#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3vgc s VAL 17 N 0.00 5.01 -0.43 1.39 1.01 -1.23 -3.92 120.40 122.24 3vgc s VAL 17 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3vgc s VAL 17 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3vgc s VAL 17 CO 0.00 0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.90 3vgc n ASN 18 N 4.01 -3.56 -1.74 3.32 3.02 -1.26 -5.03 115.26 114.02 3vgc n ASN 18 Ca -0.00 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3vgc n ASN 18 Cb 0.51 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 3vgc n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3vgc n GLY 19 N -2.39 0.54 3.13 7.41 0.00 -1.25 -5.13 105.19 107.50 3vgc n GLY 19 Ca -0.04 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 3vgc n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3vgc s GLU 20 N -0.60 0.78 0.25 1.61 -1.05 -1.26 -5.13 118.70 113.31 3vgc s GLU 20 Ca 0.00 -1.33 -0.30 0.00 -0.15 0.00 0.00 54.97 53.19 3vgc s GLU 20 Cb 0.00 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.72 3vgc s GLU 20 CO 0.00 -0.15 1.28 -2.00 0.95 0.00 0.00 175.26 175.34 3vgc s GLU 21 N -3.95 4.41 0.65 -4.83 2.12 -1.26 -5.02 118.70 110.82 3vgc s GLU 21 Ca 0.15 2.07 -0.09 0.00 0.36 0.00 0.00 54.97 57.46 3vgc s GLU 21 Cb 0.07 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.32 3vgc s GLU 21 CO -0.04 -0.17 1.01 0.00 -0.54 0.00 0.00 175.26 175.52 3vgc s ALA 22 N -0.47 3.08 -0.02 6.30 0.00 -1.26 -5.02 121.76 124.37 3vgc s ALA 22 Ca 0.52 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 3vgc s ALA 22 Cb -0.37 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3vgc s ALA 22 CO 0.43 -0.97 1.10 0.08 0.00 0.00 0.00 175.76 176.40 3vgc s VAL 23 N -3.19 4.49 0.16 0.00 1.01 -1.26 -4.94 120.40 116.66 3vgc s VAL 23 Ca 0.56 1.78 -0.34 0.00 0.00 0.00 0.00 61.98 63.98 3vgc s VAL 23 Cb -0.11 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 3vgc s VAL 23 CO 0.49 0.08 1.55 -2.65 0.00 0.00 0.00 175.10 174.56 3vgc n PRO 24 N 4.45 2.04 -0.89 2.72 -0.02 -1.26 -1.68 135.00 140.36 3vgc n PRO 24 Ca 0.09 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3vgc n PRO 24 Cb 0.48 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3vgc n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3vgc n GLY 25 N 3.27 1.21 0.00 -1.23 0.00 -1.26 -4.91 105.19 102.27 3vgc n GLY 25 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3vgc n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3vgc n SER 26 N 0.00 0.00 -3.36 1.61 3.41 -0.67 -3.66 113.62 110.95 3vgc n SER 26 Ca 0.00 0.41 -0.26 0.00 -0.26 0.00 0.00 58.87 58.76 3vgc n SER 26 Cb 0.00 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.40 3vgc n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3vgc n TRP 27 N -1.47 1.97 0.32 7.33 7.02 -1.26 -4.98 117.44 126.38 3vgc n TRP 27 Ca 0.07 -3.91 0.20 0.00 -1.02 0.00 0.00 57.50 52.84 3vgc n TRP 27 Cb 0.29 -0.45 1.07 0.00 -2.42 0.00 0.00 31.31 29.80 3vgc n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 3vgc h PRO 28 N 4.23 0.00 0.00 -0.99 0.13 -1.77 -2.06 132.00 131.54 3vgc h PRO 28 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3vgc h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3vgc h PRO 28 CO 0.67 0.00 -0.52 -2.67 -0.23 0.00 0.00 178.00 175.26 3vgc n TRP 29 N -2.96 0.19 -2.26 1.56 2.14 -1.15 -2.17 117.44 112.80 3vgc n TRP 29 Ca -0.03 0.05 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 3vgc n TRP 29 Cb 0.15 -0.41 -0.03 0.00 -0.81 0.00 0.00 31.31 30.22 3vgc n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3vgc s GLN 30 N -3.06 4.30 0.29 -2.67 2.00 -0.78 -1.18 119.66 118.56 3vgc s GLN 30 Ca 0.09 1.92 0.09 0.00 -2.00 0.00 0.00 55.36 55.47 3vgc s GLN 30 Cb 0.16 -3.56 -0.06 0.00 0.80 0.00 0.00 33.01 30.36 3vgc s GLN 30 CO 0.70 -0.55 -0.12 0.14 -0.50 0.00 0.00 175.29 174.96 3vgc s VAL 31 N 2.30 2.07 -0.12 1.34 -7.23 -0.57 -4.53 120.40 113.67 3vgc s VAL 31 Ca 0.63 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3vgc s VAL 31 Cb -0.31 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3vgc s VAL 31 CO 0.26 -0.33 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.02 3vgc s SER 32 N -3.50 3.93 -0.25 4.85 0.15 -0.48 -2.45 113.70 115.95 3vgc s SER 32 Ca 0.30 -0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 3vgc s SER 32 Cb 0.00 -1.48 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 3vgc s SER 32 CO 0.14 0.19 0.36 -0.76 1.20 0.00 0.00 173.24 174.37 3vgc s LEU 33 N 0.19 4.08 0.02 3.45 1.43 0.13 -0.62 118.68 127.37 3vgc s LEU 33 Ca -0.09 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 3vgc s LEU 33 Cb -0.15 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 3vgc s LEU 33 CO 0.05 -0.13 -0.18 -1.10 0.23 0.00 0.00 176.35 175.22 3vgc s GLN 34 N 1.77 1.32 0.98 1.70 -0.21 -0.38 -1.63 119.66 123.20 3vgc s GLN 34 Ca 0.16 -0.80 -0.16 0.00 0.02 0.00 0.00 55.36 54.57 3vgc s GLN 34 Cb -0.15 -1.36 0.20 0.00 1.00 0.00 0.00 33.01 32.70 3vgc s GLN 34 CO 0.09 0.35 1.29 0.16 -2.12 0.00 0.00 175.29 175.06 3vgc s ASP 35 N -0.92 2.94 0.50 5.90 1.47 -0.69 -0.60 116.67 125.28 3vgc s ASP 35 Ca 0.06 0.33 0.34 0.00 1.18 0.00 0.00 52.55 54.47 3vgc s ASP 35 Cb -0.08 -0.42 1.80 0.00 -0.34 0.00 0.00 42.92 43.88 3vgc s ASP 35 CO 0.01 -2.85 2.04 0.07 0.68 0.00 0.00 175.17 175.12 3vgc h LYS 36 N -1.72 0.00 0.00 2.11 2.10 -1.92 0.14 116.57 117.28 3vgc h LYS 36 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3vgc h LYS 36 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3vgc h LYS 36 CO 0.39 0.00 0.00 1.15 -2.00 0.00 0.00 179.45 178.99 3vgc h THR 37 N 0.00 0.00 0.00 0.07 2.02 -1.94 -3.47 112.91 109.59 3vgc h THR 37 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3vgc h THR 37 Cb 0.05 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3vgc h THR 37 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3vgc n GLY 38 N 1.19 0.81 3.65 2.16 0.00 0.04 -5.06 105.19 107.98 3vgc n GLY 38 Ca 0.05 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3vgc n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3vgc s PHE 39 N -2.00 3.34 -0.05 1.61 5.36 -1.26 -4.83 117.98 120.15 3vgc s PHE 39 Ca 0.00 1.09 -0.30 0.00 -0.96 0.00 0.00 56.93 56.76 3vgc s PHE 39 Cb 0.00 -2.98 -0.04 0.00 -0.34 0.00 0.00 43.02 39.66 3vgc s PHE 39 CO 0.00 -0.32 1.30 -1.58 -1.46 0.00 0.00 175.22 173.16 3vgc s HIS 40 N 2.51 2.96 0.00 10.12 5.65 -1.26 -1.71 115.29 133.56 3vgc s HIS 40 Ca 0.34 1.00 0.00 0.00 0.25 0.00 0.00 55.06 56.64 3vgc s HIS 40 Cb -0.16 -3.54 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 3vgc s HIS 40 CO 0.09 -1.89 0.00 1.97 -0.65 0.00 0.00 174.74 174.26 3vgc n PHE 41 N 5.56 0.00 -3.60 3.88 1.16 -0.65 -5.01 117.46 118.81 3vgc n PHE 41 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.61 3vgc n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 3vgc n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3vgc n GLY 43 N -0.40 2.49 3.69 0.00 0.00 -1.26 -0.69 105.19 109.02 3vgc n GLY 43 Ca -0.11 -2.27 -0.00 0.00 0.00 0.00 0.00 46.02 43.63 3vgc n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3vgc s GLY 44 N -4.25 -0.32 -0.03 -0.02 0.00 -1.02 -4.66 107.32 97.02 3vgc s GLY 44 Ca 0.39 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.55 3vgc s GLY 44 CO 0.25 0.31 -0.08 -0.56 0.00 0.00 0.00 173.10 173.01 3vgc s SER 45 N -3.01 1.19 0.01 1.64 0.01 -0.16 -1.51 113.70 111.87 3vgc s SER 45 Ca 0.14 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.92 3vgc s SER 45 Cb 0.02 -0.37 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 3vgc s SER 45 CO -0.01 0.05 1.08 -0.76 0.41 0.00 0.00 173.24 174.01 3vgc s LEU 46 N 0.32 4.35 0.00 2.44 1.43 -0.33 -0.61 118.68 126.28 3vgc s LEU 46 Ca -0.05 1.79 0.14 0.00 -1.03 0.00 0.00 54.13 54.98 3vgc s LEU 46 Cb -0.10 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3vgc s LEU 46 CO 0.01 -0.38 0.74 2.30 0.23 0.00 0.00 176.35 179.25 3vgc n ILE 47 N 4.04 0.00 0.00 -0.59 -5.35 -0.78 -2.13 119.36 114.55 3vgc n ILE 47 Ca 0.08 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3vgc n ILE 47 Cb 0.49 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 3vgc n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3vgc n ASN 48 N -0.42 0.00 0.02 7.28 2.04 -1.24 -4.76 115.26 118.17 3vgc n ASN 48 Ca 0.05 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.26 3vgc n ASN 48 Cb 0.28 0.00 0.30 0.00 -2.53 0.00 0.00 39.78 37.83 3vgc n ASN 48 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 3vgc n GLU 49 N -0.01 0.02 0.00 -3.83 0.00 -1.26 -3.41 120.64 112.15 3vgc n GLU 49 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 57.16 57.47 3vgc n GLU 49 Cb 0.00 -1.55 -0.00 0.00 0.00 0.00 0.00 31.44 29.89 3vgc n GLU 49 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3vgc n ASN 50 N -1.60 0.60 -3.98 -1.84 3.02 -1.26 0.04 115.26 110.24 3vgc n ASN 50 Ca 0.03 -0.80 -0.18 0.00 -0.03 0.00 0.00 54.58 53.59 3vgc n ASN 50 Cb 0.15 0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 39.66 3vgc n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3vgc s TRP 51 N -0.60 0.73 -0.03 3.10 0.52 -1.22 -0.72 118.94 120.73 3vgc s TRP 51 Ca 0.01 -0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.05 3vgc s TRP 51 Cb 0.01 -0.51 -0.02 0.00 -1.15 0.00 0.00 33.47 31.80 3vgc s TRP 51 CO 0.03 -0.05 -0.24 0.08 0.02 0.00 0.00 176.95 176.79 3vgc s VAL 52 N 0.04 1.94 -0.13 4.03 1.01 -0.26 -1.87 120.40 125.16 3vgc s VAL 52 Ca -0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 3vgc s VAL 52 Cb -0.06 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3vgc s VAL 52 CO -0.00 0.55 0.04 0.68 0.00 0.00 0.00 175.10 176.37 3vgc s VAL 53 N -0.50 4.65 0.08 2.92 -7.23 0.22 -0.35 120.40 120.20 3vgc s VAL 53 Ca 0.07 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.13 3vgc s VAL 53 Cb -0.10 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.82 3vgc s VAL 53 CO -0.00 0.55 0.11 1.07 -0.31 0.00 0.00 175.10 176.52 3vgc n THR 54 N 2.65 0.00 -3.52 5.32 5.66 -0.25 -0.98 114.28 123.16 3vgc n THR 54 Ca -0.18 -0.43 -0.37 0.00 -3.05 0.00 0.00 64.05 60.02 3vgc n THR 54 Cb 0.53 0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.51 3vgc n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3vgc s ALA 55 N -1.90 3.70 0.38 1.79 0.00 -1.26 -1.36 121.76 123.11 3vgc s ALA 55 Ca 0.07 -0.27 0.07 0.00 0.00 0.00 0.00 51.96 51.83 3vgc s ALA 55 Cb -0.00 -2.35 0.74 0.00 0.00 0.00 0.00 23.12 21.51 3vgc s ALA 55 CO 0.05 0.51 1.94 0.00 0.00 0.00 0.00 175.76 178.26 3vgc h ALA 56 N 4.32 1.51 0.00 0.00 0.00 -1.74 -2.45 119.26 120.90 3vgc h ALA 56 Ca -0.51 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3vgc h ALA 56 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3vgc h ALA 56 CO 0.63 0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.85 3vgc n HIS 57 N -4.33 0.36 0.31 0.00 1.44 -1.26 -2.54 115.22 109.19 3vgc n HIS 57 Ca 0.01 0.14 0.19 0.00 -2.01 0.00 0.00 57.72 56.05 3vgc n HIS 57 Cb 0.21 -0.72 0.99 0.00 0.12 0.00 0.00 29.99 30.58 3vgc n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3vgc n GLY 59 N -0.80 -0.53 3.77 0.00 0.00 -1.05 -4.96 105.19 101.62 3vgc n GLY 59 Ca -0.02 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3vgc n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3vgc s VAL 60 N -3.32 2.41 0.38 1.61 1.01 -1.26 -5.05 120.40 116.18 3vgc s VAL 60 Ca 0.56 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.94 3vgc s VAL 60 Cb -0.25 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3vgc s VAL 60 CO 0.72 0.04 0.06 0.42 0.00 0.00 0.00 175.10 176.35 3vgc s THR 61 N -1.26 1.17 -1.71 3.92 -4.23 -1.26 -4.99 115.64 107.28 3vgc s THR 61 Ca 0.60 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.34 3vgc s THR 61 Cb -0.40 -2.66 0.53 0.00 1.34 0.00 0.00 72.50 71.32 3vgc s THR 61 CO 0.50 0.00 1.76 0.35 -0.54 0.00 0.00 174.62 176.69 3vgc n THR 62 N -0.84 0.15 0.75 3.99 -2.24 -1.26 -2.36 114.28 112.47 3vgc n THR 62 Ca -0.05 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 3vgc n THR 62 Cb 0.66 -0.67 0.25 0.00 -2.10 0.00 0.00 70.33 68.48 3vgc n THR 62 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3vgc n SER 63 N -1.15 0.57 -4.90 3.42 7.64 -1.26 -4.54 113.62 113.41 3vgc n SER 63 Ca 0.14 0.07 -0.28 0.00 1.01 0.00 0.00 58.87 59.81 3vgc n SER 63 Cb 0.13 0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 3vgc n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3vgc s ASP 64 N -3.73 5.89 0.05 6.43 1.01 -1.00 -4.05 116.67 121.28 3vgc s ASP 64 Ca 0.09 0.96 0.07 0.00 0.71 0.00 0.00 52.55 54.37 3vgc s ASP 64 Cb 0.15 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 42.02 3vgc s ASP 64 CO 0.69 -0.91 -0.19 0.54 0.21 0.00 0.00 175.17 175.50 3vgc s VAL 65 N -2.99 1.55 -0.23 -1.27 0.11 0.23 -4.33 120.40 113.47 3vgc s VAL 65 Ca 0.53 -1.21 -0.14 0.00 -2.93 0.00 0.00 61.98 58.22 3vgc s VAL 65 Cb -0.11 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 3vgc s VAL 65 CO 0.47 0.11 0.34 -0.69 -3.33 0.00 0.00 175.10 172.01 3vgc s VAL 66 N -0.88 5.22 -0.25 2.04 1.01 -0.32 -1.25 120.40 125.97 3vgc s VAL 66 Ca 0.06 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 3vgc s VAL 66 Cb -0.09 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3vgc s VAL 66 CO 0.02 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 174.66 3vgc s VAL 67 N 1.47 3.46 0.18 2.92 1.01 0.20 0.15 120.40 129.79 3vgc s VAL 67 Ca 0.16 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3vgc s VAL 67 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 3vgc s VAL 67 CO 0.08 0.28 0.02 0.00 0.00 0.00 0.00 175.10 175.48 3vgc s ALA 68 N 1.46 3.26 -0.24 5.51 0.00 0.03 -1.38 121.76 130.39 3vgc s ALA 68 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3vgc s ALA 68 Cb -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.92 3vgc s ALA 68 CO -0.02 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.63 3vgc n GLY 69 N -0.19 0.54 3.87 0.00 0.00 -1.26 -0.68 105.19 107.46 3vgc n GLY 69 Ca -0.09 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 3vgc n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3vgc s GLU 70 N -1.30 3.68 0.06 1.61 2.12 -1.26 -4.59 118.70 119.02 3vgc s GLU 70 Ca 0.00 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.43 3vgc s GLU 70 Cb 0.00 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.27 3vgc s GLU 70 CO 0.00 0.67 0.00 0.34 -0.54 0.00 0.00 175.26 175.73 3vgc n PHE 71 N 1.43 -0.08 -3.65 5.30 7.35 -1.26 -4.89 117.46 121.67 3vgc n PHE 71 Ca -0.13 0.01 -0.39 0.00 -0.76 0.00 0.00 57.45 56.18 3vgc n PHE 71 Cb 0.53 0.03 -0.11 0.00 0.35 0.00 0.00 39.48 40.28 3vgc n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3vgc s ASP 72 N -5.53 5.55 0.00 -2.13 -1.08 -1.26 -4.95 116.67 107.27 3vgc s ASP 72 Ca 0.00 -1.45 0.09 0.00 -0.52 0.00 0.00 52.55 50.67 3vgc s ASP 72 Cb 0.00 -1.95 0.42 0.00 -1.46 0.00 0.00 42.92 39.93 3vgc s ASP 72 CO 0.00 -0.49 1.26 0.00 0.52 0.00 0.00 175.17 176.46 3vgc n GLN 73 N 4.87 0.04 -0.01 4.34 6.02 -1.26 -1.51 117.38 129.87 3vgc n GLN 73 Ca -0.10 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 3vgc n GLN 73 Cb 0.43 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.32 3vgc n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3vgc n GLY 74 N -0.53 0.99 3.85 1.08 0.00 -1.26 -4.96 105.19 104.37 3vgc n GLY 74 Ca 0.03 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3vgc n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3vgc s SER 75 N -1.97 6.74 0.00 1.61 0.15 -0.57 -5.00 113.70 114.66 3vgc s SER 75 Ca 0.29 0.91 0.20 0.00 0.70 0.00 0.00 55.95 58.05 3vgc s SER 75 Cb 0.20 -2.22 -0.19 0.00 -1.71 0.00 0.00 66.02 62.09 3vgc s SER 75 CO 0.30 0.23 0.87 -1.20 1.20 0.00 0.00 173.24 174.64 3vgc n SER 76 N 1.29 1.05 -1.25 5.45 7.64 -1.26 -4.50 113.62 122.04 3vgc n SER 76 Ca -0.10 -1.02 0.09 0.00 1.01 0.00 0.00 58.87 58.84 3vgc n SER 76 Cb 0.52 0.94 0.29 0.00 -1.01 0.00 0.00 64.21 64.96 3vgc n SER 76 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3vgc n SER 77 N -1.32 4.13 -4.80 6.43 3.41 -1.26 -4.95 113.62 115.26 3vgc n SER 77 Ca 0.04 -2.36 -0.39 0.00 -0.26 0.00 0.00 58.87 55.91 3vgc n SER 77 Cb 0.32 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 3vgc n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3vgc s GLU 78 N -1.67 4.26 -1.13 4.33 2.02 -1.26 -4.98 118.70 120.27 3vgc s GLU 78 Ca 0.43 0.81 -0.17 0.00 0.02 0.00 0.00 54.97 56.06 3vgc s GLU 78 Cb 0.27 -3.24 0.13 0.00 0.10 0.00 0.00 34.13 31.39 3vgc s GLU 78 CO 0.22 0.62 1.41 0.21 0.02 0.00 0.00 175.26 177.75 3vgc s LYS 79 N -1.10 3.88 0.49 1.61 2.20 -1.26 -4.98 119.74 120.59 3vgc s LYS 79 Ca 0.30 -2.07 0.03 0.00 -0.36 0.00 0.00 55.97 53.86 3vgc s LYS 79 Cb -0.20 -5.15 0.02 0.00 -1.51 0.00 0.00 37.83 30.98 3vgc s LYS 79 CO 0.20 -1.92 0.70 0.96 -0.36 0.00 0.00 175.35 174.93 3vgc s ILE 80 N 2.80 3.05 -0.20 5.43 -4.36 -1.26 -4.87 121.20 121.80 3vgc s ILE 80 Ca 0.43 -0.73 0.01 0.00 -0.26 0.00 0.00 60.65 60.10 3vgc s ILE 80 Cb -0.02 -3.11 0.03 0.00 1.25 0.00 0.00 42.46 40.61 3vgc s ILE 80 CO -0.02 -0.07 -0.18 -1.10 0.24 0.00 0.00 174.94 173.81 3vgc s GLN 81 N -4.60 2.88 -0.45 0.37 -0.21 0.14 -4.98 119.66 112.80 3vgc s GLN 81 Ca 0.55 -0.91 -0.16 0.00 0.02 0.00 0.00 55.36 54.86 3vgc s GLN 81 Cb -0.10 -2.64 0.05 0.00 1.00 0.00 0.00 33.01 31.32 3vgc s GLN 81 CO 0.37 -0.27 0.38 0.15 -2.12 0.00 0.00 175.29 173.79 3vgc s LYS 82 N 1.26 2.99 -0.14 2.91 1.02 -1.26 -0.79 119.74 125.74 3vgc s LYS 82 Ca 0.03 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 3vgc s LYS 82 Cb -0.14 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 3vgc s LYS 82 CO -0.11 -0.92 0.03 -0.51 -0.92 0.00 0.00 175.35 172.92 3vgc s LEU 83 N 1.76 3.70 0.41 3.17 1.43 0.12 -4.95 118.68 124.32 3vgc s LEU 83 Ca 0.06 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 3vgc s LEU 83 Cb -0.21 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.01 3vgc s LEU 83 CO 0.09 0.26 0.90 -0.54 0.23 0.00 0.00 176.35 177.29 3vgc s LYS 84 N -0.19 4.14 -0.26 1.70 1.02 -1.26 -1.18 119.74 123.72 3vgc s LYS 84 Ca 0.06 0.99 -0.10 0.00 0.02 0.00 0.00 55.97 56.94 3vgc s LYS 84 Cb -0.12 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 3vgc s LYS 84 CO 0.02 -0.01 0.16 0.42 -0.92 0.00 0.00 175.35 175.01 3vgc s ILE 85 N -2.18 5.18 -0.12 2.17 1.01 -1.26 -0.95 121.20 125.05 3vgc s ILE 85 Ca 0.60 0.12 -0.27 0.00 0.00 0.00 0.00 60.65 61.09 3vgc s ILE 85 Cb -0.09 -3.44 -0.27 0.00 0.01 0.00 0.00 42.46 38.67 3vgc s ILE 85 CO 0.16 0.31 0.81 0.00 0.00 0.00 0.00 174.94 176.22 3vgc h ALA 86 N 7.97 -0.02 -2.62 9.38 0.00 -0.43 -3.44 119.26 130.11 3vgc h ALA 86 Ca -0.37 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 3vgc h ALA 86 Cb 1.18 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3vgc h ALA 86 CO 0.60 0.07 -0.48 0.15 0.00 0.00 0.00 179.25 179.59 3vgc s LYS 87 N -2.32 0.60 -0.25 0.00 1.02 -1.01 -4.99 119.74 112.79 3vgc s LYS 87 Ca -0.18 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 3vgc s LYS 87 Cb -0.02 0.24 0.03 0.00 -0.52 0.00 0.00 37.83 37.56 3vgc s LYS 87 CO 0.72 -0.16 -0.07 0.08 -0.92 0.00 0.00 175.35 175.01 3vgc s VAL 88 N -2.39 2.79 -0.68 3.17 1.01 -1.26 -1.38 120.40 121.66 3vgc s VAL 88 Ca -0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 3vgc s VAL 88 Cb -0.02 -2.43 0.18 0.00 0.00 0.00 0.00 36.38 34.11 3vgc s VAL 88 CO -0.03 0.19 0.55 -0.36 0.00 0.00 0.00 175.10 175.44 3vgc s PHE 89 N 1.30 3.54 -0.18 5.22 0.40 0.32 -4.99 117.98 123.60 3vgc s PHE 89 Ca -0.00 -2.30 -0.27 0.00 -0.60 0.00 0.00 56.93 53.75 3vgc s PHE 89 Cb -0.17 -3.49 -0.01 0.00 0.51 0.00 0.00 43.02 39.87 3vgc s PHE 89 CO -0.05 -0.92 0.93 0.21 0.70 0.00 0.00 175.22 176.09 3vgc s LYS 90 N 0.25 4.30 -0.21 0.44 2.20 -1.26 -0.90 119.74 124.56 3vgc s LYS 90 Ca 0.15 1.18 -0.38 0.00 -0.36 0.00 0.00 55.97 56.56 3vgc s LYS 90 Cb -0.17 -3.59 -0.15 0.00 -1.51 0.00 0.00 37.83 32.40 3vgc s LYS 90 CO -0.05 -0.43 1.76 -1.71 -0.36 0.00 0.00 175.35 174.56 3vgc n ASN 91 N 5.57 2.62 0.32 1.43 2.85 -0.87 -4.81 115.26 122.38 3vgc n ASN 91 Ca 0.08 1.05 0.20 0.00 -0.11 0.00 0.00 54.58 55.80 3vgc n ASN 91 Cb 0.48 -1.20 1.12 0.00 1.24 0.00 0.00 39.78 41.41 3vgc n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3vgc h SER 92 N 7.55 0.00 0.48 1.20 4.64 -1.93 -0.06 113.55 125.43 3vgc h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3vgc h SER 92 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3vgc h SER 92 CO 0.95 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 177.13 3vgc n LYS 93 N -3.35 0.53 -1.72 4.77 4.01 -1.26 -4.89 118.16 116.24 3vgc n LYS 93 Ca -0.03 -0.10 -0.42 0.00 -0.51 0.00 0.00 58.31 57.25 3vgc n LYS 93 Cb 0.08 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.07 3vgc n LYS 93 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 3vgc n TYR 94 N -1.15 2.78 -3.94 2.13 9.36 -0.04 -4.69 117.16 121.61 3vgc n TYR 94 Ca 0.14 0.08 -0.34 0.00 3.32 0.00 0.00 57.90 61.11 3vgc n TYR 94 Cb 0.26 -2.66 -0.14 0.00 -0.63 0.00 0.00 39.34 36.17 3vgc n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3vgc s ASN 95 N 1.03 4.84 0.37 2.98 3.84 -0.34 -4.98 114.94 122.69 3vgc s ASN 95 Ca 0.73 -1.65 0.28 0.00 0.21 0.00 0.00 52.86 52.43 3vgc s ASN 95 Cb -0.50 -1.68 1.21 0.00 -0.55 0.00 0.00 41.25 39.73 3vgc s ASN 95 CO 0.36 -0.33 1.83 0.77 -2.79 0.00 0.00 177.10 176.93 3vgc h SER 96 N 7.87 0.00 0.65 -4.21 4.64 -1.93 0.39 113.55 120.97 3vgc h SER 96 Ca -0.15 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.90 3vgc h SER 96 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3vgc h SER 96 CO 0.55 0.00 -1.23 -0.07 -0.87 0.00 0.00 176.83 175.21 3vgc h LEU 97 N 0.00 0.41 -0.12 5.97 4.07 -1.96 -3.34 115.31 120.32 3vgc h LEU 97 Ca 0.00 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.53 3vgc h LEU 97 Cb 0.33 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.94 3vgc h LEU 97 CO 0.00 1.34 -0.63 0.35 -1.08 0.00 0.00 178.44 178.41 3vgc n THR 98 N -3.53 0.00 -2.29 0.22 -2.24 -1.08 -4.98 114.28 100.38 3vgc n THR 98 Ca -0.08 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 3vgc n THR 98 Cb 1.02 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 70.26 3vgc n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3vgc n ILE 99 N -1.17 -0.82 -3.29 2.28 2.08 0.14 -5.00 119.36 113.58 3vgc n ILE 99 Ca 0.03 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.02 3vgc n ILE 99 Cb 0.24 -2.68 -0.06 0.00 -0.75 0.00 0.00 39.64 36.39 3vgc n ILE 99 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3vgc s ASN 100 N -2.20 6.73 -1.25 4.38 3.04 -1.05 -4.12 114.94 120.47 3vgc s ASN 100 Ca 0.00 1.10 -0.00 0.00 0.04 0.00 0.00 52.86 54.00 3vgc s ASN 100 Cb 0.00 -2.30 0.00 0.00 -1.54 0.00 0.00 41.25 37.41 3vgc s ASN 100 CO 0.00 -0.10 0.89 0.59 -3.04 0.00 0.00 177.10 175.44 3vgc n ASN 101 N -0.08 -1.81 -4.12 -4.21 3.02 -1.26 -1.20 115.26 105.59 3vgc n ASN 101 Ca 0.01 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.44 3vgc n ASN 101 Cb 0.53 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 3vgc n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3vgc n ASP 102 N -3.10 4.41 -3.82 6.41 2.03 -1.26 -4.01 116.55 117.22 3vgc n ASP 102 Ca -0.28 -2.89 -0.12 0.00 0.52 0.00 0.00 54.79 52.01 3vgc n ASP 102 Cb 0.67 -1.69 -0.13 0.00 -0.72 0.00 0.00 41.12 39.25 3vgc n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3vgc s ILE 103 N 3.52 -0.00 -0.01 5.18 2.07 -1.26 -3.60 121.20 127.09 3vgc s ILE 103 Ca 0.50 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.76 3vgc s ILE 103 Cb 0.09 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.47 3vgc s ILE 103 CO -0.01 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.11 3vgc s THR 104 N 0.14 0.24 -0.07 4.00 2.01 -0.47 -2.06 115.64 119.43 3vgc s THR 104 Ca -0.01 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 3vgc s THR 104 Cb -0.02 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 3vgc s THR 104 CO -0.00 0.10 0.09 -0.76 -0.69 0.00 0.00 174.62 173.35 3vgc s LEU 105 N 0.30 4.02 -0.15 4.42 1.43 -0.08 -1.09 118.68 127.53 3vgc s LEU 105 Ca -0.03 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3vgc s LEU 105 Cb -0.06 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.09 3vgc s LEU 105 CO -0.01 0.36 -0.19 -0.76 0.23 0.00 0.00 176.35 175.98 3vgc s LEU 106 N -1.21 2.26 -0.28 1.79 1.43 0.53 -0.52 118.68 122.67 3vgc s LEU 106 Ca 0.17 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 3vgc s LEU 106 Cb -0.12 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 3vgc s LEU 106 CO 0.07 0.07 0.39 -0.75 0.23 0.00 0.00 176.35 176.36 3vgc s LYS 107 N 0.88 3.94 0.19 1.70 2.47 -0.48 -1.10 119.74 127.35 3vgc s LYS 107 Ca -0.05 -0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.05 3vgc s LYS 107 Cb -0.15 -3.68 -0.08 0.00 -1.46 0.00 0.00 37.83 32.46 3vgc s LYS 107 CO -0.02 -0.33 1.06 -0.51 0.16 0.00 0.00 175.35 175.70 3vgc s LEU 108 N 2.10 4.52 0.37 5.43 1.43 0.10 0.27 118.68 132.90 3vgc s LEU 108 Ca 0.15 2.06 0.19 0.00 -1.03 0.00 0.00 54.13 55.51 3vgc s LEU 108 Cb -0.16 -3.61 0.23 0.00 0.03 0.00 0.00 46.19 42.69 3vgc s LEU 108 CO 0.10 -0.14 1.54 0.77 0.23 0.00 0.00 176.35 178.86 3vgc h SER 109 N 4.85 0.00 -3.36 2.29 4.64 -1.32 -3.42 113.55 117.23 3vgc h SER 109 Ca -0.45 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 3vgc h SER 109 Cb 1.21 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.93 3vgc h SER 109 CO 0.71 0.23 -0.82 0.28 -0.87 0.00 0.00 176.83 176.37 3vgc s THR 110 N -3.11 1.66 0.40 2.95 -1.32 -1.25 -4.99 115.64 109.99 3vgc s THR 110 Ca 0.05 -0.95 -0.27 0.00 -1.21 0.00 0.00 61.69 59.32 3vgc s THR 110 Cb 0.06 -1.69 -0.09 0.00 -1.51 0.00 0.00 72.50 69.27 3vgc s THR 110 CO 0.70 0.24 1.38 0.00 -2.21 0.00 0.00 174.62 174.73 3vgc s ALA 111 N 1.40 3.35 0.54 11.08 0.00 -1.26 -4.71 121.76 132.16 3vgc s ALA 111 Ca 0.00 1.38 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 3vgc s ALA 111 Cb -0.15 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 3vgc s ALA 111 CO -0.09 -0.97 1.08 0.00 0.00 0.00 0.00 175.76 175.78 3vgc s ALA 112 N -1.20 2.76 -0.36 0.00 0.00 0.11 -5.01 121.76 118.06 3vgc s ALA 112 Ca 0.56 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 3vgc s ALA 112 Cb -0.42 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.43 3vgc s ALA 112 CO 0.55 -0.62 0.21 0.45 0.00 0.00 0.00 175.76 176.35 3vgc s SER 113 N -2.11 5.78 0.24 0.00 0.15 -1.26 -4.78 113.70 111.73 3vgc s SER 113 Ca 0.68 -0.82 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 3vgc s SER 113 Cb -0.19 -2.05 -0.09 0.00 -1.71 0.00 0.00 66.02 61.98 3vgc s SER 113 CO 0.27 -0.34 1.23 -0.36 1.20 0.00 0.00 173.24 175.24 3vgc s PHE 114 N 1.60 3.32 0.00 3.44 0.40 -1.26 -4.80 117.98 120.69 3vgc s PHE 114 Ca 0.03 1.42 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 3vgc s PHE 114 Cb -0.18 -3.51 0.00 0.00 0.51 0.00 0.00 43.02 39.84 3vgc s PHE 114 CO 0.07 -1.42 0.00 -1.13 0.70 0.00 0.00 175.22 173.45 3vgc n SER 115 N 1.86 0.00 0.18 1.36 3.41 -0.38 -4.96 113.62 115.09 3vgc n SER 115 Ca 0.03 -0.66 0.05 0.00 -0.26 0.00 0.00 58.87 58.03 3vgc n SER 115 Cb 0.43 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.86 3vgc n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3vgc h GLN 116 N 0.00 0.10 -0.21 4.33 4.20 -1.98 -3.00 115.11 118.55 3vgc h GLN 116 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3vgc h GLN 116 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3vgc h GLN 116 CO 0.00 0.23 0.00 0.25 -0.67 0.00 0.00 178.83 178.64 3vgc n THR 117 N -4.34 0.26 -3.64 -0.54 -2.24 -1.26 -4.86 114.28 97.65 3vgc n THR 117 Ca -0.02 -0.63 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 3vgc n THR 117 Cb 0.22 1.21 -0.17 0.00 -2.10 0.00 0.00 70.33 69.49 3vgc n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3vgc s VAL 118 N -1.64 -0.05 0.35 2.28 1.01 -1.14 -4.33 120.40 116.88 3vgc s VAL 118 Ca 0.32 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 3vgc s VAL 118 Cb 0.20 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 36.18 3vgc s VAL 118 CO 0.29 -0.10 0.67 -1.54 0.00 0.00 0.00 175.10 174.42 3vgc n SER 119 N 5.27 -1.94 -4.91 3.32 3.41 -0.92 -1.26 113.62 116.60 3vgc n SER 119 Ca -0.06 -2.44 -0.32 0.00 -0.26 0.00 0.00 58.87 55.79 3vgc n SER 119 Cb 0.49 3.26 -0.04 0.00 -0.26 0.00 0.00 64.21 67.65 3vgc n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3vgc s ALA 120 N -2.04 3.91 0.27 7.33 0.00 -1.26 -2.93 121.76 127.04 3vgc s ALA 120 Ca 0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 3vgc s ALA 120 Cb -0.04 -1.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 3vgc s ALA 120 CO 0.11 0.75 0.50 0.54 0.00 0.00 0.00 175.76 177.66 3vgc s VAL 121 N -1.51 5.09 0.36 0.00 0.11 -0.91 -4.91 120.40 118.64 3vgc s VAL 121 Ca 0.35 -0.11 -0.14 0.00 -2.93 0.00 0.00 61.98 59.15 3vgc s VAL 121 Cb -0.13 -3.74 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 3vgc s VAL 121 CO 0.24 -0.29 0.76 0.00 -3.33 0.00 0.00 175.10 172.48 3vgc s LEU 123 N -3.33 4.03 0.73 0.00 1.43 -1.26 -5.12 118.68 115.16 3vgc s LEU 123 Ca 0.54 0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 53.77 3vgc s LEU 123 Cb -0.10 -2.29 0.05 0.00 0.03 0.00 0.00 46.19 43.89 3vgc s LEU 123 CO 0.23 0.29 1.08 -2.16 0.23 0.00 0.00 176.35 176.02 3vgc s PRO 124 N -1.64 2.31 0.41 1.29 0.04 -1.26 -5.06 135.00 131.09 3vgc s PRO 124 Ca 0.22 0.03 -0.14 0.00 0.04 0.00 0.00 61.00 61.15 3vgc s PRO 124 Cb -0.12 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 3vgc s PRO 124 CO 0.13 -1.27 0.83 -1.12 0.04 0.00 0.00 177.00 175.60 3vgc s SER 125 N -4.49 6.66 0.50 6.66 0.01 -1.26 -4.93 113.70 116.85 3vgc s SER 125 Ca 0.60 1.33 0.31 0.00 1.31 0.00 0.00 55.95 59.50 3vgc s SER 125 Cb -0.11 -2.40 1.67 0.00 0.21 0.00 0.00 66.02 65.39 3vgc s SER 125 CO 0.48 -0.38 1.93 0.00 0.41 0.00 0.00 173.24 175.67 3vgc h ALA 126 N 1.53 1.06 -0.60 1.44 0.00 -2.08 -0.73 119.26 119.87 3vgc h ALA 126 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3vgc h ALA 126 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3vgc h ALA 126 CO 0.63 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.70 3vgc n SER 127 N -2.63 3.65 -4.77 0.00 3.41 -1.26 -4.99 113.62 107.03 3vgc n SER 127 Ca -0.02 -1.99 -0.40 0.00 -0.26 0.00 0.00 58.87 56.20 3vgc n SER 127 Cb 0.12 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3vgc n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3vgc s ASP 128 N -1.05 6.82 -0.20 4.04 1.01 -0.28 -5.02 116.67 121.98 3vgc s ASP 128 Ca 0.42 2.60 -0.05 0.00 0.71 0.00 0.00 52.55 56.22 3vgc s ASP 128 Cb 0.22 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 3vgc s ASP 128 CO 0.29 -0.49 -0.01 -0.62 0.21 0.00 0.00 175.17 174.55 3vgc s ASP 129 N -0.61 4.73 -0.32 0.27 2.15 -1.26 -4.99 116.67 116.64 3vgc s ASP 129 Ca 0.49 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.26 3vgc s ASP 129 Cb -0.38 -1.80 0.10 0.00 -0.30 0.00 0.00 42.92 40.54 3vgc s ASP 129 CO 0.50 0.06 0.06 -0.36 -0.17 0.00 0.00 175.17 175.27 3vgc s PHE 130 N 1.00 2.80 0.51 -5.34 0.08 -1.26 -5.11 117.98 110.66 3vgc s PHE 130 Ca 0.01 -2.38 -0.22 0.00 0.12 0.00 0.00 56.93 54.46 3vgc s PHE 130 Cb -0.14 -2.32 -0.06 0.00 -0.57 0.00 0.00 43.02 39.92 3vgc s PHE 130 CO 0.01 -0.91 1.24 0.00 -0.10 0.00 0.00 175.22 175.47 3vgc s ALA 131 N 1.24 2.87 0.38 5.36 0.00 -1.26 -5.00 121.76 125.35 3vgc s ALA 131 Ca 0.09 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 3vgc s ALA 131 Cb -0.18 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 3vgc s ALA 131 CO -0.15 -0.98 1.42 0.00 0.00 0.00 0.00 175.76 176.04 3vgc s ALA 132 N -1.46 3.49 0.00 0.00 0.00 -1.26 -2.01 121.76 120.52 3vgc s ALA 132 Ca 0.68 1.46 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3vgc s ALA 132 Cb -0.33 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3vgc s ALA 132 CO 0.39 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.61 3vgc n GLY 133 N 0.57 2.56 3.75 0.00 0.00 -1.26 -5.04 105.19 105.77 3vgc n GLY 133 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3vgc n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3vgc s THR 134 N -2.56 2.71 -0.23 2.61 2.01 -0.85 -4.98 115.64 114.34 3vgc s THR 134 Ca 0.00 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 62.45 3vgc s THR 134 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 3vgc s THR 134 CO 0.00 0.11 0.47 -0.89 -0.69 0.00 0.00 174.62 173.62 3vgc s THR 135 N -0.30 5.13 0.21 -0.82 2.01 -1.26 -5.05 115.64 115.56 3vgc s THR 135 Ca 0.56 0.82 0.00 0.00 0.31 0.00 0.00 61.69 63.38 3vgc s THR 135 Cb -0.41 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.31 3vgc s THR 135 CO 0.46 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.56 3vgc s VAL 137 N -1.75 0.82 0.05 0.00 1.01 -1.26 -5.14 120.40 114.13 3vgc s VAL 137 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3vgc s VAL 137 Cb -0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3vgc s VAL 137 CO 0.00 0.06 -0.16 0.28 0.00 0.00 0.00 175.10 175.27 3vgc s THR 138 N -0.59 1.29 0.12 3.92 -1.32 -1.26 -5.16 115.64 112.65 3vgc s THR 138 Ca 0.01 -1.11 0.03 0.00 -1.21 0.00 0.00 61.69 59.41 3vgc s THR 138 Cb -0.06 -1.16 -0.04 0.00 -1.51 0.00 0.00 72.50 69.73 3vgc s THR 138 CO 0.00 0.03 -0.08 0.42 -2.21 0.00 0.00 174.62 172.78 3vgc s THR 139 N -0.89 0.94 0.00 5.08 -4.23 -1.26 -5.10 115.64 110.18 3vgc s THR 139 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3vgc s THR 139 Cb -0.08 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3vgc s THR 139 CO 0.02 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 3vgc n GLY 140 N -0.13 1.64 1.37 3.99 0.00 -1.26 -4.97 105.19 105.83 3vgc n GLY 140 Ca -0.11 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 3vgc n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3vgc n TRP 141 N -0.95 1.55 -1.33 1.61 8.01 -1.26 -4.69 117.44 120.38 3vgc n TRP 141 Ca 0.00 -1.27 -0.30 0.00 -1.31 0.00 0.00 57.50 54.62 3vgc n TRP 141 Cb 0.00 -0.52 0.20 0.00 -2.01 0.00 0.00 31.31 28.98 3vgc n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3vgc s GLY 142 N -1.85 1.61 0.24 6.99 0.00 -1.26 -4.87 107.32 108.17 3vgc s GLY 142 Ca 0.48 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 3vgc s GLY 142 CO 0.07 -0.07 1.28 1.04 0.00 0.00 0.00 173.10 175.43 3vgc n LEU 143 N -4.32 2.57 0.01 0.66 4.77 -1.26 -2.63 117.00 116.80 3vgc n LEU 143 Ca 0.11 1.15 0.11 0.00 -0.03 0.00 0.00 56.01 57.35 3vgc n LEU 143 Cb 0.59 -1.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.24 3vgc n LEU 143 CO 0.49 -0.82 -0.28 0.35 -1.33 0.00 0.00 177.39 175.80 3vgc n THR 144 N 1.41 0.09 -3.77 -5.08 -2.24 -1.26 -0.59 114.28 102.85 3vgc n THR 144 Ca 0.11 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3vgc n THR 144 Cb 0.30 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 3vgc n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3vgc s ARG 145 N -3.27 0.12 0.00 -0.78 0.52 -1.26 -4.01 118.95 110.27 3vgc s ARG 145 Ca 0.00 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3vgc s ARG 145 Cb 0.14 -0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.52 3vgc s ARG 145 CO 0.86 -0.12 0.52 0.98 0.02 0.00 0.00 175.30 177.55