1vyj s ASN 179 N -2.87 0.56 -0.08 1.64 2.47 -1.26 -2.30 114.94 113.10 1vyj s ASN 179 Ca 0.24 -1.48 -0.23 0.00 0.42 0.00 0.00 52.86 51.81 1vyj s ASN 179 Cb -0.08 0.85 -0.04 0.00 -1.45 0.00 0.00 41.25 40.54 1vyj s ASN 179 CO 0.12 -0.23 0.67 -0.63 -3.72 0.00 0.00 177.10 173.31 1vyj s ILE 180 N 1.44 5.06 -0.13 -5.21 1.01 0.17 -4.95 121.20 118.59 1vyj s ILE 180 Ca 0.18 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.22 1vyj s ILE 180 Cb -0.12 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1vyj s ILE 180 CO -0.04 0.25 -0.20 -0.75 0.00 0.00 0.00 174.94 174.21 1vyj s LYS 181 N 0.86 2.76 -0.29 2.79 2.20 -1.26 -1.63 119.74 125.17 1vyj s LYS 181 Ca 0.36 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1vyj s LYS 181 Cb -0.17 -2.27 -0.00 0.00 -1.51 0.00 0.00 37.83 33.87 1vyj s LYS 181 CO 0.17 -0.04 0.09 -0.51 -0.36 0.00 0.00 175.35 174.69 1vyj s LEU 182 N 0.91 3.77 -0.06 5.43 1.43 0.15 -4.98 118.68 125.33 1vyj s LEU 182 Ca -0.06 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.24 1vyj s LEU 182 Cb -0.15 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1vyj s LEU 182 CO -0.03 -0.15 0.73 -0.44 0.23 0.00 0.00 176.35 176.69 1vyj s SER 183 N 1.54 7.02 -0.83 2.29 0.01 -1.26 -0.72 113.70 121.76 1vyj s SER 183 Ca 0.04 1.23 -0.26 0.00 1.31 0.00 0.00 55.95 58.28 1vyj s SER 183 Cb -0.17 -2.43 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 1vyj s SER 183 CO 0.03 -0.14 2.51 1.67 0.41 0.00 0.00 173.24 177.71 1vyj n GLN 184 N 3.87 0.36 0.00 12.44 7.27 0.56 -4.72 117.38 137.16 1vyj n GLN 184 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1vyj n GLN 184 Cb 0.51 -2.22 0.00 0.00 2.41 0.00 0.00 30.24 30.94 1vyj n GLN 184 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1vyj n THR 185 N 7.48 0.00 0.01 1.69 -2.24 -0.69 -4.90 114.28 115.63 1vyj n THR 185 Ca 0.56 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1vyj n THR 185 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1vyj n THR 185 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vyj n SER 186 N 0.00 -0.22 -2.84 3.42 7.64 -1.26 -5.04 113.62 115.32 1vyj n SER 186 Ca 0.00 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1vyj n SER 186 Cb 0.00 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1vyj n SER 186 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1vyj n ASN 187 N -2.71 -0.08 -3.61 6.43 0.23 -1.26 -5.08 115.26 109.18 1vyj n ASN 187 Ca 0.00 -0.25 -0.27 0.00 -0.53 0.00 0.00 54.58 53.52 1vyj n ASN 187 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 1vyj n ASN 187 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1vyj s VAL 188 N -0.29 0.05 0.00 3.53 1.01 -1.26 -4.94 120.40 118.50 1vyj s VAL 188 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1vyj s VAL 188 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1vyj s VAL 188 CO 0.00 -0.43 0.02 -0.67 0.00 0.00 0.00 175.10 174.02 1vyj n ASP 189 N 5.22 0.04 0.00 3.32 2.03 -1.26 -5.14 116.55 120.76 1vyj n ASP 189 Ca -0.07 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 54.95 1vyj n ASP 189 Cb 0.46 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1vyj n ASP 189 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1vyj n LYS 190 N -0.15 0.00 0.00 -0.67 5.02 -1.26 -5.00 118.16 116.10 1vyj n LYS 190 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1vyj n LYS 190 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.05 1vyj n LYS 190 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1vyj n GLU 191 N 0.00 0.00 0.00 1.97 1.02 -1.26 -4.32 120.64 118.05 1vyj n GLU 191 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1vyj n GLU 191 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1vyj n GLU 191 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1vyj n GLU 192 N -0.30 1.13 0.00 3.49 2.13 -1.26 -4.09 120.64 121.74 1vyj n GLU 192 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1vyj n GLU 192 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1vyj n GLU 192 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1vyj n GLU 193 N 0.00 0.00 -2.03 5.31 1.02 -1.26 -4.57 120.64 119.11 1vyj n GLU 193 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1vyj n GLU 193 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1vyj n GLU 193 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vyj s ALA 194 N 0.00 3.41 -0.19 0.62 0.00 -1.26 -4.83 121.76 119.52 1vyj s ALA 194 Ca 0.00 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1vyj s ALA 194 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1vyj s ALA 194 CO 0.00 -1.73 0.31 0.08 0.00 0.00 0.00 175.76 174.43 1vyj s VAL 195 N 4.81 5.27 0.01 0.00 1.01 -1.26 -4.21 120.40 126.03 1vyj s VAL 195 Ca 0.74 0.54 0.01 0.00 0.00 0.00 0.00 61.98 63.28 1vyj s VAL 195 Cb -0.30 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1vyj s VAL 195 CO 0.30 0.32 -0.05 0.28 0.00 0.00 0.00 175.10 175.96 1vyj s THR 196 N 0.92 0.33 -0.09 3.92 -1.32 -0.21 -1.70 115.64 117.48 1vyj s THR 196 Ca 0.16 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1vyj s THR 196 Cb -0.14 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.53 1vyj s THR 196 CO 0.06 -0.14 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.63 1vyj s ILE 197 N -0.65 0.91 -0.46 5.08 1.01 -1.26 -0.41 121.20 125.42 1vyj s ILE 197 Ca -0.04 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 1vyj s ILE 197 Cb -0.05 -0.93 0.09 0.00 0.01 0.00 0.00 42.46 41.58 1vyj s ILE 197 CO -0.00 0.34 0.35 -1.61 0.00 0.00 0.00 174.94 174.02 1vyj s GLU 198 N 1.47 2.79 -0.07 2.79 2.02 -0.10 -4.96 118.70 122.64 1vyj s GLU 198 Ca -0.00 -1.48 0.02 0.00 0.02 0.00 0.00 54.97 53.53 1vyj s GLU 198 Cb -0.13 -4.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.07 1vyj s GLU 198 CO -0.05 -1.06 -0.11 1.41 0.02 0.00 0.00 175.26 175.47 1vyj s MET 199 N 1.53 2.73 -0.08 1.61 1.75 -1.26 -1.85 119.30 123.72 1vyj s MET 199 Ca 0.04 -0.64 -0.02 0.00 -1.25 0.00 0.00 55.69 53.82 1vyj s MET 199 Cb -0.25 -2.50 -0.04 0.00 2.84 0.00 0.00 34.83 34.88 1vyj s MET 199 CO 0.04 0.58 -0.09 0.09 -0.65 0.00 0.00 175.02 174.98 1vyj n ASN 200 N 2.46 1.78 -4.09 1.11 4.13 0.27 -4.98 115.26 115.94 1vyj n ASN 200 Ca -0.18 0.04 -0.13 0.00 1.68 0.00 0.00 54.58 56.00 1vyj n ASN 200 Cb 0.52 -0.20 -0.09 0.00 -1.54 0.00 0.00 39.78 38.47 1vyj n ASN 200 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1vyj s GLU 201 N -2.16 1.29 0.54 3.52 8.01 -1.16 -5.08 118.70 123.67 1vyj s GLU 201 Ca -0.11 -1.65 -0.16 0.00 0.01 0.00 0.00 54.97 53.06 1vyj s GLU 201 Cb 0.04 0.29 -0.07 0.00 -4.31 0.00 0.00 34.13 30.08 1vyj s GLU 201 CO 0.16 -0.44 1.00 -2.14 0.01 0.00 0.00 175.26 173.86 1vyj s PRO 202 N -4.06 3.80 0.03 0.39 0.02 -1.26 -4.28 135.00 129.64 1vyj s PRO 202 Ca 0.38 0.97 -0.05 0.00 0.02 0.00 0.00 61.00 62.32 1vyj s PRO 202 Cb 0.06 -2.11 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1vyj s PRO 202 CO 0.14 -0.40 0.07 0.08 -0.33 0.00 0.00 177.00 176.56 1vyj s VAL 203 N -2.67 0.13 -0.08 3.83 1.01 -1.14 -5.00 120.40 116.48 1vyj s VAL 203 Ca 0.59 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1vyj s VAL 203 Cb -0.11 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.53 1vyj s VAL 203 CO 0.35 -0.59 0.15 -1.58 0.00 0.00 0.00 175.10 173.44 1vyj s GLN 204 N -2.38 0.05 0.34 2.72 0.74 -1.26 -1.00 119.66 118.87 1vyj s GLN 204 Ca -0.07 0.50 0.07 0.00 0.05 0.00 0.00 55.36 55.91 1vyj s GLN 204 Cb -0.03 -0.25 -0.03 0.00 1.10 0.00 0.00 33.01 33.80 1vyj s GLN 204 CO -0.04 -0.26 0.28 -0.51 -0.55 0.00 0.00 175.29 174.21 1vyj s LEU 205 N 1.95 1.78 -0.04 3.68 1.02 0.01 -4.93 118.68 122.15 1vyj s LEU 205 Ca -0.01 -1.77 0.01 0.00 0.02 0.00 0.00 54.13 52.38 1vyj s LEU 205 Cb -0.12 0.54 0.02 0.00 0.02 0.00 0.00 46.19 46.65 1vyj s LEU 205 CO -0.06 -1.07 -0.03 -0.89 0.02 0.00 0.00 176.35 174.32 1vyj s THR 206 N -3.42 0.44 0.24 5.49 2.01 -1.26 -0.71 115.64 118.43 1vyj s THR 206 Ca 0.40 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1vyj s THR 206 Cb 0.02 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 1vyj s THR 206 CO 0.28 0.20 0.24 -0.36 -0.69 0.00 0.00 174.62 174.29 1vyj s PHE 207 N 0.86 1.12 -0.25 4.92 0.08 -0.49 -0.94 117.98 123.27 1vyj s PHE 207 Ca -0.11 -1.31 -0.10 0.00 0.12 0.00 0.00 56.93 55.54 1vyj s PHE 207 Cb -0.14 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1vyj s PHE 207 CO -0.00 -0.78 0.14 0.00 -0.10 0.00 0.00 175.22 174.47 1vyj s ALA 208 N -3.92 3.47 0.32 5.36 0.00 -1.26 -0.56 121.76 125.17 1vyj s ALA 208 Ca 0.36 -0.98 0.16 0.00 0.00 0.00 0.00 51.96 51.50 1vyj s ALA 208 Cb 0.04 -2.27 0.78 0.00 0.00 0.00 0.00 23.12 21.67 1vyj s ALA 208 CO 0.15 -0.31 1.82 -0.07 0.00 0.00 0.00 175.76 177.35 1vyj h LEU 209 N 7.81 0.00 -0.94 0.00 3.38 -1.86 -2.22 115.31 121.48 1vyj h LEU 209 Ca -0.37 0.00 0.27 0.00 0.09 0.00 0.00 57.88 57.87 1vyj h LEU 209 Cb 1.18 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.76 1vyj h LEU 209 CO 0.61 0.36 0.16 -0.09 0.09 0.00 0.00 178.44 179.57 1vyj h ARG 210 N 0.00 0.07 0.06 1.13 2.43 -1.93 -1.44 114.38 114.70 1vyj h ARG 210 Ca -0.00 -0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.88 1vyj h ARG 210 Cb 0.71 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1vyj h ARG 210 CO 0.05 0.05 -1.44 1.88 -1.51 0.00 0.00 179.97 179.00 1vyj h TYR 211 N 0.08 0.23 0.00 2.20 -1.99 -1.80 -3.22 116.97 112.47 1vyj h TYR 211 Ca 0.61 -0.17 -0.03 0.00 2.00 0.00 0.00 58.73 61.14 1vyj h TYR 211 Cb 1.30 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 40.01 1vyj h TYR 211 CO -0.36 1.20 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.80 1vyj h LEU 212 N 0.04 0.00 0.00 3.88 3.38 -1.32 -2.73 115.31 118.56 1vyj h LEU 212 Ca -0.19 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 1vyj h LEU 212 Cb 1.95 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.68 1vyj h LEU 212 CO 0.13 0.14 -0.98 0.78 0.09 0.00 0.00 178.44 178.60 1vyj h ASN 213 N 0.00 0.00 -0.87 -0.43 2.35 -1.32 -1.73 115.58 113.58 1vyj h ASN 213 Ca -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1vyj h ASN 213 Cb 0.41 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1vyj h ASN 213 CO 0.02 0.69 0.57 -0.26 -1.65 0.00 0.00 177.43 176.80 1vyj h PHE 214 N 0.00 1.09 -0.29 1.19 0.04 -1.54 -3.32 116.94 114.11 1vyj h PHE 214 Ca -0.08 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 1vyj h PHE 214 Cb 1.59 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 39.37 1vyj h PHE 214 CO 0.00 0.69 -0.50 0.74 -0.60 0.00 0.00 178.31 178.65 1vyj h PHE 215 N 1.18 1.00 0.00 -0.55 0.04 -1.11 -2.51 116.94 114.98 1vyj h PHE 215 Ca 0.32 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1vyj h PHE 215 Cb -0.13 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 37.82 1vyj h PHE 215 CO 0.00 1.14 0.00 0.25 -0.60 0.00 0.00 178.31 179.10 1vyj n THR 216 N -4.01 0.34 1.13 -1.55 -2.24 -0.70 -0.84 114.28 106.41 1vyj n THR 216 Ca -0.03 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1vyj n THR 216 Cb 0.59 -1.00 0.59 0.00 -2.10 0.00 0.00 70.33 68.42 1vyj n THR 216 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vyj n LYS 217 N -1.10 0.37 -0.06 -0.78 5.02 -0.95 -1.86 118.16 118.80 1vyj n LYS 217 Ca 0.04 0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1vyj n LYS 217 Cb 0.03 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.62 1vyj n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vyj n ALA 218 N -1.26 2.49 -0.07 7.82 0.00 -0.02 -4.16 120.51 125.31 1vyj n ALA 218 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1vyj n ALA 218 Cb 0.17 -1.01 0.26 0.00 0.00 0.00 0.00 19.45 18.87 1vyj n ALA 218 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1vyj h THR 219 N 0.67 1.20 0.00 0.00 2.02 -1.61 -1.07 112.91 114.11 1vyj h THR 219 Ca 0.00 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1vyj h THR 219 Cb 0.15 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1vyj h THR 219 CO 0.00 0.27 0.00 -0.65 0.37 0.00 0.00 175.52 175.51 1vyj h PRO 220 N 0.67 0.00 0.00 6.66 0.11 -1.85 -1.87 132.00 135.72 1vyj h PRO 220 Ca 0.15 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1vyj h PRO 220 Cb 0.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1vyj h PRO 220 CO -0.00 0.00 -0.64 -0.07 -0.21 0.00 0.00 178.00 177.08 1vyj h LEU 221 N 0.00 0.00 -7.19 2.35 3.38 -1.54 -3.46 115.31 108.86 1vyj h LEU 221 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1vyj h LEU 221 Cb 0.15 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.71 1vyj h LEU 221 CO 0.00 0.56 0.02 -0.55 0.09 0.00 0.00 178.44 178.56 1vyj s SER 222 N -6.42 -0.48 0.03 -0.43 0.15 -0.70 -4.63 113.70 101.21 1vyj s SER 222 Ca 0.03 0.45 0.26 0.00 0.70 0.00 0.00 55.95 57.39 1vyj s SER 222 Cb 0.08 0.46 0.77 0.00 -1.71 0.00 0.00 66.02 65.62 1vyj s SER 222 CO 0.76 -0.57 1.61 -1.54 1.20 0.00 0.00 173.24 174.70 1vyj n SER 223 N 0.96 0.37 -4.32 5.45 3.41 -1.26 -4.63 113.62 113.59 1vyj n SER 223 Ca -0.20 0.11 -0.27 0.00 -0.26 0.00 0.00 58.87 58.25 1vyj n SER 223 Cb 0.57 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 1vyj n SER 223 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1vyj s THR 224 N -3.03 1.96 0.03 6.66 -4.23 -1.26 -0.51 115.64 115.27 1vyj s THR 224 Ca 0.11 -1.48 0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1vyj s THR 224 Cb 0.17 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 1vyj s THR 224 CO 0.64 0.16 -0.22 0.54 -0.54 0.00 0.00 174.62 175.19 1vyj s VAL 225 N -0.95 1.76 -0.09 2.29 0.11 0.98 -4.62 120.40 119.88 1vyj s VAL 225 Ca 0.10 -1.17 -0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1vyj s VAL 225 Cb -0.10 -1.51 -0.03 0.00 -1.53 0.00 0.00 36.38 33.21 1vyj s VAL 225 CO 0.04 0.29 -0.00 0.42 -3.33 0.00 0.00 175.10 172.52 1vyj s THR 226 N -0.74 4.29 -0.22 5.04 -4.23 -1.06 -1.44 115.64 117.29 1vyj s THR 226 Ca 0.08 -0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1vyj s THR 226 Cb -0.09 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.92 1vyj s THR 226 CO 0.01 0.60 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.92 1vyj s LEU 227 N -0.78 3.10 -0.18 4.79 1.43 0.78 -1.45 118.68 126.37 1vyj s LEU 227 Ca 0.12 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1vyj s LEU 227 Cb -0.11 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1vyj s LEU 227 CO 0.02 0.00 -0.07 -0.44 0.23 0.00 0.00 176.35 176.10 1vyj s SER 228 N 1.35 4.30 0.01 2.29 0.01 -0.95 0.15 113.70 120.86 1vyj s SER 228 Ca 0.04 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1vyj s SER 228 Cb -0.15 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1vyj s SER 228 CO -0.00 0.08 -0.06 -0.04 0.41 0.00 0.00 173.24 173.62 1vyj s MET 229 N 0.89 0.46 0.01 12.44 -1.94 -0.32 -1.86 119.30 128.99 1vyj s MET 229 Ca -0.01 -0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 53.39 1vyj s MET 229 Cb -0.15 -0.38 0.04 0.00 2.01 0.00 0.00 34.83 36.36 1vyj s MET 229 CO 0.01 0.09 0.44 -1.12 -0.01 0.00 0.00 175.02 174.44 1vyj s SER 230 N -0.59 -0.34 0.34 3.03 0.01 -1.26 -0.75 113.70 114.14 1vyj s SER 230 Ca -0.02 0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.13 1vyj s SER 230 Cb -0.05 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.50 1vyj s SER 230 CO -0.00 -0.60 1.40 0.00 0.41 0.00 0.00 173.24 174.45 1vyj s ALA 231 N -1.92 3.55 -1.45 1.44 0.00 -1.26 -2.63 121.76 119.48 1vyj s ALA 231 Ca -0.09 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 1vyj s ALA 231 Cb -0.02 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1vyj s ALA 231 CO 0.02 -0.83 0.39 -0.25 0.00 0.00 0.00 175.76 175.09 1vyj n ASP 232 N 0.82 -0.37 -4.03 0.00 8.00 -1.26 -5.00 116.55 114.71 1vyj n ASP 232 Ca 0.01 -1.04 -0.09 0.00 0.71 0.00 0.00 54.79 54.38 1vyj n ASP 232 Cb 0.40 -2.86 -0.08 0.00 -0.02 0.00 0.00 41.12 38.56 1vyj n ASP 232 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1vyj s VAL 233 N -3.96 0.10 0.10 2.53 -7.23 -1.08 -5.08 120.40 105.78 1vyj s VAL 233 Ca 0.06 -1.59 -0.31 0.00 -1.81 0.00 0.00 61.98 58.33 1vyj s VAL 233 Cb -0.03 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 1vyj s VAL 233 CO 0.90 -0.47 1.38 -2.84 -0.31 0.00 0.00 175.10 173.77 1vyj s PRO 234 N -3.98 4.32 0.40 4.82 0.02 -1.26 -4.49 135.00 134.84 1vyj s PRO 234 Ca 0.17 2.04 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 1vyj s PRO 234 Cb 0.05 -3.30 -0.09 0.00 0.02 0.00 0.00 34.50 31.19 1vyj s PRO 234 CO -0.02 -0.44 1.10 -1.17 -0.33 0.00 0.00 177.00 176.14 1vyj s LEU 235 N 1.28 4.16 -0.23 -5.54 2.96 -0.38 -4.70 118.68 116.24 1vyj s LEU 235 Ca 0.64 2.17 -0.04 0.00 -0.22 0.00 0.00 54.13 56.68 1vyj s LEU 235 Cb -0.36 -4.11 -0.00 0.00 0.50 0.00 0.00 46.19 42.22 1vyj s LEU 235 CO 0.30 -0.58 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.02 1vyj s VAL 236 N -1.55 3.28 -0.42 1.68 1.01 -0.78 -1.52 120.40 122.11 1vyj s VAL 236 Ca 0.58 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1vyj s VAL 236 Cb -0.26 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.67 1vyj s VAL 236 CO 0.32 0.39 0.28 -0.69 0.00 0.00 0.00 175.10 175.39 1vyj s VAL 237 N 1.45 4.51 -0.19 2.92 1.01 0.13 -2.24 120.40 127.99 1vyj s VAL 237 Ca 0.05 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1vyj s VAL 237 Cb -0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1vyj s VAL 237 CO -0.04 -0.47 0.04 -0.70 0.00 0.00 0.00 175.10 173.94 1vyj s GLU 238 N 1.50 3.84 -0.32 2.72 2.12 -0.53 -0.88 118.70 127.14 1vyj s GLU 238 Ca 0.03 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1vyj s GLU 238 Cb -0.22 -3.16 0.07 0.00 0.26 0.00 0.00 34.13 31.08 1vyj s GLU 238 CO 0.04 0.18 0.02 0.71 -0.54 0.00 0.00 175.26 175.66 1vyj s TYR 239 N 0.61 3.44 -0.04 5.30 1.51 -0.02 -2.55 117.35 125.60 1vyj s TYR 239 Ca 0.02 -2.36 -0.30 0.00 -1.01 0.00 0.00 57.07 53.42 1vyj s TYR 239 Cb -0.13 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 1vyj s TYR 239 CO 0.02 -0.89 1.27 0.15 -1.11 0.00 0.00 175.55 174.99 1vyj s LYS 240 N 1.11 4.32 -0.26 -0.62 1.02 -1.26 -0.18 119.74 123.87 1vyj s LYS 240 Ca -0.00 1.77 -0.18 0.00 0.02 0.00 0.00 55.97 57.57 1vyj s LYS 240 Cb -0.20 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1vyj s LYS 240 CO -0.04 -0.50 0.53 0.42 -0.92 0.00 0.00 175.35 174.83 1vyj s ILE 241 N 2.33 5.06 -0.41 2.17 1.01 -0.90 -4.60 121.20 125.85 1vyj s ILE 241 Ca 0.58 0.89 -0.43 0.00 0.00 0.00 0.00 60.65 61.69 1vyj s ILE 241 Cb -0.27 -3.84 -0.18 0.00 0.01 0.00 0.00 42.46 38.18 1vyj s ILE 241 CO 0.23 0.07 1.75 0.00 0.00 0.00 0.00 174.94 176.99 1vyj n ALA 242 N 5.57 -0.61 -2.09 9.38 0.00 -1.26 -1.28 120.51 130.22 1vyj n ALA 242 Ca -0.04 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1vyj n ALA 242 Cb 0.50 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 1vyj n ALA 242 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vyj n ASP 243 N 5.23 -5.20 0.00 0.00 8.00 -1.26 -4.72 116.55 118.59 1vyj n ASP 243 Ca 0.32 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1vyj n ASP 243 Cb 0.03 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 1vyj n ASP 243 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1vyj n MET 244 N -2.65 0.00 0.00 -1.24 2.81 -0.40 -4.45 117.12 111.19 1vyj n MET 244 Ca -0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.69 1vyj n MET 244 Cb 0.64 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.67 1vyj n MET 244 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1vyj n GLY 245 N 1.75 -0.48 3.55 3.03 0.00 -0.98 0.66 105.19 112.72 1vyj n GLY 245 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1vyj n GLY 245 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vyj s HIS 246 N 0.00 -0.29 -0.19 1.61 -3.43 -0.86 -2.13 115.29 110.01 1vyj s HIS 246 Ca 0.00 0.14 0.01 0.00 -0.80 0.00 0.00 55.06 54.41 1vyj s HIS 246 Cb 0.00 0.55 0.04 0.00 -1.43 0.00 0.00 32.58 31.74 1vyj s HIS 246 CO 0.00 -0.54 -0.12 -1.17 -2.00 0.00 0.00 174.74 170.91 1vyj s LEU 247 N -2.53 2.17 -0.12 5.38 2.96 0.75 -1.53 118.68 125.77 1vyj s LEU 247 Ca 0.07 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 53.17 1vyj s LEU 247 Cb -0.01 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1vyj s LEU 247 CO -0.07 -0.11 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.24 1vyj s LYS 248 N 1.40 3.27 -0.18 1.98 1.02 0.13 -0.84 119.74 126.51 1vyj s LYS 248 Ca 0.00 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 1vyj s LYS 248 Cb -0.15 -2.74 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1vyj s LYS 248 CO -0.09 0.40 -0.03 0.71 -0.92 0.00 0.00 175.35 175.41 1vyj s TYR 249 N -0.09 2.99 -0.09 3.18 2.02 -0.06 -1.08 117.35 124.21 1vyj s TYR 249 Ca 0.01 -0.54 -0.03 0.00 -0.37 0.00 0.00 57.07 56.15 1vyj s TYR 249 Cb -0.13 -2.03 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 1vyj s TYR 249 CO 0.03 -0.25 0.02 0.71 -1.57 0.00 0.00 175.55 174.49 1vyj s TYR 250 N 0.86 3.22 -0.10 2.71 1.51 0.18 -0.69 117.35 125.04 1vyj s TYR 250 Ca -0.01 0.23 -0.02 0.00 -1.01 0.00 0.00 57.07 56.27 1vyj s TYR 250 Cb -0.15 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1vyj s TYR 250 CO 0.02 0.50 0.01 -1.17 -1.11 0.00 0.00 175.55 173.80 1vyj s LEU 251 N -0.89 0.67 0.29 -1.29 2.96 -0.57 -0.99 118.68 118.85 1vyj s LEU 251 Ca 0.13 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.52 1vyj s LEU 251 Cb -0.11 -0.45 -0.10 0.00 0.50 0.00 0.00 46.19 46.02 1vyj s LEU 251 CO 0.02 -0.22 1.33 0.00 -1.32 0.00 0.00 176.35 176.17 1vyj s ALA 252 N 1.96 3.53 0.83 5.97 0.00 -0.64 -1.25 121.76 132.17 1vyj s ALA 252 Ca 0.04 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 1vyj s ALA 252 Cb -0.13 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.59 1vyj s ALA 252 CO -0.06 -0.64 1.09 -1.25 0.00 0.00 0.00 175.76 174.91 1vyj s PRO 253 N -1.23 1.78 -0.23 0.00 0.04 -1.26 -4.81 135.00 129.28 1vyj s PRO 253 Ca 0.52 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 1vyj s PRO 253 Cb -0.40 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1vyj s PRO 253 CO 0.48 -1.92 0.61 0.15 0.04 0.00 0.00 177.00 176.36 1vyj s LYS 254 N -4.93 4.15 -0.10 4.56 1.02 -0.12 -5.00 119.74 119.32 1vyj s LYS 254 Ca 0.62 0.54 -0.10 0.00 0.02 0.00 0.00 55.97 57.05 1vyj s LYS 254 Cb -0.17 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.47 1vyj s LYS 254 CO 0.56 -0.32 0.23 0.42 -0.92 0.00 0.00 175.35 175.32 1vyj s ILE 255 N 2.20 5.35 -0.24 2.17 -1.09 -1.26 -4.44 121.20 123.89 1vyj s ILE 255 Ca 0.26 0.41 -0.38 0.00 -2.23 0.00 0.00 60.65 58.72 1vyj s ILE 255 Cb -0.16 -3.52 -0.17 0.00 -1.58 0.00 0.00 42.46 37.04 1vyj s ILE 255 CO 0.09 0.57 1.18 1.21 -1.23 0.00 0.00 174.94 176.76 1vyj n GLU 256 N 2.25 0.00 0.00 2.79 4.07 -1.26 -5.17 120.64 123.32 1vyj n GLU 256 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1vyj n GLU 256 Cb 0.54 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 1vyj n GLU 256 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60