#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvj h ALA 3 N 0.00 0.90 -2.48 7.33 0.00 -1.94 -3.41 119.26 119.65 2vvj h ALA 3 Ca 0.00 -0.51 -0.62 0.00 0.00 0.00 0.00 54.91 53.79 2vvj h ALA 3 Cb 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.58 2vvj h ALA 3 CO 0.00 0.69 0.10 0.42 0.00 0.00 0.00 179.25 180.46 2vvj s ILE 4 N -3.88 4.99 0.14 0.00 -1.09 -1.26 -4.95 121.20 115.16 2vvj s ILE 4 Ca -0.04 0.94 0.03 0.00 -2.23 0.00 0.00 60.65 59.34 2vvj s ILE 4 Cb 0.12 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2vvj s ILE 4 CO 0.80 -0.02 0.25 -0.54 -1.23 0.00 0.00 174.94 174.19 2vvj s LYS 5 N 2.48 3.33 0.38 2.79 3.01 -1.26 -5.03 119.74 125.44 2vvj s LYS 5 Ca 0.24 -0.63 0.10 0.00 -1.01 0.00 0.00 55.97 54.67 2vvj s LYS 5 Cb -0.15 -2.91 0.86 0.00 -1.01 0.00 0.00 37.83 34.61 2vvj s LYS 5 CO 0.10 0.53 1.92 -1.35 0.51 0.00 0.00 175.35 177.06 2vvj h PRO 6 N 2.32 0.61 -4.23 -1.68 0.11 -1.97 -3.40 132.00 123.76 2vvj h PRO 6 Ca -0.48 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.02 2vvj h PRO 6 Cb 1.19 -0.14 -0.38 0.00 0.11 0.00 0.00 31.00 31.78 2vvj h PRO 6 CO 0.68 0.41 -0.79 -0.51 -0.21 0.00 0.00 178.00 177.58 2vvj s ASP 7 N -6.01 3.09 0.15 -2.05 1.01 -1.26 -4.03 116.67 107.56 2vvj s ASP 7 Ca -0.09 -0.79 0.07 0.00 0.71 0.00 0.00 52.55 52.45 2vvj s ASP 7 Cb 0.21 -0.99 -0.04 0.00 1.01 0.00 0.00 42.92 43.10 2vvj s ASP 7 CO 0.77 -0.19 -0.16 -0.04 0.21 0.00 0.00 175.17 175.76 2vvj s MET 8 N 1.57 1.17 0.27 8.23 -1.94 -0.66 -4.99 119.30 122.95 2vvj s MET 8 Ca -0.01 -1.36 0.03 0.00 -1.71 0.00 0.00 55.69 52.64 2vvj s MET 8 Cb -0.16 -1.11 -0.03 0.00 2.01 0.00 0.00 34.83 35.54 2vvj s MET 8 CO -0.08 0.21 0.43 0.15 -0.01 0.00 0.00 175.02 175.73 2vvj s LYS 9 N -2.87 3.46 -0.06 2.03 1.02 0.15 -1.00 119.74 122.47 2vvj s LYS 9 Ca 0.14 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 2vvj s LYS 9 Cb -0.05 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.48 2vvj s LYS 9 CO 0.05 0.33 0.00 0.42 -0.92 0.00 0.00 175.35 175.23 2vvj s ILE 10 N -2.09 0.30 0.00 2.17 1.01 0.30 -0.71 121.20 122.18 2vvj s ILE 10 Ca 0.36 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.19 2vvj s ILE 10 Cb -0.09 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 2vvj s ILE 10 CO 0.31 0.23 -0.11 0.21 0.00 0.00 0.00 174.94 175.58 2vvj s ASN 11 N 1.74 4.27 -0.12 3.58 3.84 0.74 -0.52 114.94 128.46 2vvj s ASN 11 Ca 0.01 -0.23 -0.16 0.00 0.21 0.00 0.00 52.86 52.69 2vvj s ASN 11 Cb -0.13 -0.90 0.04 0.00 -0.55 0.00 0.00 41.25 39.71 2vvj s ASN 11 CO -0.04 0.29 0.43 -0.22 -2.79 0.00 0.00 177.10 174.77 2vvj s LEU 12 N -1.26 0.38 -0.06 3.21 0.20 -0.56 -1.16 118.68 119.43 2vvj s LEU 12 Ca 0.15 0.69 -0.00 0.00 0.69 0.00 0.00 54.13 55.66 2vvj s LEU 12 Cb -0.11 1.52 0.03 0.00 -0.43 0.00 0.00 46.19 47.20 2vvj s LEU 12 CO 0.05 -0.25 -0.01 -0.60 -0.29 0.00 0.00 176.35 175.25 2vvj s ARG 13 N -0.22 0.66 -0.11 1.98 3.52 -0.76 -0.96 118.95 123.05 2vvj s ARG 13 Ca -0.04 0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.60 2vvj s ARG 13 Cb -0.03 -0.90 -0.02 0.00 -1.56 0.00 0.00 34.95 32.44 2vvj s ARG 13 CO 0.02 -0.22 -0.09 1.41 -0.81 0.00 0.00 175.30 175.61 2vvj s MET 14 N 1.57 3.17 -0.01 5.12 -2.45 0.42 -1.39 119.30 125.73 2vvj s MET 14 Ca -0.01 -0.61 0.08 0.00 -1.25 0.00 0.00 55.69 53.89 2vvj s MET 14 Cb -0.13 -2.66 -0.02 0.00 1.25 0.00 0.00 34.83 33.27 2vvj s MET 14 CO -0.03 0.40 -0.24 -1.21 1.05 0.00 0.00 175.02 174.98 2vvj s GLU 15 N -0.10 1.87 0.23 4.11 2.02 -0.48 -0.56 118.70 125.80 2vvj s GLU 15 Ca -0.00 -0.88 -0.14 0.00 0.02 0.00 0.00 54.97 53.97 2vvj s GLU 15 Cb -0.13 -1.85 0.05 0.00 0.10 0.00 0.00 34.13 32.30 2vvj s GLU 15 CO 0.03 0.50 0.70 0.41 0.02 0.00 0.00 175.26 176.93 2vvj n GLY 16 N 2.37 1.00 3.30 -1.39 0.00 -0.44 -1.93 105.19 108.11 2vvj n GLY 16 Ca -0.16 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.64 2vvj n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vvj s ASN 17 N -2.75 -0.43 -0.12 1.61 3.84 -0.33 -0.99 114.94 115.77 2vvj s ASN 17 Ca 0.15 1.03 0.02 0.00 0.21 0.00 0.00 52.86 54.28 2vvj s ASN 17 Cb -0.03 1.56 0.01 0.00 -0.55 0.00 0.00 41.25 42.23 2vvj s ASN 17 CO 0.07 -0.24 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.26 2vvj s VAL 18 N 2.68 1.82 -1.26 -5.21 1.01 -0.84 -1.03 120.40 117.57 2vvj s VAL 18 Ca -0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2vvj s VAL 18 Cb -0.12 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.69 2vvj s VAL 18 CO -0.15 0.50 0.44 0.59 0.00 0.00 0.00 175.10 176.48 2vvj n ASN 19 N 4.00 -3.87 0.00 3.32 4.13 -0.28 -1.13 115.26 121.43 2vvj n ASN 19 Ca -0.20 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.76 2vvj n ASN 19 Cb 0.52 -3.21 0.00 0.00 -1.54 0.00 0.00 39.78 35.55 2vvj n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vvj n GLY 20 N -1.15 1.24 3.54 7.41 0.00 -1.26 -5.03 105.19 109.94 2vvj n GLY 20 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2vvj n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vvj s HIS 21 N -2.40 3.10 0.36 1.61 5.04 -0.28 -5.05 115.29 117.67 2vvj s HIS 21 Ca 0.00 0.12 -0.26 0.00 -1.54 0.00 0.00 55.06 53.38 2vvj s HIS 21 Cb 0.00 -3.27 -0.09 0.00 0.04 0.00 0.00 32.58 29.26 2vvj s HIS 21 CO 0.00 -0.77 1.03 -1.58 -2.34 0.00 0.00 174.74 171.07 2vvj s HIS 22 N 2.79 3.45 0.06 3.88 2.46 -1.26 -1.99 115.29 124.68 2vvj s HIS 22 Ca 0.23 1.70 -0.15 0.00 0.47 0.00 0.00 55.06 57.31 2vvj s HIS 22 Cb -0.14 -3.09 0.03 0.00 -0.13 0.00 0.00 32.58 29.24 2vvj s HIS 22 CO 0.17 -0.36 0.34 -0.59 -2.47 0.00 0.00 174.74 171.84 2vvj s PHE 23 N -1.56 -0.15 -0.04 3.88 -0.12 -0.16 -4.26 117.98 115.56 2vvj s PHE 23 Ca 0.53 0.00 0.03 0.00 -0.05 0.00 0.00 56.93 57.45 2vvj s PHE 23 Cb -0.23 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.31 2vvj s PHE 23 CO 0.29 -0.55 -0.11 0.08 -0.05 0.00 0.00 175.22 174.87 2vvj s VAL 24 N -2.77 1.00 -0.05 -2.49 1.01 -0.66 -1.32 120.40 115.11 2vvj s VAL 24 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2vvj s VAL 24 Cb -0.00 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2vvj s VAL 24 CO -0.05 0.30 -0.05 -0.63 0.00 0.00 0.00 175.10 174.68 2vvj s ILE 25 N 0.24 0.58 -0.01 2.22 1.01 0.28 -0.41 121.20 125.11 2vvj s ILE 25 Ca -0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 2vvj s ILE 25 Cb -0.11 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 2vvj s ILE 25 CO 0.01 0.24 0.10 -1.81 0.00 0.00 0.00 174.94 173.48 2vvj s ASP 26 N 1.00 5.79 0.01 3.58 1.01 -0.10 -0.44 116.67 127.52 2vvj s ASP 26 Ca -0.10 0.18 0.03 0.00 0.71 0.00 0.00 52.55 53.37 2vvj s ASP 26 Cb -0.14 -1.69 -0.01 0.00 1.01 0.00 0.00 42.92 42.08 2vvj s ASP 26 CO -0.00 0.28 -0.09 -0.83 0.21 0.00 0.00 175.17 174.73 2vvj s GLY 27 N -1.73 0.49 -0.06 0.21 0.00 -0.13 -0.58 107.32 105.52 2vvj s GLY 27 Ca 0.23 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2vvj s GLY 27 CO 0.14 -0.49 0.01 -0.35 0.00 0.00 0.00 173.10 172.41 2vvj s ASP 28 N -0.65 1.38 0.25 1.64 -1.08 -0.71 -1.49 116.67 116.01 2vvj s ASP 28 Ca 0.00 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 51.97 2vvj s ASP 28 Cb -0.05 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 41.03 2vvj s ASP 28 CO 0.00 -0.19 0.33 0.61 0.52 0.00 0.00 175.17 176.45 2vvj n GLY 29 N 5.02 2.49 3.06 2.66 0.00 0.32 -0.96 105.19 117.77 2vvj n GLY 29 Ca -0.09 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 2vvj n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vvj s THR 30 N -2.73 0.20 0.24 2.61 -4.23 -0.63 -0.54 115.64 110.57 2vvj s THR 30 Ca 0.21 -1.54 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 2vvj s THR 30 Cb -0.00 -1.14 0.02 0.00 1.34 0.00 0.00 72.50 72.71 2vvj s THR 30 CO 0.15 -0.84 0.59 -0.83 -0.54 0.00 0.00 174.62 173.15 2vvj s GLY 31 N -2.48 0.07 -0.44 3.99 0.00 -0.17 -1.38 107.32 106.91 2vvj s GLY 31 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.34 2vvj s GLY 31 CO -0.07 -0.28 0.18 0.54 0.00 0.00 0.00 173.10 173.46 2vvj s LYS 32 N -3.93 1.70 0.27 2.90 1.02 0.79 -1.65 119.74 120.84 2vvj s LYS 32 Ca 0.13 -2.26 0.00 0.00 0.02 0.00 0.00 55.97 53.87 2vvj s LYS 32 Cb -0.03 -3.16 0.58 0.00 -0.52 0.00 0.00 37.83 34.70 2vvj s LYS 32 CO 0.04 -1.05 1.75 -1.35 -0.92 0.00 0.00 175.35 173.82 2vvj h PRO 33 N 6.97 0.56 0.00 -1.68 0.11 -1.80 -0.69 132.00 135.47 2vvj h PRO 33 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2vvj h PRO 33 Cb 0.94 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2vvj h PRO 33 CO 0.61 0.37 0.00 1.19 -0.21 0.00 0.00 178.00 179.96 2vvj n PHE 34 N -4.90 0.39 0.79 0.65 3.01 -1.26 -2.45 117.46 113.67 2vvj n PHE 34 Ca 0.18 0.12 0.08 0.00 1.01 0.00 0.00 57.45 58.84 2vvj n PHE 34 Cb 0.48 -0.70 -0.07 0.00 -0.01 0.00 0.00 39.48 39.18 2vvj n PHE 34 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2vvj n GLU 35 N -1.82 1.50 -2.96 -1.08 1.02 -0.52 -4.57 120.64 112.19 2vvj n GLU 35 Ca 0.05 -0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 56.83 2vvj n GLU 35 Cb 0.33 -1.30 0.04 0.00 -0.02 0.00 0.00 31.44 30.49 2vvj n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvj n GLY 36 N 1.35 -0.13 3.13 0.62 0.00 -0.38 -4.43 105.19 105.36 2vvj n GLY 36 Ca 0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 2vvj n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvj s LYS 37 N -5.55 1.35 0.02 1.61 1.02 -1.13 -0.63 119.74 116.43 2vvj s LYS 37 Ca 0.28 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.55 2vvj s LYS 37 Cb -0.13 -1.28 0.03 0.00 -0.52 0.00 0.00 37.83 35.93 2vvj s LYS 37 CO 0.35 0.32 0.35 1.14 -0.92 0.00 0.00 175.35 176.59 2vvj s GLN 38 N -0.30 0.81 0.04 1.68 -2.07 -0.59 -0.15 119.66 119.07 2vvj s GLN 38 Ca 0.05 -0.35 -0.04 0.00 -1.82 0.00 0.00 55.36 53.19 2vvj s GLN 38 Cb -0.07 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.19 2vvj s GLN 38 CO -0.00 -0.26 0.05 -1.54 -1.32 0.00 0.00 175.29 172.23 2vvj s SER 39 N -1.81 0.24 -0.12 12.60 1.04 -0.48 -0.93 113.70 124.25 2vvj s SER 39 Ca -0.08 -0.62 -0.11 0.00 0.48 0.00 0.00 55.95 55.63 2vvj s SER 39 Cb -0.02 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.33 2vvj s SER 39 CO -0.00 -0.50 0.31 -0.32 0.98 0.00 0.00 173.24 173.71 2vvj s MET 40 N -2.69 0.37 -0.22 4.02 0.00 0.08 -1.61 119.30 119.26 2vvj s MET 40 Ca -0.04 0.42 -0.16 0.00 0.00 0.00 0.00 55.69 55.91 2vvj s MET 40 Cb -0.01 0.18 -0.04 0.00 0.00 0.00 0.00 34.83 34.97 2vvj s MET 40 CO -0.05 -0.05 0.42 -0.51 0.00 0.00 0.00 175.02 174.83 2vvj s ASP 41 N 0.14 6.42 -0.01 1.11 1.01 -0.13 -0.68 116.67 124.53 2vvj s ASP 41 Ca -0.00 0.49 0.03 0.00 0.71 0.00 0.00 52.55 53.78 2vvj s ASP 41 Cb -0.02 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 2vvj s ASP 41 CO 0.00 -0.12 -0.07 -0.76 0.21 0.00 0.00 175.17 174.43 2vvj s LEU 42 N 1.55 3.14 -0.05 1.23 1.43 0.19 -1.74 118.68 124.44 2vvj s LEU 42 Ca 0.19 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2vvj s LEU 42 Cb -0.15 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2vvj s LEU 42 CO 0.08 0.30 0.03 -0.70 0.23 0.00 0.00 176.35 176.30 2vvj s GLU 43 N -1.28 0.17 -0.21 1.70 2.12 0.26 -1.60 118.70 119.85 2vvj s GLU 43 Ca 0.16 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 2vvj s GLU 43 Cb -0.11 -0.61 -0.02 0.00 0.26 0.00 0.00 34.13 33.66 2vvj s GLU 43 CO 0.06 -0.28 1.39 0.08 -0.54 0.00 0.00 175.26 175.97 2vvj s VAL 44 N 1.84 4.05 -0.15 3.70 1.01 0.06 -0.92 120.40 129.98 2vvj s VAL 44 Ca 0.01 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.31 2vvj s VAL 44 Cb -0.12 -3.94 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 2vvj s VAL 44 CO -0.03 -0.28 0.23 0.29 0.00 0.00 0.00 175.10 175.31 2vvj n LYS 45 N 7.12 0.68 -4.15 2.72 4.76 0.46 -4.83 118.16 124.91 2vvj n LYS 45 Ca 0.15 0.15 -0.15 0.00 -2.87 0.00 0.00 58.31 55.59 2vvj n LYS 45 Cb 0.45 -1.63 -0.14 0.00 -1.84 0.00 0.00 35.03 31.88 2vvj n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2vvj s GLU 46 N -2.54 0.45 0.00 1.97 2.02 -1.07 -4.88 118.70 114.65 2vvj s GLU 46 Ca -0.15 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2vvj s GLU 46 Cb 0.07 -0.40 0.00 0.00 0.10 0.00 0.00 34.13 33.90 2vvj s GLU 46 CO 0.78 0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.57 2vvj n GLY 47 N 2.71 0.75 3.79 -1.39 0.00 -1.26 -1.65 105.19 108.14 2vvj n GLY 47 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2vvj n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvj s GLY 48 N -1.83 2.75 0.20 -0.02 0.00 -1.26 -3.44 107.32 103.72 2vvj s GLY 48 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.91 2vvj s GLY 48 CO 0.00 0.91 0.98 2.56 0.00 0.00 0.00 173.10 177.55 2vvj s PRO 49 N -2.16 4.76 0.27 2.90 0.04 -1.26 -5.11 135.00 134.44 2vvj s PRO 49 Ca 0.51 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 2vvj s PRO 49 Cb -0.17 -3.30 -0.11 0.00 0.04 0.00 0.00 34.50 30.96 2vvj s PRO 49 CO 0.22 0.36 1.56 -0.51 0.04 0.00 0.00 177.00 178.67 2vvj s LEU 50 N -0.81 4.36 0.00 -3.56 1.43 -1.22 -4.91 118.68 113.97 2vvj s LEU 50 Ca 0.44 2.85 0.30 0.00 -1.03 0.00 0.00 54.13 56.68 2vvj s LEU 50 Cb -0.26 -3.63 1.46 0.00 0.03 0.00 0.00 46.19 43.79 2vvj s LEU 50 CO 0.33 -0.85 1.97 -0.81 0.23 0.00 0.00 176.35 177.22 2vvj n PRO 51 N 2.43 1.33 -4.46 1.29 -0.04 -1.26 -4.88 135.00 129.40 2vvj n PRO 51 Ca 0.09 -0.48 -0.23 0.00 -0.04 0.00 0.00 63.50 62.83 2vvj n PRO 51 Cb 0.38 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2vvj n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vvj s PHE 52 N -1.99 2.14 0.11 0.54 -0.12 -1.26 -4.70 117.98 112.70 2vvj s PHE 52 Ca 0.42 -0.52 -0.32 0.00 -0.05 0.00 0.00 56.93 56.47 2vvj s PHE 52 Cb 0.21 -1.11 -0.11 0.00 -0.63 0.00 0.00 43.02 41.38 2vvj s PHE 52 CO 0.35 0.51 1.80 0.00 -0.05 0.00 0.00 175.22 177.82 2vvj n ALA 53 N -0.63 1.92 0.25 1.99 0.00 0.23 -4.88 120.51 119.40 2vvj n ALA 53 Ca -0.06 0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.80 2vvj n ALA 53 Cb 0.62 -2.54 0.62 0.00 0.00 0.00 0.00 19.45 18.15 2vvj n ALA 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2vvj h PHE 54 N 8.16 0.00 -0.82 0.00 3.57 -1.95 -3.03 116.94 122.88 2vvj h PHE 54 Ca -0.46 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.21 2vvj h PHE 54 Cb 1.23 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.92 2vvj h PHE 54 CO 0.77 0.11 0.55 -0.44 -2.23 0.00 0.00 178.31 177.06 2vvj h ASP 55 N 0.00 0.41 0.15 0.41 3.32 -1.96 -1.37 116.42 117.38 2vvj h ASP 55 Ca -0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2vvj h ASP 55 Cb 0.21 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2vvj h ASP 55 CO 0.01 0.19 -0.03 0.16 -1.72 0.00 0.00 179.24 177.86 2vvj h ILE 56 N 0.43 0.33 0.00 0.35 3.07 -1.93 -2.60 117.51 117.15 2vvj h ILE 56 Ca 0.41 -0.16 -0.08 0.00 1.55 0.00 0.00 64.86 66.59 2vvj h ILE 56 Cb 0.97 1.11 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 2vvj h ILE 56 CO -0.14 0.03 -0.96 -0.07 -1.05 0.00 0.00 178.15 175.95 2vvj h LEU 57 N 0.00 0.00 -1.10 0.16 3.38 -1.47 -3.42 115.31 112.86 2vvj h LEU 57 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2vvj h LEU 57 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2vvj h LEU 57 CO 0.00 0.30 0.33 0.71 0.09 0.00 0.00 178.44 179.87 2vvj h THR 58 N 0.00 1.22 0.00 0.22 1.35 -1.51 -0.46 112.91 113.72 2vvj h THR 58 Ca -0.06 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2vvj h THR 58 Cb 1.28 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2vvj h THR 58 CO 0.03 0.26 0.00 0.35 -0.25 0.00 0.00 175.52 175.90 2vvj n THR 59 N -4.34 0.72 -3.04 6.82 -2.24 -1.26 -5.10 114.28 105.84 2vvj n THR 59 Ca 0.06 0.14 -0.44 0.00 -2.27 0.00 0.00 64.05 61.54 2vvj n THR 59 Cb 0.13 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.45 2vvj n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vvj s ALA 60 N -3.10 3.99 -0.30 6.98 0.00 -0.19 -5.14 121.76 124.01 2vvj s ALA 60 Ca 0.08 -3.31 -0.07 0.00 0.00 0.00 0.00 51.96 48.66 2vvj s ALA 60 Cb 0.11 -3.97 0.19 0.00 0.00 0.00 0.00 23.12 19.45 2vvj s ALA 60 CO 0.39 -2.68 0.89 1.21 0.00 0.00 0.00 175.76 175.57 2vvj s ASN 65 N 2.70 -0.81 0.00 0.00 3.84 -1.26 -4.97 114.94 114.44 2vvj s ASN 65 Ca 0.37 0.28 0.20 0.00 0.21 0.00 0.00 52.86 53.92 2vvj s ASN 65 Cb -0.05 1.59 1.19 0.00 -0.55 0.00 0.00 41.25 43.43 2vvj s ASN 65 CO -0.04 -0.15 1.60 -1.14 -2.79 0.00 0.00 177.10 174.58 2vvj n ARG 66 N 5.34 0.71 0.25 0.43 3.00 -1.26 -1.87 116.66 123.26 2vvj n ARG 66 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.96 2vvj n ARG 66 Cb 0.55 -1.44 0.63 0.00 0.00 0.00 0.00 32.46 32.20 2vvj n ARG 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2vvj h VAL 67 N 0.00 0.80 -1.89 5.15 3.04 -1.96 -3.26 116.25 118.13 2vvj h VAL 67 Ca 0.00 -0.60 -0.76 0.00 -1.01 0.00 0.00 66.70 64.34 2vvj h VAL 67 Cb 0.00 1.35 -0.18 0.00 -2.01 0.00 0.00 31.29 30.46 2vvj h VAL 67 CO 0.00 0.15 1.62 0.49 -1.01 0.00 0.00 177.57 178.82 2vvj n PHE 68 N -3.90 3.72 -3.71 3.17 3.01 -0.78 -4.68 117.46 114.28 2vvj n PHE 68 Ca -0.02 -3.03 -0.12 0.00 1.01 0.00 0.00 57.45 55.29 2vvj n PHE 68 Cb 0.25 -1.97 -0.11 0.00 -0.01 0.00 0.00 39.48 37.64 2vvj n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vvj s ALA 69 N 0.46 -1.02 -0.55 4.37 0.00 -1.22 -4.28 121.76 119.53 2vvj s ALA 69 Ca 0.40 1.35 -0.28 0.00 0.00 0.00 0.00 51.96 53.43 2vvj s ALA 69 Cb 0.04 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2vvj s ALA 69 CO 0.01 -0.23 1.25 -2.00 0.00 0.00 0.00 175.76 174.78 2vvj s GLU 70 N 0.90 3.51 -0.19 0.00 2.12 -0.42 -4.44 118.70 120.18 2vvj s GLU 70 Ca -0.06 0.40 -0.12 0.00 0.36 0.00 0.00 54.97 55.56 2vvj s GLU 70 Cb -0.06 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.26 2vvj s GLU 70 CO -0.07 -1.68 0.22 0.71 -0.54 0.00 0.00 175.26 173.90 2vvj s TYR 71 N 5.14 3.41 0.76 5.30 1.51 -1.26 -1.39 117.35 130.83 2vvj s TYR 71 Ca 0.47 0.44 -0.12 0.00 -1.01 0.00 0.00 57.07 56.86 2vvj s TYR 71 Cb -0.09 -2.28 0.05 0.00 -0.11 0.00 0.00 41.96 39.54 2vvj s TYR 71 CO 0.27 0.21 1.11 -1.25 -1.11 0.00 0.00 175.55 174.78 2vvj s PRO 72 N 0.57 2.37 0.47 -1.71 0.04 -1.26 -4.97 135.00 130.52 2vvj s PRO 72 Ca 0.12 0.50 0.12 0.00 0.04 0.00 0.00 61.00 61.79 2vvj s PRO 72 Cb -0.12 -1.96 1.09 0.00 0.04 0.00 0.00 34.50 33.55 2vvj s PRO 72 CO 0.02 -1.39 2.11 -0.44 0.04 0.00 0.00 177.00 177.34 2vvj h ASP 73 N -0.91 0.19 -0.01 6.66 3.32 -1.99 -2.83 116.42 120.85 2vvj h ASP 73 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2vvj h ASP 73 Cb 1.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2vvj h ASP 73 CO 0.62 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.28 2vvj n HIS 74 N -4.51 0.01 -4.68 4.55 1.44 -1.26 -4.71 115.22 106.06 2vvj n HIS 74 Ca -0.01 -0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.41 2vvj n HIS 74 Cb 0.08 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.03 2vvj n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2vvj s ILE 75 N -1.99 1.59 0.19 0.61 1.01 -1.07 -5.06 121.20 116.48 2vvj s ILE 75 Ca 0.42 -0.72 -0.32 0.00 0.00 0.00 0.00 60.65 60.04 2vvj s ILE 75 Cb 0.20 -1.42 -0.11 0.00 0.01 0.00 0.00 42.46 41.13 2vvj s ILE 75 CO 0.33 0.46 1.70 -1.58 0.00 0.00 0.00 174.94 175.85 2vvj s GLN 76 N 0.75 4.15 -0.84 2.79 2.00 -1.26 -4.70 119.66 122.55 2vvj s GLN 76 Ca -0.11 2.55 -0.15 0.00 -2.00 0.00 0.00 55.36 55.64 2vvj s GLN 76 Cb -0.16 -3.14 0.19 0.00 0.80 0.00 0.00 33.01 30.70 2vvj s GLN 76 CO 0.02 -0.73 0.85 0.34 -0.50 0.00 0.00 175.29 175.27 2vvj s ASP 77 N 1.32 6.69 0.44 6.67 -1.08 -1.26 -4.69 116.67 124.76 2vvj s ASP 77 Ca 0.74 -2.46 0.11 0.00 -0.52 0.00 0.00 52.55 50.42 2vvj s ASP 77 Cb -0.48 -2.26 0.97 0.00 -1.46 0.00 0.00 42.92 39.69 2vvj s ASP 77 CO 0.32 -0.72 2.04 0.22 0.52 0.00 0.00 175.17 177.55 2vvj h TYR 78 N 8.13 0.26 0.14 -5.34 3.20 -1.92 -2.76 116.97 118.67 2vvj h TYR 78 Ca 0.09 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.75 2vvj h TYR 78 Cb 1.04 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 39.24 2vvj h TYR 78 CO 1.05 0.24 -0.94 0.74 -1.64 0.00 0.00 178.16 177.61 2vvj h PHE 79 N 0.27 0.52 0.00 -3.82 -1.00 -1.90 -2.55 116.94 108.46 2vvj h PHE 79 Ca 0.07 -0.38 -0.06 0.00 2.81 0.00 0.00 57.97 60.40 2vvj h PHE 79 Cb 0.10 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2vvj h PHE 79 CO 0.00 1.36 -0.30 0.87 -1.61 0.00 0.00 178.31 178.64 2vvj h LYS 80 N -0.36 0.00 0.00 1.51 1.57 -1.88 -2.32 116.57 115.08 2vvj h LYS 80 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2vvj h LYS 80 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.98 2vvj h LYS 80 CO 0.13 0.30 0.00 1.04 -0.57 0.00 0.00 179.45 180.35 2vvj n GLN 81 N -4.15 0.05 0.00 3.15 1.13 -1.04 -3.32 117.38 113.19 2vvj n GLN 81 Ca -0.02 0.14 0.14 0.00 -1.94 0.00 0.00 57.00 55.32 2vvj n GLN 81 Cb 0.35 -1.57 0.59 0.00 0.11 0.00 0.00 30.24 29.72 2vvj n GLN 81 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2vvj n SER 82 N -1.67 0.28 -4.72 1.08 7.64 -0.87 -4.87 113.62 110.49 2vvj n SER 82 Ca 0.05 -0.21 -0.26 0.00 1.01 0.00 0.00 58.87 59.46 2vvj n SER 82 Cb 0.29 -0.17 -0.07 0.00 -1.01 0.00 0.00 64.21 63.26 2vvj n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2vvj s PHE 83 N -2.68 2.98 -0.21 1.43 0.40 -1.21 0.72 117.98 119.41 2vvj s PHE 83 Ca 0.23 -0.09 0.29 0.00 -0.60 0.00 0.00 56.93 56.76 2vvj s PHE 83 Cb 0.20 -1.43 1.01 0.00 0.51 0.00 0.00 43.02 43.30 2vvj s PHE 83 CO 0.51 0.52 1.83 -1.00 0.70 0.00 0.00 175.22 177.78 2vvj h PRO 84 N 2.56 0.00 -0.55 0.24 0.13 -1.89 -3.46 132.00 129.03 2vvj h PRO 84 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2vvj h PRO 84 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2vvj h PRO 84 CO 0.60 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.25 2vvj h LYS 85 N 0.00 0.97 0.00 0.86 1.57 -1.92 -3.36 116.57 114.68 2vvj h LYS 85 Ca 0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2vvj h LYS 85 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2vvj h LYS 85 CO 0.00 0.97 0.00 0.41 -0.57 0.00 0.00 179.45 180.26 2vvj n GLY 86 N -0.41 -0.70 3.68 3.86 0.00 0.22 -4.67 105.19 107.18 2vvj n GLY 86 Ca 0.02 -2.20 -0.08 0.00 0.00 0.00 0.00 46.02 43.76 2vvj n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2vvj s TYR 87 N -0.04 -0.09 0.12 1.61 1.13 -0.91 -1.18 117.35 117.98 2vvj s TYR 87 Ca 0.00 -0.30 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 2vvj s TYR 87 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2vvj s TYR 87 CO 0.00 -1.08 -0.15 -1.12 -2.51 0.00 0.00 175.55 170.70 2vvj s SER 88 N -2.91 2.03 0.07 -0.18 0.01 -0.51 -0.84 113.70 111.37 2vvj s SER 88 Ca 0.12 -0.79 0.04 0.00 1.31 0.00 0.00 55.95 56.63 2vvj s SER 88 Cb -0.03 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2vvj s SER 88 CO 0.03 -0.13 -0.11 -1.66 0.41 0.00 0.00 173.24 171.78 2vvj s TRP 89 N -2.02 1.04 0.05 2.43 1.48 -0.43 -1.12 118.94 120.37 2vvj s TRP 89 Ca 0.08 -0.53 0.07 0.00 -1.06 0.00 0.00 56.10 54.66 2vvj s TRP 89 Cb -0.06 -0.58 -0.03 0.00 -1.16 0.00 0.00 33.47 31.64 2vvj s TRP 89 CO 0.03 0.01 -0.21 -1.21 -4.06 0.00 0.00 176.95 171.51 2vvj s GLU 90 N -2.07 1.38 -0.03 3.25 2.02 -0.80 -1.39 118.70 121.06 2vvj s GLU 90 Ca -0.01 -0.97 -0.05 0.00 0.02 0.00 0.00 54.97 53.97 2vvj s GLU 90 Cb -0.08 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.65 2vvj s GLU 90 CO 0.01 0.38 0.12 0.50 0.02 0.00 0.00 175.26 176.29 2vvj s ARG 91 N -1.24 0.23 -0.06 1.61 3.52 0.72 -1.11 118.95 122.61 2vvj s ARG 91 Ca 0.07 0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.73 2vvj s ARG 91 Cb -0.09 0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 2vvj s ARG 91 CO 0.02 -0.04 -0.19 -1.54 -0.81 0.00 0.00 175.30 172.74 2vvj s SER 92 N -0.33 3.60 -0.24 -2.12 1.04 -0.50 -0.54 113.70 114.62 2vvj s SER 92 Ca -0.04 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2vvj s SER 92 Cb -0.03 -0.87 0.04 0.00 0.10 0.00 0.00 66.02 65.26 2vvj s SER 92 CO 0.00 0.29 -0.12 -0.76 0.98 0.00 0.00 173.24 173.64 2vvj s LEU 93 N -0.40 3.02 -0.37 2.42 1.43 0.10 -2.02 118.68 122.86 2vvj s LEU 93 Ca 0.04 -1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.06 2vvj s LEU 93 Cb -0.12 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.60 2vvj s LEU 93 CO 0.02 -0.12 0.15 -0.89 0.23 0.00 0.00 176.35 175.74 2vvj s THR 94 N 1.23 3.64 0.38 5.49 2.01 0.06 -0.70 115.64 127.75 2vvj s THR 94 Ca -0.02 -1.45 -0.13 0.00 0.31 0.00 0.00 61.69 60.40 2vvj s THR 94 Cb -0.17 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 2vvj s THR 94 CO -0.07 -0.37 0.77 -0.36 -0.69 0.00 0.00 174.62 173.91 2vvj s PHE 95 N 1.32 3.43 -0.07 4.92 0.40 -0.07 -0.93 117.98 126.98 2vvj s PHE 95 Ca 0.01 1.14 0.30 0.00 -0.60 0.00 0.00 56.93 57.79 2vvj s PHE 95 Cb -0.21 -2.50 1.33 0.00 0.51 0.00 0.00 43.02 42.14 2vvj s PHE 95 CO 0.00 -0.04 1.90 1.05 0.70 0.00 0.00 175.22 178.83 2vvj h GLU 96 N 1.63 0.00 -0.69 0.44 4.11 -1.53 -2.41 114.58 116.13 2vvj h GLU 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2vvj h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2vvj h GLU 96 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2vvj n ASP 97 N -2.71 4.42 0.00 3.06 5.75 -1.26 -4.95 116.55 120.86 2vvj n ASP 97 Ca 0.01 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.54 2vvj n ASP 97 Cb 0.23 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2vvj n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vvj n GLY 98 N 1.35 1.29 3.73 6.12 0.00 -0.91 -4.78 105.19 111.99 2vvj n GLY 98 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2vvj n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vvj n GLY 99 N -1.77 1.49 2.95 -0.02 0.00 -1.20 -4.75 105.19 101.89 2vvj n GLY 99 Ca 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 2vvj n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vvj s ILE 100 N 0.84 0.68 0.00 -0.61 1.01 -0.68 -0.89 121.20 121.55 2vvj s ILE 100 Ca 0.72 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 61.18 2vvj s ILE 100 Cb -0.50 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 2vvj s ILE 100 CO 0.37 0.24 -0.22 0.00 0.00 0.00 0.00 174.94 175.32 2vvj s ILE 102 N -0.60 2.22 0.03 0.00 -5.25 0.81 0.02 121.20 118.42 2vvj s ILE 102 Ca 0.08 -1.63 -0.08 0.00 -0.99 0.00 0.00 60.65 58.03 2vvj s ILE 102 Cb -0.09 -1.94 0.00 0.00 2.95 0.00 0.00 42.46 43.39 2vvj s ILE 102 CO 0.00 0.19 0.17 0.00 -1.79 0.00 0.00 174.94 173.51 2vvj s ALA 103 N -0.97 -0.30 0.02 2.27 0.00 0.29 -0.86 121.76 122.21 2vvj s ALA 103 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2vvj s ALA 103 Cb -0.10 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2vvj s ALA 103 CO 0.05 -0.32 -0.03 1.03 0.00 0.00 0.00 175.76 176.48 2vvj s ARG 104 N -2.35 0.27 -0.03 0.00 0.52 -0.42 -0.20 118.95 116.74 2vvj s ARG 104 Ca -0.07 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2vvj s ARG 104 Cb -0.02 -0.05 0.03 0.00 0.52 0.00 0.00 34.95 35.43 2vvj s ARG 104 CO -0.03 -0.00 0.00 1.21 0.02 0.00 0.00 175.30 176.50 2vvj s ASN 105 N -0.91 0.46 -0.31 0.23 2.47 -0.49 -1.19 114.94 115.21 2vvj s ASN 105 Ca -0.08 -0.02 -0.09 0.00 0.42 0.00 0.00 52.86 53.09 2vvj s ASN 105 Cb -0.06 -0.22 -0.00 0.00 -1.45 0.00 0.00 41.25 39.52 2vvj s ASN 105 CO -0.00 -0.11 0.13 -1.81 -3.72 0.00 0.00 177.10 171.59 2vvj s ASP 106 N 1.09 5.44 -0.21 -4.21 1.01 -0.30 -1.31 116.67 118.18 2vvj s ASP 106 Ca -0.09 -0.56 -0.04 0.00 0.71 0.00 0.00 52.55 52.57 2vvj s ASP 106 Cb -0.13 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 2vvj s ASP 106 CO -0.02 -0.19 -0.02 -0.63 0.21 0.00 0.00 175.17 174.52 2vvj s ILE 107 N 1.59 3.65 0.37 0.77 1.01 -0.02 -1.56 121.20 127.01 2vvj s ILE 107 Ca 0.04 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2vvj s ILE 107 Cb -0.17 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2vvj s ILE 107 CO 0.05 0.43 0.06 0.42 0.00 0.00 0.00 174.94 175.90 2vvj s THR 108 N 1.20 1.16 -0.05 2.92 -4.23 -0.48 -2.15 115.64 114.01 2vvj s THR 108 Ca 0.03 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 2vvj s THR 108 Cb -0.14 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.06 2vvj s THR 108 CO 0.00 0.00 0.13 -0.32 -0.54 0.00 0.00 174.62 173.89 2vvj s MET 109 N -3.83 0.13 -0.06 3.99 1.75 -1.26 -0.32 119.30 119.72 2vvj s MET 109 Ca 0.30 0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.94 2vvj s MET 109 Cb 0.07 0.01 0.03 0.00 2.84 0.00 0.00 34.83 37.79 2vvj s MET 109 CO 0.14 -0.05 0.08 -2.00 -0.65 0.00 0.00 175.02 172.54 2vvj s GLU 110 N 0.32 -0.05 7.97 4.11 2.56 -0.64 -4.95 118.70 128.02 2vvj s GLU 110 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 54.97 55.33 2vvj s GLU 110 Cb -0.03 -0.56 0.00 0.00 2.00 0.00 0.00 34.13 35.54 2vvj s GLU 110 CO -0.01 -0.35 0.00 0.41 -0.56 0.00 0.00 175.26 174.75 2vvj n GLY 111 N 5.30 3.90 1.53 -1.50 0.00 -1.26 -2.10 105.19 111.06 2vvj n GLY 111 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.08 2vvj n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vvj n ASP 112 N 8.73 4.80 -4.19 1.61 5.75 -1.26 -4.95 116.55 127.04 2vvj n ASP 112 Ca 0.00 -2.60 -0.32 0.00 -0.01 0.00 0.00 54.79 51.87 2vvj n ASP 112 Cb 0.00 -0.58 -0.17 0.00 -1.03 0.00 0.00 41.12 39.34 2vvj n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2vvj s THR 113 N -2.12 1.99 0.07 2.12 2.01 -0.89 0.32 115.64 119.12 2vvj s THR 113 Ca 0.50 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 61.32 2vvj s THR 113 Cb 0.34 -1.73 -0.07 0.00 0.01 0.00 0.00 72.50 71.06 2vvj s THR 113 CO 0.20 0.54 0.61 -0.36 -0.69 0.00 0.00 174.62 174.93 2vvj s PHE 114 N 0.46 3.79 -0.10 4.92 0.08 0.12 -1.62 117.98 125.62 2vvj s PHE 114 Ca -0.16 1.31 0.01 0.00 0.12 0.00 0.00 56.93 58.21 2vvj s PHE 114 Cb -0.17 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 2vvj s PHE 114 CO 0.07 0.52 -0.12 0.71 -0.10 0.00 0.00 175.22 176.29 2vvj s TYR 115 N -0.88 2.80 -0.19 0.36 1.51 0.57 -0.19 117.35 121.34 2vvj s TYR 115 Ca 0.31 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2vvj s TYR 115 Cb -0.20 -1.78 0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2vvj s TYR 115 CO 0.20 -0.05 -0.15 -0.80 -1.11 0.00 0.00 175.55 173.63 2vvj s ASN 116 N -0.03 3.30 -0.46 2.29 0.01 -0.31 -1.38 114.94 118.36 2vvj s ASN 116 Ca -0.03 -0.78 -0.15 0.00 -0.71 0.00 0.00 52.86 51.20 2vvj s ASN 116 Cb -0.14 -1.38 0.07 0.00 0.41 0.00 0.00 41.25 40.21 2vvj s ASN 116 CO 0.04 -0.07 0.36 -0.75 -1.51 0.00 0.00 177.10 175.17 2vvj s LYS 117 N 1.32 2.93 -0.08 -0.60 2.20 -0.60 -1.83 119.74 123.08 2vvj s LYS 117 Ca 0.02 -1.32 0.02 0.00 -0.36 0.00 0.00 55.97 54.33 2vvj s LYS 117 Cb -0.15 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.09 2vvj s LYS 117 CO -0.10 -0.98 -0.14 0.08 -0.36 0.00 0.00 175.35 173.85 2vvj s VAL 118 N 1.62 3.04 -0.02 4.02 1.01 -0.49 -1.15 120.40 128.43 2vvj s VAL 118 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2vvj s VAL 118 Cb -0.23 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 2vvj s VAL 118 CO 0.06 0.57 -0.19 -0.13 0.00 0.00 0.00 175.10 175.42 2vvj s ARG 119 N -0.34 1.61 -0.04 2.72 1.81 -0.33 -1.38 118.95 122.99 2vvj s ARG 119 Ca 0.03 -0.66 -0.02 0.00 -1.72 0.00 0.00 55.73 53.36 2vvj s ARG 119 Cb -0.13 -1.51 0.03 0.00 -0.45 0.00 0.00 34.95 32.89 2vvj s ARG 119 CO 0.02 0.37 0.07 0.12 -0.68 0.00 0.00 175.30 175.20 2vvj s PHE 120 N -0.32 0.05 -0.06 -0.53 2.19 -0.82 -1.30 117.98 117.19 2vvj s PHE 120 Ca 0.04 0.28 0.02 0.00 0.33 0.00 0.00 56.93 57.59 2vvj s PHE 120 Cb -0.08 -0.47 0.02 0.00 -1.31 0.00 0.00 43.02 41.17 2vvj s PHE 120 CO 0.00 -0.20 -0.10 -1.01 1.83 0.00 0.00 175.22 175.75 2vvj s HIS 121 N 2.18 1.26 -0.00 10.12 3.76 -0.04 -1.19 115.29 131.39 2vvj s HIS 121 Ca 0.05 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 2vvj s HIS 121 Cb -0.12 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 2vvj s HIS 121 CO -0.03 -0.28 -0.10 0.20 -0.85 0.00 0.00 174.74 173.68 2vvj s GLY 122 N 0.83 0.49 0.16 -2.22 0.00 -0.20 -0.13 107.32 106.26 2vvj s GLY 122 Ca -0.12 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.16 2vvj s GLY 122 CO 0.02 -0.40 -0.00 -1.34 0.00 0.00 0.00 173.10 171.38 2vvj s VAL 123 N -0.32 0.62 -1.39 1.40 -7.23 -0.08 -1.13 120.40 112.27 2vvj s VAL 123 Ca 0.03 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 2vvj s VAL 123 Cb -0.04 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.85 2vvj s VAL 123 CO -0.00 -0.53 0.00 0.59 -0.31 0.00 0.00 175.10 174.84 2vvj n ASN 124 N -0.20 -4.60 -4.68 4.85 3.02 -1.26 -1.68 115.26 110.72 2vvj n ASN 124 Ca -0.07 0.16 -0.43 0.00 -0.03 0.00 0.00 54.58 54.21 2vvj n ASN 124 Cb 0.63 -3.58 -0.02 0.00 -0.61 0.00 0.00 39.78 36.20 2vvj n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2vvj s PHE 125 N -2.64 3.42 0.43 3.10 0.08 -1.26 -3.25 117.98 117.86 2vvj s PHE 125 Ca 0.00 1.52 -0.24 0.00 0.12 0.00 0.00 56.93 58.34 2vvj s PHE 125 Cb 0.00 -3.23 -0.08 0.00 -0.57 0.00 0.00 43.02 39.13 2vvj s PHE 125 CO 0.00 -0.39 1.13 -1.25 -0.10 0.00 0.00 175.22 174.61 2vvj s PRO 126 N 2.53 3.93 0.51 0.24 0.04 -1.26 -4.93 135.00 136.05 2vvj s PRO 126 Ca 0.47 1.69 0.16 0.00 0.04 0.00 0.00 61.00 63.36 2vvj s PRO 126 Cb -0.17 -2.48 1.26 0.00 0.04 0.00 0.00 34.50 33.14 2vvj s PRO 126 CO 0.13 -0.39 2.13 0.00 0.04 0.00 0.00 177.00 178.92 2vvj h ALA 127 N 2.26 1.94 -0.02 8.56 0.00 -1.97 -1.92 119.26 128.11 2vvj h ALA 127 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2vvj h ALA 127 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2vvj h ALA 127 CO 0.61 0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.16 2vvj n ASN 128 N -4.48 1.87 -4.89 0.00 6.94 -1.26 -4.29 115.26 109.15 2vvj n ASN 128 Ca -0.03 -1.62 -0.29 0.00 -0.02 0.00 0.00 54.58 52.61 2vvj n ASN 128 Cb 0.11 -0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.59 2vvj n ASN 128 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2vvj s GLY 129 N -2.00 1.62 0.53 4.83 0.00 -0.72 -4.86 107.32 106.72 2vvj s GLY 129 Ca 0.36 -0.50 0.35 0.00 0.00 0.00 0.00 44.72 44.92 2vvj s GLY 129 CO 0.33 -0.10 2.04 -0.56 0.00 0.00 0.00 173.10 174.81 2vvj h PRO 130 N -0.76 0.00 0.02 2.90 0.13 -1.93 -1.38 132.00 130.99 2vvj h PRO 130 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2vvj h PRO 130 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2vvj h PRO 130 CO 0.64 0.00 -0.01 0.28 -0.23 0.00 0.00 178.00 178.68 2vvj h VAL 131 N 0.00 1.42 0.00 1.56 2.07 -1.93 0.47 116.25 119.84 2vvj h VAL 131 Ca 0.00 -1.84 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 2vvj h VAL 131 Cb 0.33 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2vvj h VAL 131 CO 0.00 0.44 -0.22 0.24 0.02 0.00 0.00 177.57 178.05 2vvj h MET 132 N -0.89 0.00 -0.00 1.57 2.86 -1.75 0.73 114.93 117.45 2vvj h MET 132 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2vvj h MET 132 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2vvj h MET 132 CO 0.01 0.22 -0.28 1.04 1.06 0.00 0.00 176.91 178.96 2vvj n GLN 133 N -3.25 0.21 -3.54 1.72 1.13 -0.53 -4.75 117.38 108.37 2vvj n GLN 133 Ca 0.01 -0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 54.77 2vvj n GLN 133 Cb 0.51 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.42 2vvj n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2vvj n LYS 134 N -1.31 -3.83 -0.38 -1.09 5.02 -0.87 -4.94 118.16 110.76 2vvj n LYS 134 Ca 0.08 0.69 0.08 0.00 -2.02 0.00 0.00 58.31 57.14 2vvj n LYS 134 Cb 0.33 -5.27 0.25 0.00 -0.02 0.00 0.00 35.03 30.32 2vvj n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vvj n LYS 135 N -3.96 3.13 -3.20 1.97 5.02 0.10 -5.00 118.16 116.21 2vvj n LYS 135 Ca -0.20 -2.54 -0.32 0.00 -2.02 0.00 0.00 58.31 53.23 2vvj n LYS 135 Cb 0.65 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 2vvj n LYS 135 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2vvj s THR 136 N -1.79 4.74 -0.12 -0.18 -4.23 -1.25 -0.67 115.64 112.14 2vvj s THR 136 Ca 0.37 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 2vvj s THR 136 Cb 0.25 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 2vvj s THR 136 CO 0.16 -0.15 -0.13 0.18 -0.54 0.00 0.00 174.62 174.15 2vvj n LEU 137 N -0.30 1.91 -3.58 4.79 4.77 0.14 -4.80 117.00 119.93 2vvj n LEU 137 Ca 0.03 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.00 2vvj n LEU 137 Cb 0.53 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2vvj n LEU 137 CO 0.42 0.47 0.90 -1.59 -1.33 0.00 0.00 177.39 176.26 2vvj s LYS 138 N -2.22 0.53 0.19 3.23 -2.85 -1.21 -4.99 119.74 112.43 2vvj s LYS 138 Ca -0.16 -0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 54.29 2vvj s LYS 138 Cb 0.05 0.23 -0.08 0.00 -2.06 0.00 0.00 37.83 35.97 2vvj s LYS 138 CO 0.23 -0.24 1.11 -1.58 0.10 0.00 0.00 175.35 174.98 2vvj s TRP 139 N -2.69 3.57 0.56 1.78 0.52 -1.26 -0.18 118.94 121.23 2vvj s TRP 139 Ca 0.09 1.58 -0.17 0.00 0.02 0.00 0.00 56.10 57.62 2vvj s TRP 139 Cb -0.00 -3.30 -0.05 0.00 -1.15 0.00 0.00 33.47 28.97 2vvj s TRP 139 CO -0.05 -0.69 1.05 -1.21 0.02 0.00 0.00 176.95 176.07 2vvj s GLU 140 N -0.46 3.46 0.48 4.98 0.41 -0.09 -4.75 118.70 122.75 2vvj s GLU 140 Ca 0.49 1.23 -0.23 0.00 -0.41 0.00 0.00 54.97 56.05 2vvj s GLU 140 Cb -0.30 -2.05 -0.08 0.00 -1.78 0.00 0.00 34.13 29.92 2vvj s GLU 140 CO 0.36 -0.69 1.27 -0.35 -0.49 0.00 0.00 175.26 175.35 2vvj n PRO 141 N -1.75 1.74 -4.31 0.39 -0.04 -1.26 -4.75 135.00 125.02 2vvj n PRO 141 Ca 0.09 0.63 -0.16 0.00 -0.04 0.00 0.00 63.50 64.01 2vvj n PRO 141 Cb 0.53 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.46 2vvj n PRO 141 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2vvj s SER 142 N -0.74 1.12 -0.14 3.54 1.04 -0.58 -4.97 113.70 112.97 2vvj s SER 142 Ca 0.66 -1.40 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 2vvj s SER 142 Cb -0.46 0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.89 2vvj s SER 142 CO 0.54 -0.75 -0.05 -0.89 0.98 0.00 0.00 173.24 173.06 2vvj s THR 143 N -3.78 0.97 -0.06 2.02 2.01 -1.26 -0.53 115.64 115.01 2vvj s THR 143 Ca 0.38 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.75 2vvj s THR 143 Cb 0.08 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2vvj s THR 143 CO 0.14 0.22 0.65 -0.70 -0.69 0.00 0.00 174.62 174.24 2vvj s GLU 144 N 1.71 4.40 -0.38 4.92 2.12 0.90 -4.53 118.70 127.86 2vvj s GLU 144 Ca 0.03 0.80 -0.16 0.00 0.36 0.00 0.00 54.97 55.99 2vvj s GLU 144 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.83 2vvj s GLU 144 CO -0.08 0.15 0.41 0.15 -0.54 0.00 0.00 175.26 175.35 2vvj s LYS 145 N 0.53 3.38 -0.22 4.30 3.01 0.09 -0.81 119.74 130.02 2vvj s LYS 145 Ca 0.35 -0.53 -0.09 0.00 -1.01 0.00 0.00 55.97 54.68 2vvj s LYS 145 Cb -0.18 -3.87 -0.05 0.00 -1.01 0.00 0.00 37.83 32.73 2vvj s LYS 145 CO 0.17 -0.67 0.12 -1.64 0.51 0.00 0.00 175.35 173.83 2vvj s MET 146 N 2.11 4.02 0.17 1.68 -1.94 0.28 -1.42 119.30 124.19 2vvj s MET 146 Ca 0.13 -0.31 -0.20 0.00 -1.71 0.00 0.00 55.69 53.60 2vvj s MET 146 Cb -0.17 -3.40 0.05 0.00 2.01 0.00 0.00 34.83 33.32 2vvj s MET 146 CO 0.13 0.14 0.53 1.52 -0.01 0.00 0.00 175.02 177.33 2vvj s TYR 147 N 0.78 -0.33 -0.11 -0.03 -0.85 -0.11 -1.89 117.35 114.82 2vvj s TYR 147 Ca 0.06 0.04 -0.15 0.00 -0.52 0.00 0.00 57.07 56.50 2vvj s TYR 147 Cb -0.13 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 2vvj s TYR 147 CO 0.02 -0.85 0.37 0.08 -1.52 0.00 0.00 175.55 173.65 2vvj s VAL 148 N -3.80 5.22 -0.03 -3.49 1.01 -1.26 0.40 120.40 118.45 2vvj s VAL 148 Ca 0.04 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 2vvj s VAL 148 Cb -0.01 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2vvj s VAL 148 CO -0.09 0.42 0.03 -0.60 0.00 0.00 0.00 175.10 174.86 2vvj s ARG 149 N 0.13 -0.00 -1.49 2.72 6.06 -0.36 -4.87 118.95 121.13 2vvj s ARG 149 Ca 0.21 0.22 -0.05 0.00 -2.50 0.00 0.00 55.73 53.61 2vvj s ARG 149 Cb -0.14 -0.34 0.04 0.00 0.06 0.00 0.00 34.95 34.56 2vvj s ARG 149 CO 0.08 -0.20 0.52 -3.47 -2.50 0.00 0.00 175.30 169.73 2vvj n ASP 150 N 4.45 -1.22 -0.04 -2.12 2.03 -1.26 -1.64 116.55 116.76 2vvj n ASP 150 Ca -0.22 -1.00 -0.01 0.00 0.52 0.00 0.00 54.79 54.09 2vvj n ASP 150 Cb 0.50 -3.00 -0.00 0.00 -0.72 0.00 0.00 41.12 37.90 2vvj n ASP 150 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vvj n GLY 151 N -1.85 0.34 3.12 0.27 0.00 -1.26 -5.01 105.19 100.80 2vvj n GLY 151 Ca -0.20 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 2vvj n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvj s VAL 152 N -1.64 1.45 0.09 1.61 1.01 -0.65 -5.09 120.40 117.18 2vvj s VAL 152 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 60.98 2vvj s VAL 152 Cb 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 2vvj s VAL 152 CO 0.00 0.42 1.60 -0.22 0.00 0.00 0.00 175.10 176.90 2vvj s LEU 153 N 0.28 4.36 -0.02 3.92 2.96 -1.24 -1.23 118.68 127.71 2vvj s LEU 153 Ca -0.10 2.47 0.04 0.00 -0.22 0.00 0.00 54.13 56.33 2vvj s LEU 153 Cb -0.14 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2vvj s LEU 153 CO 0.04 -0.84 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.19 2vvj s THR 154 N 2.18 1.17 -0.16 3.68 2.01 0.16 -0.58 115.64 124.10 2vvj s THR 154 Ca 0.72 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2vvj s THR 154 Cb -0.40 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.14 2vvj s THR 154 CO 0.31 0.34 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.56 2vvj s GLY 155 N -0.12 1.32 -0.09 4.40 0.00 1.00 -0.93 107.32 112.89 2vvj s GLY 155 Ca 0.01 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.61 2vvj s GLY 155 CO 0.00 0.23 -0.04 0.99 0.00 0.00 0.00 173.10 174.28 2vvj s ASP 156 N 1.16 4.90 -0.02 1.64 1.01 -0.51 -0.53 116.67 124.32 2vvj s ASP 156 Ca 0.01 0.02 0.01 0.00 0.71 0.00 0.00 52.55 53.29 2vvj s ASP 156 Cb -0.14 -1.42 0.01 0.00 1.01 0.00 0.00 42.92 42.39 2vvj s ASP 156 CO -0.09 0.32 -0.02 -0.63 0.21 0.00 0.00 175.17 174.96 2vvj s ILE 157 N -0.57 0.29 -0.65 0.77 1.01 -0.27 -0.73 121.20 121.05 2vvj s ILE 157 Ca 0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.47 2vvj s ILE 157 Cb -0.12 -0.32 0.08 0.00 0.01 0.00 0.00 42.46 42.12 2vvj s ILE 157 CO 0.02 0.13 0.91 -0.89 0.00 0.00 0.00 174.94 175.11 2vvj s THR 158 N 0.52 4.46 0.24 2.92 2.01 -1.26 -1.56 115.64 122.97 2vvj s THR 158 Ca -0.06 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.44 2vvj s THR 158 Cb -0.09 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.75 2vvj s THR 158 CO -0.01 -1.38 0.24 -0.04 -0.69 0.00 0.00 174.62 172.74 2vvj s MET 159 N 3.67 3.09 -0.13 4.92 1.00 0.47 -4.77 119.30 127.55 2vvj s MET 159 Ca 0.20 -0.94 -0.07 0.00 0.00 0.00 0.00 55.69 54.88 2vvj s MET 159 Cb -0.18 -2.68 0.05 0.00 0.00 0.00 0.00 34.83 32.02 2vvj s MET 159 CO 0.08 0.42 0.31 0.00 0.00 0.00 0.00 175.02 175.84 2vvj s ALA 160 N -2.04 -0.77 -0.09 3.03 0.00 -1.26 -1.46 121.76 119.17 2vvj s ALA 160 Ca 0.33 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 53.28 2vvj s ALA 160 Cb -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2vvj s ALA 160 CO 0.26 -0.22 0.50 -0.51 0.00 0.00 0.00 175.76 175.80 2vvj s LEU 161 N 1.16 4.31 0.11 0.00 1.43 0.12 -0.91 118.68 124.89 2vvj s LEU 161 Ca -0.08 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 2vvj s LEU 161 Cb -0.09 -2.74 -0.07 0.00 0.03 0.00 0.00 46.19 43.33 2vvj s LEU 161 CO -0.09 0.02 1.20 -0.22 0.23 0.00 0.00 176.35 177.49 2vvj s LEU 162 N 0.45 4.40 0.26 1.79 2.96 0.74 -1.13 118.68 128.15 2vvj s LEU 162 Ca 0.27 2.09 0.07 0.00 -0.22 0.00 0.00 54.13 56.35 2vvj s LEU 162 Cb -0.16 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2vvj s LEU 162 CO 0.12 -0.43 0.20 -0.76 -1.32 0.00 0.00 176.35 174.16 2vvj s LEU 163 N 0.60 3.77 0.24 -0.68 1.43 0.22 0.24 118.68 124.49 2vvj s LEU 163 Ca 0.57 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 2vvj s LEU 163 Cb -0.31 -2.31 -0.14 0.00 0.03 0.00 0.00 46.19 43.47 2vvj s LEU 163 CO 0.32 -0.08 1.35 -0.62 0.23 0.00 0.00 176.35 177.55 2vvj n GLU 164 N -1.20 1.88 -0.60 1.70 1.02 0.15 -1.27 120.64 122.32 2vvj n GLU 164 Ca -0.07 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2vvj n GLU 164 Cb 0.58 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2vvj n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvj n GLY 165 N 2.03 0.73 2.50 0.62 0.00 -1.26 -4.34 105.19 105.47 2vvj n GLY 165 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 2vvj n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vvj n ASN 166 N 0.00 -5.22 -4.90 1.61 3.02 -0.40 -5.02 115.26 104.35 2vvj n ASN 166 Ca 0.00 0.37 -0.28 0.00 -0.03 0.00 0.00 54.58 54.64 2vvj n ASN 166 Cb 0.00 -4.32 0.06 0.00 -0.61 0.00 0.00 39.78 34.91 2vvj n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vvj s ALA 167 N -2.72 2.93 0.18 5.41 0.00 -1.25 -4.85 121.76 121.46 2vvj s ALA 167 Ca 0.00 -0.60 0.11 0.00 0.00 0.00 0.00 51.96 51.47 2vvj s ALA 167 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2vvj s ALA 167 CO 0.00 -1.28 -0.23 -1.01 0.00 0.00 0.00 175.76 173.24 2vvj s HIS 168 N -3.35 2.21 -0.17 0.00 3.76 -1.26 -0.61 115.29 115.87 2vvj s HIS 168 Ca 0.59 -0.38 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2vvj s HIS 168 Cb -0.11 -1.11 0.04 0.00 1.11 0.00 0.00 32.58 32.51 2vvj s HIS 168 CO 0.49 0.44 -0.05 -0.47 -0.85 0.00 0.00 174.74 174.30 2vvj s TYR 169 N -1.64 1.72 0.13 1.40 5.04 -0.29 -4.95 117.35 118.77 2vvj s TYR 169 Ca 0.19 -1.10 -0.19 0.00 -2.44 0.00 0.00 57.07 53.52 2vvj s TYR 169 Cb -0.08 -1.32 -0.07 0.00 0.35 0.00 0.00 41.96 40.83 2vvj s TYR 169 CO 0.09 -0.62 0.63 1.03 -1.34 0.00 0.00 175.55 175.33 2vvj s ARG 170 N 1.63 4.23 -0.03 4.97 1.81 -1.26 -0.71 118.95 129.59 2vvj s ARG 170 Ca 0.01 0.79 0.01 0.00 -1.72 0.00 0.00 55.73 54.81 2vvj s ARG 170 Cb -0.15 -3.12 0.02 0.00 -0.45 0.00 0.00 34.95 31.25 2vvj s ARG 170 CO -0.08 0.56 -0.01 0.00 -0.68 0.00 0.00 175.30 175.08 2vvj s ASP 172 N 0.86 5.86 -0.06 0.00 1.01 -0.11 -0.40 116.67 123.83 2vvj s ASP 172 Ca -0.09 0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.31 2vvj s ASP 172 Cb -0.13 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 2vvj s ASP 172 CO -0.01 0.12 -0.19 -0.55 0.21 0.00 0.00 175.17 174.75 2vvj s SER 173 N 0.70 3.55 -0.08 0.27 0.15 -0.60 -0.76 113.70 116.93 2vvj s SER 173 Ca 0.06 -0.37 0.01 0.00 0.70 0.00 0.00 55.95 56.35 2vvj s SER 173 Cb -0.13 -0.93 0.02 0.00 -1.71 0.00 0.00 66.02 63.27 2vvj s SER 173 CO 0.02 0.27 -0.09 -0.60 1.20 0.00 0.00 173.24 174.04 2vvj s ARG 174 N -0.31 1.51 -0.03 5.44 3.52 -0.86 -1.11 118.95 127.11 2vvj s ARG 174 Ca 0.01 -0.30 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 2vvj s ARG 174 Cb -0.13 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.84 2vvj s ARG 174 CO 0.03 -0.11 -0.24 0.99 -0.81 0.00 0.00 175.30 175.15 2vvj s THR 175 N 1.15 2.18 -0.10 4.11 2.01 0.31 -1.41 115.64 123.89 2vvj s THR 175 Ca -0.06 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.90 2vvj s THR 175 Cb -0.14 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2vvj s THR 175 CO -0.02 0.58 -0.11 0.42 -0.69 0.00 0.00 174.62 174.80 2vvj s THR 176 N -0.51 3.25 -0.10 -0.82 -4.23 -0.27 -0.00 115.64 112.95 2vvj s THR 176 Ca 0.07 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 2vvj s THR 176 Cb -0.11 -2.34 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 2vvj s THR 176 CO 0.00 0.55 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.12 2vvj s TYR 177 N -0.19 2.62 -0.12 3.99 2.02 0.25 -1.90 117.35 124.02 2vvj s TYR 177 Ca 0.01 -0.84 -0.02 0.00 -0.37 0.00 0.00 57.07 55.85 2vvj s TYR 177 Cb -0.13 -1.73 0.04 0.00 -0.40 0.00 0.00 41.96 39.74 2vvj s TYR 177 CO 0.03 -0.30 0.03 0.15 -1.57 0.00 0.00 175.55 173.89 2vvj s LYS 178 N 0.22 0.52 0.49 -0.62 1.02 -0.28 -3.72 119.74 117.38 2vvj s LYS 178 Ca -0.13 -0.08 -0.23 0.00 0.02 0.00 0.00 55.97 55.54 2vvj s LYS 178 Cb -0.16 -1.45 -0.06 0.00 -0.52 0.00 0.00 37.83 35.63 2vvj s LYS 178 CO 0.07 -0.47 1.33 0.00 -0.92 0.00 0.00 175.35 175.36 2vvj s ALA 179 N 1.96 2.99 0.11 5.17 0.00 -1.26 -1.42 121.76 129.32 2vvj s ALA 179 Ca 0.03 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 2vvj s ALA 179 Cb -0.14 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 2vvj s ALA 179 CO -0.07 -1.14 1.36 0.87 0.00 0.00 0.00 175.76 176.78 2vvj h LYS 180 N 1.90 0.85 -6.85 0.00 1.57 -1.44 -3.45 116.57 109.15 2vvj h LYS 180 Ca -0.50 -0.61 -0.48 0.00 -1.87 0.00 0.00 60.65 57.18 2vvj h LYS 180 Cb 1.28 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 2vvj h LYS 180 CO 0.59 1.23 0.38 -2.00 -0.57 0.00 0.00 179.45 179.09 2vvj s GLU 181 N -3.94 4.60 0.46 3.15 2.12 -1.26 -5.04 118.70 118.78 2vvj s GLU 181 Ca -0.11 1.49 -0.22 0.00 0.36 0.00 0.00 54.97 56.49 2vvj s GLU 181 Cb 0.09 -2.96 -0.08 0.00 0.26 0.00 0.00 34.13 31.45 2vvj s GLU 181 CO 0.90 0.26 1.11 0.21 -0.54 0.00 0.00 175.26 177.20 2vvj s LYS 182 N -1.78 3.82 0.00 4.30 2.20 -1.26 -4.09 119.74 122.93 2vvj s LYS 182 Ca 0.48 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2vvj s LYS 182 Cb -0.24 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2vvj s LYS 182 CO 0.30 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2vvj n GLY 183 N 0.26 0.49 3.68 5.54 0.00 -1.26 -5.02 105.19 108.88 2vvj n GLY 183 Ca 0.08 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 2vvj n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvj s VAL 184 N -2.00 4.41 0.12 1.61 1.01 -1.26 -4.98 120.40 119.32 2vvj s VAL 184 Ca 0.00 1.71 -0.31 0.00 0.00 0.00 0.00 61.98 63.39 2vvj s VAL 184 Cb 0.00 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 2vvj s VAL 184 CO 0.00 -0.07 1.29 -0.75 0.00 0.00 0.00 175.10 175.58 2vvj s LYS 185 N 2.71 4.39 0.26 2.72 2.20 -1.26 -5.00 119.74 125.76 2vvj s LYS 185 Ca 0.53 1.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.79 2vvj s LYS 185 Cb -0.21 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 2vvj s LYS 185 CO 0.17 -0.30 1.03 -0.51 -0.36 0.00 0.00 175.35 175.38 2vvj s LEU 186 N 0.68 4.59 0.76 5.43 1.43 -1.26 -4.72 118.68 125.59 2vvj s LEU 186 Ca 0.60 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 2vvj s LEU 186 Cb -0.34 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.31 2vvj s LEU 186 CO 0.32 -0.02 1.13 -2.16 0.23 0.00 0.00 176.35 175.85 2vvj s PRO 187 N -1.29 2.41 0.90 1.29 0.04 -1.26 -5.00 135.00 132.09 2vvj s PRO 187 Ca 0.43 0.34 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 2vvj s PRO 187 Cb -0.29 -1.98 0.21 0.00 0.04 0.00 0.00 34.50 32.47 2vvj s PRO 187 CO 0.37 -1.33 1.22 0.41 0.04 0.00 0.00 177.00 177.71 2vvj n GLY 188 N -3.02 -1.38 3.73 0.56 0.00 -1.26 -4.76 105.19 99.06 2vvj n GLY 188 Ca 0.07 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 2vvj n GLY 188 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2vvj n TYR 189 N -3.66 2.78 -3.93 1.61 4.19 -1.26 -4.79 117.16 112.10 2vvj n TYR 189 Ca 0.15 0.10 -0.09 0.00 3.31 0.00 0.00 57.90 61.37 2vvj n TYR 189 Cb 0.54 -2.65 -0.02 0.00 0.49 0.00 0.00 39.34 37.69 2vvj n TYR 189 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 2vvj s HIS 190 N 0.85 0.26 0.12 2.98 -3.43 -0.79 -4.99 115.29 110.30 2vvj s HIS 190 Ca 0.72 -0.70 0.08 0.00 -0.80 0.00 0.00 55.06 54.36 2vvj s HIS 190 Cb -0.51 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.04 2vvj s HIS 190 CO 0.37 -1.21 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.23 2vvj s LEU 191 N -3.04 2.82 -0.17 5.38 1.02 -0.23 -0.55 118.68 123.90 2vvj s LEU 191 Ca 0.19 -0.52 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 2vvj s LEU 191 Cb -0.03 -1.63 0.05 0.00 0.02 0.00 0.00 46.19 44.59 2vvj s LEU 191 CO 0.11 0.17 -0.03 -0.69 0.02 0.00 0.00 176.35 175.92 2vvj s VAL 192 N -1.23 0.99 0.31 -1.59 1.01 0.01 -0.67 120.40 119.23 2vvj s VAL 192 Ca 0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 2vvj s VAL 192 Cb -0.10 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.94 2vvj s VAL 192 CO 0.12 0.05 1.09 -1.81 0.00 0.00 0.00 175.10 174.54 2vvj s ASP 193 N 1.67 7.15 0.05 3.32 1.01 0.17 -0.07 116.67 129.98 2vvj s ASP 193 Ca -0.00 2.23 0.04 0.00 0.71 0.00 0.00 52.55 55.52 2vvj s ASP 193 Cb -0.16 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 2vvj s ASP 193 CO -0.07 -0.22 -0.11 -1.00 0.21 0.00 0.00 175.17 173.97 2vvj s HIS 194 N -1.26 0.98 -0.07 4.23 3.76 0.32 -1.58 115.29 121.67 2vvj s HIS 194 Ca 0.47 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2vvj s HIS 194 Cb -0.30 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 32.85 2vvj s HIS 194 CO 0.38 0.00 0.16 0.00 -0.85 0.00 0.00 174.74 174.43 2vvj s ILE 196 N 0.88 0.91 -0.09 0.00 2.07 -1.26 -1.33 121.20 122.38 2vvj s ILE 196 Ca -0.07 -0.48 -0.04 0.00 -1.41 0.00 0.00 60.65 58.65 2vvj s ILE 196 Cb -0.09 -0.77 0.04 0.00 0.13 0.00 0.00 42.46 41.78 2vvj s ILE 196 CO -0.05 0.26 0.20 -0.70 -1.91 0.00 0.00 174.94 172.75 2vvj s GLU 197 N -0.19 0.14 -0.45 3.50 2.12 0.52 -4.60 118.70 119.75 2vvj s GLU 197 Ca 0.03 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 2vvj s GLU 197 Cb -0.05 -0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.20 2vvj s GLU 197 CO -0.00 -0.18 1.32 0.42 -0.54 0.00 0.00 175.26 176.28 2vvj s ILE 198 N 1.38 3.98 0.11 -3.70 1.01 -1.26 -0.43 121.20 122.29 2vvj s ILE 198 Ca -0.08 0.98 -0.07 0.00 0.00 0.00 0.00 60.65 61.48 2vvj s ILE 198 Cb -0.11 -4.37 -0.19 0.00 0.01 0.00 0.00 42.46 37.80 2vvj s ILE 198 CO -0.07 -0.90 1.28 -0.07 0.00 0.00 0.00 174.94 175.17 2vvj h LEU 199 N 12.01 0.66 -7.04 2.97 3.38 -0.72 -3.48 115.31 123.11 2vvj h LEU 199 Ca -0.26 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.15 2vvj h LEU 199 Cb 1.09 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 2vvj h LEU 199 CO 1.11 1.32 0.17 -0.94 0.09 0.00 0.00 178.44 180.20 2vvj s SER 200 N -7.14 -0.57 0.05 -0.43 1.04 -1.20 -5.00 113.70 100.45 2vvj s SER 200 Ca -0.07 0.20 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 2vvj s SER 200 Cb 0.08 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.84 2vvj s SER 200 CO 0.88 -0.84 0.64 -1.38 0.98 0.00 0.00 173.24 173.53 2vvj s HIS 201 N -2.91 -0.60 0.75 5.02 -3.43 -1.26 -0.40 115.29 112.46 2vvj s HIS 201 Ca -0.03 0.73 -0.10 0.00 -0.80 0.00 0.00 55.06 54.87 2vvj s HIS 201 Cb -0.01 0.48 0.06 0.00 -1.43 0.00 0.00 32.58 31.69 2vvj s HIS 201 CO -0.05 -0.73 1.10 0.16 -2.00 0.00 0.00 174.74 173.22 2vvj s ASP 202 N -1.96 4.80 0.26 7.38 1.47 -0.65 -4.95 116.67 123.03 2vvj s ASP 202 Ca -0.05 0.73 -0.06 0.00 1.18 0.00 0.00 52.55 54.35 2vvj s ASP 202 Cb -0.00 -1.35 0.48 0.00 -0.34 0.00 0.00 42.92 41.71 2vvj s ASP 202 CO -0.01 -1.68 1.60 0.50 0.68 0.00 0.00 175.17 176.26 2vvj h LYS 203 N -0.81 0.04 -0.34 2.11 1.63 -2.02 -1.20 116.57 115.98 2vvj h LYS 203 Ca -0.45 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2vvj h LYS 203 Cb 1.31 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2vvj h LYS 203 CO 0.64 0.03 0.00 -0.25 -3.45 0.00 0.00 179.45 176.42 2vvj n ASP 204 N -5.45 2.69 -2.29 4.20 8.00 -1.26 -4.93 116.55 117.51 2vvj n ASP 204 Ca 0.15 -1.90 -0.21 0.00 0.71 0.00 0.00 54.79 53.55 2vvj n ASP 204 Cb 0.52 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 2vvj n ASP 204 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2vvj n TYR 205 N 0.99 -0.90 0.18 1.24 4.02 -0.45 -4.37 117.16 117.86 2vvj n TYR 205 Ca 0.18 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.13 2vvj n TYR 205 Cb 0.47 -3.91 0.25 0.00 -0.02 0.00 0.00 39.34 36.14 2vvj n TYR 205 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2vvj h ASN 206 N 0.00 0.00 -3.40 7.72 2.35 -1.92 -3.43 115.58 116.90 2vvj h ASN 206 Ca -0.49 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.76 2vvj h ASN 206 Cb 1.36 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.39 2vvj h ASN 206 CO 0.58 0.37 -0.81 -0.54 -1.65 0.00 0.00 177.43 175.39 2vvj s LYS 207 N -3.37 1.56 -0.01 0.81 1.02 -1.26 -0.76 119.74 117.73 2vvj s LYS 207 Ca 0.02 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2vvj s LYS 207 Cb 0.09 -1.35 0.01 0.00 -0.52 0.00 0.00 37.83 36.07 2vvj s LYS 207 CO 0.69 -0.02 0.00 0.08 -0.92 0.00 0.00 175.35 175.18 2vvj s VAL 208 N 0.82 0.05 -0.22 3.17 1.01 -0.63 -1.63 120.40 122.97 2vvj s VAL 208 Ca -0.12 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 2vvj s VAL 208 Cb -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 2vvj s VAL 208 CO 0.02 0.05 0.01 -0.75 0.00 0.00 0.00 175.10 174.43 2vvj s LYS 209 N 0.34 3.59 0.08 2.72 2.20 0.46 0.55 119.74 129.68 2vvj s LYS 209 Ca -0.03 -0.53 0.07 0.00 -0.36 0.00 0.00 55.97 55.13 2vvj s LYS 209 Cb -0.05 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2vvj s LYS 209 CO -0.01 -0.08 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.58 2vvj s LEU 210 N 1.26 2.82 -0.01 5.43 2.96 0.15 0.06 118.68 131.36 2vvj s LEU 210 Ca 0.04 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2vvj s LEU 210 Cb -0.15 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.89 2vvj s LEU 210 CO 0.01 0.21 0.02 -0.47 -1.32 0.00 0.00 176.35 174.81 2vvj s TYR 211 N -1.09 0.00 0.01 5.38 5.04 0.43 -0.74 117.35 126.37 2vvj s TYR 211 Ca 0.18 -0.00 -0.01 0.00 -2.44 0.00 0.00 57.07 54.80 2vvj s TYR 211 Cb -0.11 -0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.18 2vvj s TYR 211 CO 0.10 -0.04 0.01 -2.00 -1.34 0.00 0.00 175.55 172.27 2vvj s GLU 212 N -0.19 0.21 -0.04 4.97 2.12 -0.10 -0.35 118.70 125.31 2vvj s GLU 212 Ca -0.02 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 55.00 2vvj s GLU 212 Cb -0.02 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.47 2vvj s GLU 212 CO -0.00 -0.04 -0.08 -1.58 -0.54 0.00 0.00 175.26 173.03 2vvj s HIS 213 N -0.84 0.95 -0.00 5.30 5.65 -0.44 -1.55 115.29 124.35 2vvj s HIS 213 Ca -0.09 -0.28 0.00 0.00 0.25 0.00 0.00 55.06 54.94 2vvj s HIS 213 Cb -0.06 -0.74 -0.00 0.00 -1.18 0.00 0.00 32.58 30.61 2vvj s HIS 213 CO -0.00 -0.17 -0.01 0.00 -0.65 0.00 0.00 174.74 173.90 2vvj s ALA 214 N 0.59 0.11 -0.05 1.58 0.00 0.20 -1.36 121.76 122.84 2vvj s ALA 214 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2vvj s ALA 214 Cb -0.13 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.99 2vvj s ALA 214 CO 0.01 0.02 0.01 0.08 0.00 0.00 0.00 175.76 175.89 2vvj s VAL 215 N -0.00 0.17 0.22 0.00 1.01 -0.61 -1.30 120.40 119.89 2vvj s VAL 215 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 2vvj s VAL 215 Cb -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 36.38 35.96 2vvj s VAL 215 CO -0.00 0.19 0.71 0.00 0.00 0.00 0.00 175.10 176.00 2vvj s ALA 216 N 1.59 3.43 0.32 5.51 0.00 -0.48 -0.65 121.76 131.47 2vvj s ALA 216 Ca -0.02 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 2vvj s ALA 216 Cb -0.13 -2.79 0.03 0.00 0.00 0.00 0.00 23.12 20.23 2vvj s ALA 216 CO -0.03 0.34 0.69 -3.38 0.00 0.00 0.00 175.76 173.38 2vvj s HIS 217 N -1.52 0.10 -2.30 0.00 -3.43 0.16 -4.43 115.29 103.86 2vvj s HIS 217 Ca 0.43 -0.60 0.23 0.00 -0.80 0.00 0.00 55.06 54.31 2vvj s HIS 217 Cb -0.16 0.62 0.05 0.00 -1.43 0.00 0.00 32.58 31.65 2vvj s HIS 217 CO 0.21 -1.31 1.13 0.43 -2.00 0.00 0.00 174.74 173.19 2vvj n SER 218 N -0.85 2.31 0.00 7.38 7.64 -1.26 -1.07 113.62 127.76 2vvj n SER 218 Ca -0.05 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.18 2vvj n SER 218 Cb 0.60 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 2vvj n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vvj n GLY 219 N 1.39 -2.00 3.77 0.23 0.00 -1.26 -4.86 105.19 102.47 2vvj n GLY 219 Ca 0.11 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 2vvj n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vvj s LEU 220 N 0.00 4.18 0.16 0.99 1.43 -1.26 -2.16 118.68 122.02 2vvj s LEU 220 Ca 0.00 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 2vvj s LEU 220 Cb 0.00 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 42.14 2vvj s LEU 220 CO 0.00 -0.57 1.39 -0.65 0.23 0.00 0.00 176.35 176.75 2vvj h PRO 221 N 2.62 0.38 0.00 1.29 0.11 -2.07 -3.55 132.00 130.78 2vvj h PRO 221 Ca -0.48 -0.35 0.00 0.00 0.11 0.00 0.00 66.00 65.28 2vvj h PRO 221 Cb 1.22 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2vvj h PRO 221 CO 0.63 1.01 0.00 -0.25 -0.21 0.00 0.00 178.00 179.17