#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gft n GLN -1 N 0.00 2.10 0.00 -4.13 6.02 -1.26 -5.07 117.38 115.04 3gft n GLN -1 Ca 0.00 -3.51 0.00 0.00 -0.01 0.00 0.00 57.00 53.48 3gft n GLN -1 Cb 0.00 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 29.50 3gft n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gft n GLY 0 N -0.97 1.12 3.75 1.08 0.00 -1.26 -5.04 105.19 103.87 3gft n GLY 0 Ca 0.25 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 3gft n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3gft s MET 1 N -1.66 3.24 0.22 1.61 0.23 -1.26 -4.94 119.30 116.75 3gft s MET 1 Ca 0.00 2.21 -0.30 0.00 -1.03 0.00 0.00 55.69 56.57 3gft s MET 1 Cb 0.00 -2.31 -0.09 0.00 -1.53 0.00 0.00 34.83 30.90 3gft s MET 1 CO 0.00 -1.10 1.33 0.99 -2.03 0.00 0.00 175.02 174.21 3gft s THR 2 N -1.31 3.09 -0.06 3.16 2.01 -1.26 -4.77 115.64 116.50 3gft s THR 2 Ca 0.70 0.91 -0.04 0.00 0.31 0.00 0.00 61.69 63.57 3gft s THR 2 Cb -0.40 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3gft s THR 2 CO 0.47 0.15 0.13 -0.70 -0.69 0.00 0.00 174.62 173.97 3gft s GLU 3 N -0.30 3.31 -0.09 4.92 2.12 -1.26 -0.77 118.70 126.63 3gft s GLU 3 Ca 0.56 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.63 3gft s GLU 3 Cb -0.37 -3.05 0.01 0.00 0.26 0.00 0.00 34.13 30.97 3gft s GLU 3 CO 0.40 0.72 -0.17 0.71 -0.54 0.00 0.00 175.26 176.37 3gft s TYR 4 N -1.13 2.02 -0.54 5.30 2.02 0.05 -4.95 117.35 120.12 3gft s TYR 4 Ca 0.20 -0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 55.84 3gft s TYR 4 Cb -0.12 -1.41 0.07 0.00 -0.40 0.00 0.00 41.96 40.09 3gft s TYR 4 CO 0.10 -0.40 0.69 0.15 -1.57 0.00 0.00 175.55 174.52 3gft s LYS 5 N 0.68 3.13 -0.13 -0.62 1.02 -1.26 -0.60 119.74 121.96 3gft s LYS 5 Ca -0.13 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 54.90 3gft s LYS 5 Cb -0.16 -4.13 -0.04 0.00 -0.52 0.00 0.00 37.83 32.98 3gft s LYS 5 CO 0.03 -1.35 0.09 -0.51 -0.92 0.00 0.00 175.35 172.70 3gft s LEU 6 N 2.86 4.09 -0.07 3.17 1.43 0.99 -1.15 118.68 129.99 3gft s LEU 6 Ca 0.16 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 3gft s LEU 6 Cb -0.19 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3gft s LEU 6 CO 0.11 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 176.19 3gft s VAL 7 N -0.63 1.37 -0.27 -1.59 1.01 -0.64 0.60 120.40 120.25 3gft s VAL 7 Ca 0.12 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3gft s VAL 7 Cb -0.12 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3gft s VAL 7 CO 0.02 0.41 0.09 -0.69 0.00 0.00 0.00 175.10 174.93 3gft s VAL 8 N 0.54 4.27 0.17 2.92 1.01 0.20 -1.01 120.40 128.50 3gft s VAL 8 Ca -0.15 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.55 3gft s VAL 8 Cb -0.16 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3gft s VAL 8 CO 0.05 0.22 -0.15 0.68 0.00 0.00 0.00 175.10 175.90 3gft s VAL 9 N 1.59 1.61 0.00 2.92 -7.23 -0.19 -3.09 120.40 115.99 3gft s VAL 9 Ca 0.05 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3gft s VAL 9 Cb -0.16 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3gft s VAL 9 CO 0.04 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 3gft n GLY 10 N 0.07 2.39 3.70 2.32 0.00 -1.26 -0.45 105.19 111.97 3gft n GLY 10 Ca -0.12 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 3gft n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gft s ALA 11 N -1.90 1.77 0.17 4.61 0.00 -1.26 -4.40 121.76 120.75 3gft s ALA 11 Ca 0.00 0.63 -0.33 0.00 0.00 0.00 0.00 51.96 52.25 3gft s ALA 11 Cb 0.00 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 3gft s ALA 11 CO 0.00 -2.37 1.56 0.41 0.00 0.00 0.00 175.76 175.36 3gft n GLY 12 N 0.04 1.08 1.63 0.00 0.00 -1.26 -2.83 105.19 103.86 3gft n GLY 12 Ca 0.12 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3gft n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gft n GLY 13 N 3.24 0.58 0.24 -0.02 0.00 -1.26 -4.93 105.19 103.04 3gft n GLY 13 Ca 0.16 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3gft n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gft h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.88 -3.47 116.25 110.99 3gft h VAL 14 Ca 0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3gft h VAL 14 Cb 0.00 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3gft h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3gft n GLY 15 N 0.64 1.98 0.13 5.19 0.00 -1.26 -4.54 105.19 107.32 3gft n GLY 15 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3gft n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gft h LYS 16 N 0.00 0.29 -0.08 1.61 1.57 -1.90 -0.40 116.57 117.66 3gft h LYS 16 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3gft h LYS 16 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gft h LYS 16 CO 0.00 0.20 -0.09 0.77 -0.57 0.00 0.00 179.45 179.75 3gft h SER 17 N 0.30 0.21 -0.52 0.86 0.02 -1.96 -2.59 113.55 109.87 3gft h SER 17 Ca 0.10 -0.51 0.10 0.00 -0.84 0.00 0.00 61.79 60.65 3gft h SER 17 Cb 0.00 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.40 3gft h SER 17 CO -0.05 0.68 0.04 0.00 -1.14 0.00 0.00 176.83 176.35 3gft h ALA 18 N 0.54 0.54 -0.90 3.77 0.00 -1.89 0.45 119.26 121.77 3gft h ALA 18 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gft h ALA 18 Cb 0.62 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3gft h ALA 18 CO 0.02 -0.36 0.55 -0.07 0.00 0.00 0.00 179.25 179.39 3gft h LEU 19 N 0.16 1.07 -0.11 0.00 3.38 -1.07 -0.34 115.31 118.40 3gft h LEU 19 Ca 0.27 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3gft h LEU 19 Cb 0.40 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3gft h LEU 19 CO -0.41 0.81 -0.34 0.74 0.09 0.00 0.00 178.44 179.34 3gft h THR 20 N 1.23 1.39 -0.05 0.22 2.02 -0.76 -1.86 112.91 115.10 3gft h THR 20 Ca 0.32 -1.66 -0.10 0.00 0.77 0.00 0.00 66.41 65.74 3gft h THR 20 Cb -0.07 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3gft h THR 20 CO -0.06 0.49 -0.45 0.40 0.37 0.00 0.00 175.52 176.27 3gft h ILE 21 N -0.02 1.33 -0.37 3.11 2.04 -0.06 -0.47 117.51 123.07 3gft h ILE 21 Ca -0.01 -1.59 -0.09 0.00 1.00 0.00 0.00 64.86 64.17 3gft h ILE 21 Cb 0.96 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3gft h ILE 21 CO 0.07 0.46 -0.14 -0.61 0.00 0.00 0.00 178.15 177.94 3gft h GLN 22 N 0.09 0.74 -0.29 2.37 5.75 -0.87 0.30 115.11 123.20 3gft h GLN 22 Ca 0.00 -0.31 -0.03 0.00 -0.15 0.00 0.00 58.65 58.17 3gft h GLN 22 Cb 0.84 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.34 3gft h GLN 22 CO 0.06 0.91 0.08 1.25 -2.65 0.00 0.00 178.83 178.49 3gft h LEU 23 N 0.54 0.44 0.03 -2.39 5.85 -0.91 -0.57 115.31 118.30 3gft h LEU 23 Ca 0.09 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3gft h LEU 23 Cb 0.67 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.59 3gft h LEU 23 CO 0.05 0.54 -0.30 0.40 -0.34 0.00 0.00 178.44 178.79 3gft h ILE 24 N 0.31 1.63 -0.00 4.05 1.08 -1.02 -3.39 117.51 120.17 3gft h ILE 24 Ca 0.09 -2.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 3gft h ILE 24 Cb 0.26 3.09 0.00 0.00 -3.07 0.00 0.00 36.82 37.10 3gft h ILE 24 CO -0.00 0.60 -0.41 0.00 -0.69 0.00 0.00 178.15 177.66 3gft n GLN 25 N -4.45 2.52 -2.36 2.37 6.02 0.11 -4.96 117.38 116.61 3gft n GLN 25 Ca -0.11 -0.35 -0.20 0.00 -0.01 0.00 0.00 57.00 56.33 3gft n GLN 25 Cb 0.57 -1.11 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 3gft n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3gft n ASN 26 N -0.74 -5.77 -4.20 1.08 5.15 -0.22 -4.97 115.26 105.60 3gft n ASN 26 Ca 0.04 -0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.72 3gft n ASN 26 Cb 0.22 -4.79 -0.16 0.00 -0.53 0.00 0.00 39.78 34.52 3gft n ASN 26 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3gft s HIS 27 N -3.00 2.19 -0.21 1.20 2.46 -1.24 -4.99 115.29 111.70 3gft s HIS 27 Ca 0.00 -0.70 -0.15 0.00 0.47 0.00 0.00 55.06 54.67 3gft s HIS 27 Cb 0.00 -1.46 -0.04 0.00 -0.13 0.00 0.00 32.58 30.95 3gft s HIS 27 CO 0.00 -0.24 0.37 0.12 -2.47 0.00 0.00 174.74 172.52 3gft s PHE 28 N 0.04 3.36 -0.31 3.88 5.36 -1.26 -2.77 117.98 126.28 3gft s PHE 28 Ca -0.07 0.57 -0.10 0.00 -0.96 0.00 0.00 56.93 56.37 3gft s PHE 28 Cb -0.14 -2.50 -0.01 0.00 -0.34 0.00 0.00 43.02 40.03 3gft s PHE 28 CO 0.04 -0.01 0.16 0.14 -1.46 0.00 0.00 175.22 174.09 3gft s VAL 29 N 1.31 4.68 -0.03 3.12 -7.23 -1.26 -4.94 120.40 116.05 3gft s VAL 29 Ca 0.18 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 3gft s VAL 29 Cb -0.15 -3.37 -0.27 0.00 0.56 0.00 0.00 36.38 33.16 3gft s VAL 29 CO 0.08 0.09 0.72 -0.78 -0.31 0.00 0.00 175.10 174.90 3gft h ASP 30 N 8.36 0.33 -3.63 4.85 3.58 -2.01 -3.46 116.42 124.43 3gft h ASP 30 Ca -0.33 -0.54 -0.57 0.00 0.42 0.00 0.00 57.03 56.01 3gft h ASP 30 Cb 1.15 -0.11 0.15 0.00 1.72 0.00 0.00 39.33 42.24 3gft h ASP 30 CO 0.61 1.47 0.30 -1.84 -2.88 0.00 0.00 179.24 176.90 3gft n GLU 31 N -3.39 1.27 -3.64 0.28 0.00 -1.26 -4.99 120.64 108.91 3gft n GLU 31 Ca -0.20 0.47 -0.39 0.00 0.00 0.00 0.00 57.16 57.05 3gft n GLU 31 Cb 1.05 -2.29 -0.09 0.00 0.00 0.00 0.00 31.44 30.10 3gft n GLU 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3gft s TYR 32 N -1.38 3.49 -0.47 -1.84 6.14 -1.26 -5.04 117.35 116.99 3gft s TYR 32 Ca 0.72 -2.20 -0.04 0.00 0.64 0.00 0.00 57.07 56.19 3gft s TYR 32 Cb -0.44 -3.38 0.12 0.00 0.42 0.00 0.00 41.96 38.68 3gft s TYR 32 CO 0.50 -0.96 0.29 -0.51 0.64 0.00 0.00 175.55 175.50 3gft s ASP 33 N 2.05 5.36 0.36 4.32 1.11 -1.26 -5.08 116.67 123.53 3gft s ASP 33 Ca 0.09 -2.18 -0.28 0.00 0.18 0.00 0.00 52.55 50.36 3gft s ASP 33 Cb -0.23 -1.87 -0.11 0.00 1.07 0.00 0.00 42.92 41.77 3gft s ASP 33 CO -0.03 -0.54 1.45 -2.65 1.18 0.00 0.00 175.17 174.58 3gft n PRO 34 N 4.43 2.54 -3.76 8.23 -0.02 -1.26 -4.95 135.00 140.22 3gft n PRO 34 Ca -0.01 0.89 -0.36 0.00 -2.02 0.00 0.00 63.50 62.00 3gft n PRO 34 Cb 0.41 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 3gft n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gft s THR 35 N -1.01 5.42 0.00 3.45 2.01 -1.26 -5.00 115.64 119.24 3gft s THR 35 Ca 0.55 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.80 3gft s THR 35 Cb -0.50 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.54 3gft s THR 35 CO 0.62 0.50 0.03 -0.38 -0.69 0.00 0.00 174.62 174.70 3gft n ILE 36 N 2.95 0.00 -3.51 1.82 5.41 -1.26 -3.71 119.36 121.05 3gft n ILE 36 Ca -0.17 0.41 -0.00 0.00 1.00 0.00 0.00 62.75 63.99 3gft n ILE 36 Cb 0.53 -1.18 -0.05 0.00 -0.71 0.00 0.00 39.64 38.23 3gft n ILE 36 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3gft s GLU 37 N -0.82 0.33 -0.04 0.38 -1.05 -1.26 -3.00 118.70 113.25 3gft s GLU 37 Ca 0.00 0.70 0.01 0.00 -0.15 0.00 0.00 54.97 55.53 3gft s GLU 37 Cb 0.00 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 34.00 3gft s GLU 37 CO 0.00 -0.09 -0.04 -0.51 0.95 0.00 0.00 175.26 175.57 3gft s ASP 38 N 1.97 0.76 -0.13 0.83 1.01 -0.91 -5.02 116.67 115.19 3gft s ASP 38 Ca -0.05 -0.10 -0.06 0.00 0.71 0.00 0.00 52.55 53.04 3gft s ASP 38 Cb -0.05 -0.35 -0.04 0.00 1.01 0.00 0.00 42.92 43.49 3gft s ASP 38 CO -0.16 -0.05 0.10 -0.94 0.21 0.00 0.00 175.17 174.33 3gft s SER 39 N 0.81 6.04 0.11 0.27 1.04 -1.26 -0.98 113.70 119.73 3gft s SER 39 Ca -0.10 0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.73 3gft s SER 39 Cb -0.13 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 3gft s SER 39 CO -0.00 0.36 -0.15 -0.31 0.98 0.00 0.00 173.24 174.11 3gft s TYR 40 N -0.73 1.43 0.01 5.02 1.51 0.00 -4.97 117.35 119.62 3gft s TYR 40 Ca 0.13 -0.50 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3gft s TYR 40 Cb -0.12 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 3gft s TYR 40 CO 0.03 0.14 -0.12 1.03 -1.11 0.00 0.00 175.55 175.51 3gft s ARG 41 N -2.28 0.92 -0.23 -0.62 0.52 -1.26 -0.86 118.95 115.14 3gft s ARG 41 Ca 0.06 -0.56 -0.12 0.00 -0.52 0.00 0.00 55.73 54.59 3gft s ARG 41 Cb -0.07 -0.90 0.08 0.00 0.52 0.00 0.00 34.95 34.58 3gft s ARG 41 CO 0.03 0.24 0.55 0.21 0.02 0.00 0.00 175.30 176.35 3gft s LYS 42 N -0.65 0.54 -0.04 3.54 2.20 -0.81 -5.00 119.74 119.52 3gft s LYS 42 Ca 0.03 1.06 -0.23 0.00 -0.36 0.00 0.00 55.97 56.46 3gft s LYS 42 Cb -0.06 0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 3gft s LYS 42 CO 0.00 -0.17 0.69 -1.14 -0.36 0.00 0.00 175.35 174.38 3gft s GLN 43 N 1.73 4.43 0.16 4.03 0.74 -1.26 -0.40 119.66 129.09 3gft s GLN 43 Ca -0.09 0.89 -0.01 0.00 0.05 0.00 0.00 55.36 56.20 3gft s GLN 43 Cb -0.07 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 3gft s GLN 43 CO -0.16 0.15 0.09 0.14 -0.55 0.00 0.00 175.29 174.95 3gft s VAL 44 N 0.51 0.06 -0.22 1.34 -7.23 0.42 -4.98 120.40 110.29 3gft s VAL 44 Ca 0.37 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 3gft s VAL 44 Cb -0.18 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.53 3gft s VAL 44 CO 0.19 -0.26 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.92 3gft s VAL 45 N -4.10 2.63 -0.17 1.32 1.01 -1.26 -0.03 120.40 119.80 3gft s VAL 45 Ca 0.31 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3gft s VAL 45 Cb 0.07 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.23 3gft s VAL 45 CO 0.06 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.74 3gft s ILE 46 N 1.32 1.63 -1.51 2.22 1.01 0.38 -4.70 121.20 121.56 3gft s ILE 46 Ca 0.02 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 3gft s ILE 46 Cb -0.15 -1.59 0.08 0.00 0.01 0.00 0.00 42.46 40.81 3gft s ILE 46 CO -0.07 0.36 0.92 0.47 0.00 0.00 0.00 174.94 176.62 3gft n ASP 47 N 4.73 -4.90 0.00 3.58 8.00 -1.26 -1.12 116.55 125.58 3gft n ASP 47 Ca -0.16 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.64 3gft n ASP 47 Cb 0.49 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.66 3gft n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gft n GLY 48 N -1.65 0.78 3.35 0.44 0.00 -1.26 -4.98 105.19 101.87 3gft n GLY 48 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3gft n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gft s GLU 49 N -0.06 3.40 0.12 1.61 2.56 -0.27 -5.09 118.70 120.96 3gft s GLU 49 Ca 0.00 -0.65 -0.27 0.00 0.00 0.00 0.00 54.97 54.05 3gft s GLU 49 Cb 0.00 -2.80 -0.07 0.00 2.00 0.00 0.00 34.13 33.26 3gft s GLU 49 CO 0.00 0.04 0.85 0.99 -0.56 0.00 0.00 175.26 176.58 3gft s THR 50 N 0.81 4.47 0.12 -1.70 2.01 -1.26 -0.47 115.64 119.63 3gft s THR 50 Ca -0.03 1.84 -0.13 0.00 0.31 0.00 0.00 61.69 63.67 3gft s THR 50 Cb -0.15 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.17 3gft s THR 50 CO 0.01 0.42 0.33 0.00 -0.69 0.00 0.00 174.62 174.68 3gft s LEU 52 N -2.85 3.93 -0.17 0.00 2.96 0.05 -0.44 118.68 122.16 3gft s LEU 52 Ca 0.06 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 53.78 3gft s LEU 52 Cb 0.03 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 3gft s LEU 52 CO -0.10 -0.01 0.45 -0.76 -1.32 0.00 0.00 176.35 174.62 3gft s LEU 53 N 1.50 4.20 -0.35 -0.68 1.43 0.46 -0.77 118.68 124.47 3gft s LEU 53 Ca 0.07 0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 53.80 3gft s LEU 53 Cb -0.15 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.52 3gft s LEU 53 CO 0.08 -0.07 0.10 -1.81 0.23 0.00 0.00 176.35 174.88 3gft s ASP 54 N 0.88 5.14 -0.23 2.29 1.11 0.23 -1.93 116.67 124.17 3gft s ASP 54 Ca 0.23 -1.51 -0.06 0.00 0.18 0.00 0.00 52.55 51.38 3gft s ASP 54 Cb -0.15 -1.80 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 3gft s ASP 54 CO 0.09 -0.38 0.03 -0.63 1.18 0.00 0.00 175.17 175.46 3gft s ILE 55 N 1.26 4.06 -0.33 0.77 1.01 -0.04 -0.01 121.20 127.91 3gft s ILE 55 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 3gft s ILE 55 Cb -0.21 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 3gft s ILE 55 CO -0.01 0.38 0.27 -0.22 0.00 0.00 0.00 174.94 175.36 3gft s LEU 56 N 1.42 4.45 -0.35 2.97 2.96 0.20 -0.82 118.68 129.51 3gft s LEU 56 Ca 0.05 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 53.52 3gft s LEU 56 Cb -0.15 -2.20 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 3gft s LEU 56 CO 0.02 -0.25 0.23 -0.62 -1.32 0.00 0.00 176.35 174.41 3gft s ASP 57 N 1.73 5.95 0.31 3.68 2.15 -0.15 -0.62 116.67 129.72 3gft s ASP 57 Ca 0.08 -0.58 0.06 0.00 0.43 0.00 0.00 52.55 52.54 3gft s ASP 57 Cb -0.17 -2.11 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 3gft s ASP 57 CO 0.11 -0.28 0.45 0.42 -0.17 0.00 0.00 175.17 175.70 3gft s THR 58 N 1.68 4.41 0.33 1.71 -4.23 -1.18 -2.13 115.64 116.23 3gft s THR 58 Ca 0.05 -0.97 -0.28 0.00 -1.18 0.00 0.00 61.69 59.31 3gft s THR 58 Cb -0.18 -3.54 -0.10 0.00 1.34 0.00 0.00 72.50 70.02 3gft s THR 58 CO 0.09 -0.22 1.21 0.00 -0.54 0.00 0.00 174.62 175.17 3gft s ALA 59 N -2.14 3.40 -0.94 3.99 0.00 -1.16 -4.82 121.76 120.09 3gft s ALA 59 Ca 0.42 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3gft s ALA 59 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.62 3gft s ALA 59 CO 0.31 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3gft n GLY 60 N 0.90 0.00 0.00 0.00 0.00 -1.26 -4.84 105.19 99.99 3gft n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gft n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gft n SER 65 N 0.05 0.00 -0.10 1.61 2.88 -1.26 -4.41 113.62 112.39 3gft n SER 65 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3gft n SER 65 Cb 0.00 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.69 3gft n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gft n ALA 66 N 0.68 3.57 0.08 -1.46 0.00 -1.26 -3.59 120.51 118.53 3gft n ALA 66 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 3gft n ALA 66 Cb 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 3gft n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gft h MET 67 N 0.49 0.33 0.13 0.00 -0.00 -2.05 -1.45 114.93 112.38 3gft h MET 67 Ca 0.00 -0.38 -0.01 0.00 -0.00 0.00 0.00 59.70 59.32 3gft h MET 67 Cb 0.52 0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 3gft h MET 67 CO 0.00 1.08 -0.06 0.00 -0.00 0.00 0.00 176.91 177.92 3gft h ARG 68 N 0.17 -0.17 -0.63 -0.10 2.47 -2.01 -2.13 114.38 112.00 3gft h ARG 68 Ca -0.08 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 3gft h ARG 68 Cb 1.61 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 29.93 3gft h ARG 68 CO 0.16 0.18 0.41 -0.44 0.56 0.00 0.00 179.97 180.84 3gft h ASP 69 N -0.54 0.59 0.62 7.04 5.19 -1.63 -2.18 116.42 125.51 3gft h ASP 69 Ca -0.02 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 3gft h ASP 69 Cb 0.43 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.81 3gft h ASP 69 CO 0.03 0.40 -0.30 1.56 -3.12 0.00 0.00 179.24 177.81 3gft h GLN 70 N 0.68 -0.80 0.00 3.56 7.50 -1.04 -1.68 115.11 123.34 3gft h GLN 70 Ca 0.26 0.05 -0.08 0.00 0.50 0.00 0.00 58.65 59.39 3gft h GLN 70 Cb 0.17 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 3gft h GLN 70 CO -0.08 -0.51 -0.36 0.10 -1.50 0.00 0.00 178.83 176.48 3gft h TYR 71 N -0.88 0.00 0.00 2.96 -0.00 -1.23 -2.15 116.97 115.67 3gft h TYR 71 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.60 3gft h TYR 71 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.38 3gft h TYR 71 CO -0.02 0.36 -0.20 0.52 -0.00 0.00 0.00 178.16 178.82 3gft h MET 72 N 0.00 0.00 -0.01 0.10 2.86 -1.28 -1.89 114.93 114.70 3gft h MET 72 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3gft h MET 72 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3gft h MET 72 CO 0.05 0.20 -0.12 -0.09 1.06 0.00 0.00 176.91 178.01 3gft h ARG 73 N 0.00 0.11 0.00 1.72 2.43 -0.63 -3.33 114.38 114.67 3gft h ARG 73 Ca -0.00 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 3gft h ARG 73 Cb 0.88 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 3gft h ARG 73 CO 0.03 0.80 -0.45 1.79 -1.51 0.00 0.00 179.97 180.63 3gft h THR 74 N -0.54 0.83 -3.83 0.20 1.35 -1.44 -3.46 112.91 106.02 3gft h THR 74 Ca -0.01 -1.95 -0.51 0.00 -0.55 0.00 0.00 66.41 63.38 3gft h THR 74 Cb 0.83 2.25 0.04 0.00 -1.73 0.00 0.00 68.15 69.54 3gft h THR 74 CO 0.03 0.44 0.57 -0.83 -0.25 0.00 0.00 175.52 175.47 3gft s GLY 75 N -4.42 3.01 -0.07 5.82 0.00 -0.72 -4.88 107.32 106.06 3gft s GLY 75 Ca 0.03 1.10 0.18 0.00 0.00 0.00 0.00 44.72 46.03 3gft s GLY 75 CO 0.72 1.74 0.31 1.18 0.00 0.00 0.00 173.10 177.05 3gft n GLU 76 N 1.03 0.73 -3.78 2.90 1.02 -0.30 -4.97 120.64 117.27 3gft n GLU 76 Ca -0.00 -0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 56.88 3gft n GLU 76 Cb 0.43 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 30.30 3gft n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gft s GLY 77 N -4.52 -0.13 -0.07 0.62 0.00 -1.09 -4.11 107.32 98.01 3gft s GLY 77 Ca -0.08 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3gft s GLY 77 CO 0.78 0.21 -0.10 -1.36 0.00 0.00 0.00 173.10 172.63 3gft s PHE 78 N -0.94 1.33 -0.25 1.90 0.08 -0.54 -1.62 117.98 117.94 3gft s PHE 78 Ca -0.10 -0.52 -0.18 0.00 0.12 0.00 0.00 56.93 56.25 3gft s PHE 78 Cb -0.05 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 3gft s PHE 78 CO 0.03 -0.31 0.50 -0.51 -0.10 0.00 0.00 175.22 174.82 3gft s LEU 79 N 0.95 4.06 -0.44 -0.37 1.43 -0.18 -1.42 118.68 122.71 3gft s LEU 79 Ca -0.10 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 3gft s LEU 79 Cb -0.15 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.50 3gft s LEU 79 CO 0.00 -0.26 0.32 0.00 0.23 0.00 0.00 176.35 176.64 3gft s VAL 81 N 1.54 4.49 0.33 0.00 1.01 0.41 -1.30 120.40 126.88 3gft s VAL 81 Ca 0.03 -0.14 0.09 0.00 0.00 0.00 0.00 61.98 61.97 3gft s VAL 81 Cb -0.23 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 3gft s VAL 81 CO 0.05 0.48 -0.10 0.72 0.00 0.00 0.00 175.10 176.25 3gft s PHE 82 N 0.32 2.34 -0.15 5.22 -0.12 -0.14 -3.99 117.98 121.46 3gft s PHE 82 Ca 0.01 -0.52 -0.04 0.00 -0.05 0.00 0.00 56.93 56.33 3gft s PHE 82 Cb -0.13 -1.33 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 3gft s PHE 82 CO 0.01 0.55 -0.01 0.00 -0.05 0.00 0.00 175.22 175.72 3gft s ALA 83 N -2.66 3.13 -1.44 1.99 0.00 -1.26 -0.25 121.76 121.27 3gft s ALA 83 Ca 0.32 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.58 3gft s ALA 83 Cb 0.02 -1.62 0.50 0.00 0.00 0.00 0.00 23.12 22.02 3gft s ALA 83 CO 0.16 0.27 1.19 0.44 0.00 0.00 0.00 175.76 177.82 3gft n ILE 84 N 3.29 0.76 -0.61 0.00 -5.35 -0.41 -0.70 119.36 116.33 3gft n ILE 84 Ca -0.17 0.19 0.07 0.00 -0.27 0.00 0.00 62.75 62.56 3gft n ILE 84 Cb 0.53 -1.03 0.16 0.00 -1.74 0.00 0.00 39.64 37.55 3gft n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gft n ASN 85 N -1.28 2.94 -3.56 7.28 6.94 -1.26 -0.94 115.26 125.39 3gft n ASN 85 Ca 0.05 -2.58 -0.29 0.00 -0.02 0.00 0.00 54.58 51.73 3gft n ASN 85 Cb 0.08 -0.34 -0.14 0.00 -2.36 0.00 0.00 39.78 37.02 3gft n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3gft s ASN 86 N -1.73 3.52 0.31 0.53 3.84 0.12 -4.73 114.94 116.79 3gft s ASN 86 Ca 0.27 -1.54 0.03 0.00 0.21 0.00 0.00 52.86 51.83 3gft s ASN 86 Cb 0.21 -0.45 0.50 0.00 -0.55 0.00 0.00 41.25 40.95 3gft s ASN 86 CO 0.08 -0.41 1.81 0.74 -2.79 0.00 0.00 177.10 176.52 3gft h THR 87 N 6.14 1.23 -0.52 -5.21 2.02 -1.90 -2.80 112.91 111.87 3gft h THR 87 Ca -0.14 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 3gft h THR 87 Cb 1.00 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3gft h THR 87 CO 0.41 0.33 0.18 0.11 0.37 0.00 0.00 175.52 176.92 3gft h LYS 88 N 0.50 0.79 -0.06 6.66 1.57 -1.94 -1.12 116.57 122.98 3gft h LYS 88 Ca 0.10 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3gft h LYS 88 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3gft h LYS 88 CO 0.03 0.72 -0.10 0.66 -0.57 0.00 0.00 179.45 180.19 3gft h SER 89 N 0.71 0.08 0.15 0.86 4.64 -1.83 0.48 113.55 118.63 3gft h SER 89 Ca 0.17 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.26 3gft h SER 89 Cb 0.24 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3gft h SER 89 CO -0.01 0.19 -0.87 0.15 -0.87 0.00 0.00 176.83 175.42 3gft h PHE 90 N 0.09 0.78 0.00 4.77 3.57 -1.19 -3.08 116.94 121.87 3gft h PHE 90 Ca 0.02 -0.39 -0.09 0.00 3.53 0.00 0.00 57.97 61.04 3gft h PHE 90 Cb 0.23 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3gft h PHE 90 CO 0.00 1.20 -0.42 0.93 -2.23 0.00 0.00 178.31 177.79 3gft h GLU 91 N 0.34 0.00 0.00 1.11 5.08 -0.42 -2.83 114.58 117.87 3gft h GLU 91 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3gft h GLU 91 Cb 1.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 3gft h GLU 91 CO 0.16 0.42 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.99 3gft h ASP 92 N 0.00 0.00 -0.56 1.42 5.19 -0.84 -3.32 116.42 118.31 3gft h ASP 92 Ca -0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 3gft h ASP 92 Cb 0.84 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.28 3gft h ASP 92 CO 0.05 0.16 0.20 0.40 -3.12 0.00 0.00 179.24 176.94 3gft h ILE 93 N 0.00 0.80 -0.47 0.35 1.08 -1.50 -0.65 117.51 117.12 3gft h ILE 93 Ca -0.00 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 3gft h ILE 93 Cb 0.30 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3gft h ILE 93 CO 0.02 0.07 0.31 -0.74 -0.69 0.00 0.00 178.15 177.12 3gft h HIS 94 N 0.38 0.54 -0.07 1.37 2.76 -1.77 -0.54 115.15 117.82 3gft h HIS 94 Ca 0.27 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.25 3gft h HIS 94 Cb 0.32 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3gft h HIS 94 CO -0.17 0.33 -0.80 0.45 -1.30 0.00 0.00 177.93 176.44 3gft h HIS 95 N 0.57 0.68 -0.45 5.26 3.86 -1.36 -2.20 115.15 121.52 3gft h HIS 95 Ca 0.18 -0.32 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 3gft h HIS 95 Cb 0.03 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3gft h HIS 95 CO -0.00 1.11 0.13 1.88 0.86 0.00 0.00 177.93 181.91 3gft h TYR 96 N 0.32 0.74 -0.77 2.45 0.05 -0.50 -0.20 116.97 119.06 3gft h TYR 96 Ca -0.05 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.60 3gft h TYR 96 Cb 1.41 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.90 3gft h TYR 96 CO 0.06 0.67 0.29 -0.09 -1.05 0.00 0.00 178.16 178.04 3gft h ARG 97 N 0.59 1.15 -0.38 4.88 2.43 -1.13 -0.79 114.38 121.13 3gft h ARG 97 Ca 0.14 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3gft h ARG 97 Cb 0.29 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3gft h ARG 97 CO -0.00 0.95 -0.14 0.93 -1.51 0.00 0.00 179.97 180.19 3gft h GLU 98 N 1.12 0.68 -0.21 0.20 4.39 -1.17 -0.81 114.58 118.78 3gft h GLU 98 Ca 0.25 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 3gft h GLU 98 Cb 0.23 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 3gft h GLU 98 CO -0.02 0.80 -0.42 0.37 -1.16 0.00 0.00 179.01 178.58 3gft h GLN 99 N 0.62 0.49 -0.08 2.33 4.15 -0.60 -0.12 115.11 121.90 3gft h GLN 99 Ca 0.10 -0.25 -0.07 0.00 0.77 0.00 0.00 58.65 59.21 3gft h GLN 99 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 3gft h GLN 99 CO 0.04 0.82 -0.21 0.82 -1.93 0.00 0.00 178.83 178.38 3gft h ILE 100 N 0.41 1.42 -0.49 2.39 2.04 -0.88 -2.28 117.51 120.12 3gft h ILE 100 Ca 0.03 -1.55 0.02 0.00 1.00 0.00 0.00 64.86 64.36 3gft h ILE 100 Cb 0.90 2.23 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 3gft h ILE 100 CO 0.08 0.44 0.32 0.11 0.00 0.00 0.00 178.15 179.10 3gft h LYS 101 N -0.21 0.58 -0.11 2.37 1.57 -1.02 -0.83 116.57 118.93 3gft h LYS 101 Ca -0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 3gft h LYS 101 Cb 0.82 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.00 3gft h LYS 101 CO 0.04 0.38 -0.51 -0.09 -0.57 0.00 0.00 179.45 178.71 3gft h ARG 102 N 0.60 0.54 0.00 3.15 2.43 -0.96 -0.42 114.38 119.72 3gft h ARG 102 Ca 0.19 -0.43 -0.19 0.00 -0.81 0.00 0.00 59.98 58.74 3gft h ARG 102 Cb 0.02 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3gft h ARG 102 CO -0.05 1.06 -0.96 -0.39 -1.51 0.00 0.00 179.97 178.12 3gft h VAL 103 N 0.15 1.39 0.00 0.20 -1.51 -1.18 -2.87 116.25 112.43 3gft h VAL 103 Ca -0.03 -3.02 -0.03 0.00 -1.23 0.00 0.00 66.70 62.39 3gft h VAL 103 Cb 1.15 2.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.98 3gft h VAL 103 CO 0.11 0.79 -0.34 0.11 -1.23 0.00 0.00 177.57 177.00 3gft h LYS 104 N 0.00 0.00 -5.91 5.19 1.79 -1.23 -3.44 116.57 112.96 3gft h LYS 104 Ca -0.04 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.03 3gft h LYS 104 Cb 1.69 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 32.45 3gft h LYS 104 CO 0.11 0.10 -0.74 -3.47 -1.08 0.00 0.00 179.45 174.37 3gft n ASP 105 N -3.03 -4.34 -3.94 0.86 2.03 -0.43 -4.98 116.55 102.73 3gft n ASP 105 Ca 0.02 -0.64 -0.10 0.00 0.52 0.00 0.00 54.79 54.59 3gft n ASP 105 Cb 0.59 -4.73 -0.11 0.00 -0.72 0.00 0.00 41.12 36.15 3gft n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3gft s SER 106 N -3.72 0.16 0.11 1.67 0.15 -0.30 -5.02 113.70 106.75 3gft s SER 106 Ca 0.38 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.90 3gft s SER 106 Cb -0.17 0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 64.18 3gft s SER 106 CO 0.76 -0.26 0.91 -0.62 1.20 0.00 0.00 173.24 175.24 3gft n GLU 107 N 1.85 0.54 -3.67 5.44 -0.58 -1.26 -4.48 120.64 118.49 3gft n GLU 107 Ca -0.22 0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.26 3gft n GLU 107 Cb 0.56 -1.70 -0.12 0.00 -0.57 0.00 0.00 31.44 29.61 3gft n GLU 107 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3gft s ASP 108 N -4.83 3.37 -0.17 1.62 2.15 -1.26 -5.08 116.67 112.46 3gft s ASP 108 Ca -0.01 -2.91 -0.02 0.00 0.43 0.00 0.00 52.55 50.04 3gft s ASP 108 Cb 0.12 -0.98 -0.01 0.00 -0.30 0.00 0.00 42.92 41.75 3gft s ASP 108 CO 0.82 -0.22 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.81 3gft s VAL 109 N 0.01 3.11 0.13 1.11 1.01 -1.26 -5.08 120.40 119.42 3gft s VAL 109 Ca 0.22 -0.61 -0.33 0.00 0.00 0.00 0.00 61.98 61.26 3gft s VAL 109 Cb -0.15 -2.35 -0.13 0.00 0.00 0.00 0.00 36.38 33.75 3gft s VAL 109 CO -0.07 0.49 1.70 -2.65 0.00 0.00 0.00 175.10 174.57 3gft n PRO 110 N 4.08 2.39 -3.80 2.72 -0.02 -1.26 -4.95 135.00 134.16 3gft n PRO 110 Ca -0.18 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3gft n PRO 110 Cb 0.52 -2.68 -0.09 0.00 -0.02 0.00 0.00 33.50 31.22 3gft n PRO 110 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gft s MET 111 N 1.78 0.63 -0.03 -0.52 -1.94 -1.26 -1.46 119.30 116.49 3gft s MET 111 Ca 0.81 -0.34 0.01 0.00 -1.71 0.00 0.00 55.69 54.47 3gft s MET 111 Cb -0.61 0.27 0.01 0.00 2.01 0.00 0.00 34.83 36.51 3gft s MET 111 CO 0.39 -0.17 -0.05 0.08 -0.01 0.00 0.00 175.02 175.26 3gft s VAL 112 N -1.60 0.49 -0.14 -6.03 1.01 -0.51 -4.30 120.40 109.33 3gft s VAL 112 Ca -0.12 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 3gft s VAL 112 Cb -0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3gft s VAL 112 CO 0.02 0.19 0.74 -0.22 0.00 0.00 0.00 175.10 175.83 3gft s LEU 113 N 0.52 4.22 -0.21 3.92 2.96 0.38 -0.55 118.68 129.91 3gft s LEU 113 Ca -0.06 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3gft s LEU 113 Cb -0.10 -3.11 0.04 0.00 0.50 0.00 0.00 46.19 43.52 3gft s LEU 113 CO -0.00 -0.27 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.95 3gft s VAL 114 N 1.61 1.80 -0.52 1.68 1.01 -0.42 -0.57 120.40 124.99 3gft s VAL 114 Ca 0.36 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 3gft s VAL 114 Cb -0.17 -1.85 0.11 0.00 0.00 0.00 0.00 36.38 34.47 3gft s VAL 114 CO 0.14 0.17 0.48 -0.83 0.00 0.00 0.00 175.10 175.06 3gft s GLY 115 N 1.32 2.06 0.43 4.51 0.00 -0.37 -0.97 107.32 114.30 3gft s GLY 115 Ca -0.02 -2.38 0.01 0.00 0.00 0.00 0.00 44.72 42.33 3gft s GLY 115 CO -0.08 1.18 0.64 0.21 0.00 0.00 0.00 173.10 175.04 3gft s ASN 116 N 3.27 5.85 -0.31 1.64 2.47 0.66 -0.78 114.94 127.75 3gft s ASN 116 Ca 0.04 0.21 -0.00 0.00 0.42 0.00 0.00 52.86 53.53 3gft s ASN 116 Cb -0.28 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 38.04 3gft s ASN 116 CO 0.04 -0.66 0.01 0.29 -3.72 0.00 0.00 177.10 173.06 3gft n LYS 117 N -2.01 -0.34 0.00 0.43 5.02 -0.34 -1.29 118.16 119.62 3gft n LYS 117 Ca 0.01 0.17 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 3gft n LYS 117 Cb 0.58 -3.84 0.27 0.00 -0.02 0.00 0.00 35.03 32.02 3gft n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gft n ASP 119 N -1.06 0.54 -4.87 0.00 5.75 -1.26 -4.93 116.55 110.72 3gft n ASP 119 Ca 0.06 -0.03 -0.31 0.00 -0.01 0.00 0.00 54.79 54.51 3gft n ASP 119 Cb 0.04 0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.24 3gft n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gft s LEU 120 N -3.53 3.97 0.00 -2.12 1.43 -0.60 -5.09 118.68 112.74 3gft s LEU 120 Ca 0.09 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.29 3gft s LEU 120 Cb 0.16 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.46 3gft s LEU 120 CO 0.69 -0.28 0.22 -0.81 0.23 0.00 0.00 176.35 176.40 3gft n PRO 121 N -0.82 -0.21 -3.24 1.29 -0.04 -1.26 -4.54 135.00 126.18 3gft n PRO 121 Ca 0.02 -0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 62.91 3gft n PRO 121 Cb 0.53 -0.22 0.05 0.00 -0.04 0.00 0.00 33.50 33.82 3gft n PRO 121 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gft n SER 122 N -3.14 -6.14 -4.66 3.54 7.64 -1.26 -4.93 113.62 104.67 3gft n SER 122 Ca 0.03 -0.39 -0.46 0.00 1.01 0.00 0.00 58.87 59.06 3gft n SER 122 Cb 0.09 -4.91 -0.04 0.00 -1.01 0.00 0.00 64.21 58.34 3gft n SER 122 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gft n ARG 123 N -4.37 2.09 -0.00 1.43 0.63 -1.26 -4.55 116.66 110.62 3gft n ARG 123 Ca -0.07 0.75 0.04 0.00 -0.92 0.00 0.00 57.85 57.66 3gft n ARG 123 Cb 0.60 -2.52 -0.05 0.00 0.45 0.00 0.00 32.46 30.94 3gft n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3gft n THR 124 N 3.41 0.00 -3.96 5.15 -2.24 -0.11 -4.96 114.28 111.58 3gft n THR 124 Ca 0.17 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.35 3gft n THR 124 Cb 0.28 0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 3gft n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gft s VAL 125 N -2.12 2.96 0.34 2.28 1.01 -0.78 -4.91 120.40 119.19 3gft s VAL 125 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 3gft s VAL 125 Cb 0.06 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 3gft s VAL 125 CO 0.33 0.31 1.13 -1.81 0.00 0.00 0.00 175.10 175.06 3gft s ASP 126 N 1.38 6.90 0.27 3.32 1.11 -1.26 -4.92 116.67 123.46 3gft s ASP 126 Ca 0.03 2.29 0.00 0.00 0.18 0.00 0.00 52.55 55.05 3gft s ASP 126 Cb -0.15 -2.62 0.54 0.00 1.07 0.00 0.00 42.92 41.76 3gft s ASP 126 CO -0.05 -0.41 1.81 0.74 1.18 0.00 0.00 175.17 178.45 3gft h THR 127 N 2.68 0.87 -0.44 -1.27 2.02 -1.99 -2.07 112.91 112.71 3gft h THR 127 Ca -0.48 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 3gft h THR 127 Cb 1.22 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3gft h THR 127 CO 0.65 0.16 0.06 0.50 0.37 0.00 0.00 175.52 177.26 3gft h LYS 128 N 0.88 0.67 -0.12 6.66 3.64 -1.99 0.14 116.57 126.46 3gft h LYS 128 Ca 0.48 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3gft h LYS 128 Cb 0.53 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3gft h LYS 128 CO -0.29 0.65 0.06 1.96 -2.27 0.00 0.00 179.45 179.56 3gft h GLN 129 N 0.65 0.16 -0.63 1.90 4.20 -1.77 -0.81 115.11 118.80 3gft h GLN 129 Ca 0.14 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3gft h GLN 129 Cb 0.31 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3gft h GLN 129 CO 0.00 0.19 0.15 0.00 -0.67 0.00 0.00 178.83 178.51 3gft h ALA 130 N 0.96 0.84 -0.68 3.87 0.00 -1.02 -1.63 119.26 121.58 3gft h ALA 130 Ca 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3gft h ALA 130 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3gft h ALA 130 CO -0.01 0.55 0.29 1.96 0.00 0.00 0.00 179.25 182.05 3gft h GLN 131 N 0.94 1.01 -0.51 0.00 4.20 -0.61 -0.96 115.11 119.18 3gft h GLN 131 Ca 0.20 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3gft h GLN 131 Cb 0.36 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3gft h GLN 131 CO 0.00 0.83 -0.10 -0.44 -0.67 0.00 0.00 178.83 178.45 3gft h ASP 132 N 0.97 0.93 -0.02 1.46 3.32 -0.91 -0.55 116.42 121.62 3gft h ASP 132 Ca 0.23 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3gft h ASP 132 Cb 0.18 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3gft h ASP 132 CO -0.02 1.05 -0.00 0.25 -1.72 0.00 0.00 179.24 178.79 3gft h LEU 133 N 0.84 0.04 -0.45 1.55 5.85 -1.06 -0.50 115.31 121.57 3gft h LEU 133 Ca 0.14 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.55 3gft h LEU 133 Cb 0.64 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3gft h LEU 133 CO 0.04 0.39 0.19 0.00 -0.34 0.00 0.00 178.44 178.71 3gft h ALA 134 N 0.65 0.55 -0.80 1.25 0.00 -1.06 -1.79 119.26 118.07 3gft h ALA 134 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gft h ALA 134 Cb 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3gft h ALA 134 CO 0.00 -0.19 0.52 -0.09 0.00 0.00 0.00 179.25 179.49 3gft h ARG 135 N 0.38 1.01 0.00 0.00 2.43 -1.10 0.23 114.38 117.32 3gft h ARG 135 Ca 0.21 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3gft h ARG 135 Cb 0.17 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3gft h ARG 135 CO -0.19 0.67 -0.10 0.66 -1.51 0.00 0.00 179.97 179.50 3gft h SER 136 N 1.04 0.00 0.68 -3.80 4.64 -0.28 -2.34 113.55 113.50 3gft h SER 136 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3gft h SER 136 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3gft h SER 136 CO -0.09 0.10 -1.16 -1.22 -0.87 0.00 0.00 176.83 173.59 3gft n TYR 137 N -4.09 0.61 -2.13 4.77 4.01 -0.49 -4.96 117.16 114.88 3gft n TYR 137 Ca -0.02 0.18 -0.04 0.00 -0.16 0.00 0.00 57.90 57.86 3gft n TYR 137 Cb 0.18 -0.74 -0.00 0.00 -0.31 0.00 0.00 39.34 38.47 3gft n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gft n GLY 138 N 1.25 0.26 3.37 2.72 0.00 0.62 -5.06 105.19 108.35 3gft n GLY 138 Ca -0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3gft n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gft s ILE 139 N -2.26 1.95 0.51 -0.61 -4.36 -0.20 -5.00 121.20 111.24 3gft s ILE 139 Ca 0.01 -2.12 -0.20 0.00 -0.26 0.00 0.00 60.65 58.08 3gft s ILE 139 Cb -0.00 -2.02 -0.07 0.00 1.25 0.00 0.00 42.46 41.62 3gft s ILE 139 CO 0.01 -0.41 1.08 -2.84 0.24 0.00 0.00 174.94 173.02 3gft s PRO 140 N -3.21 3.59 -0.10 0.37 0.02 -1.26 -4.07 135.00 130.33 3gft s PRO 140 Ca 0.21 1.48 0.04 0.00 0.02 0.00 0.00 61.00 62.75 3gft s PRO 140 Cb -0.04 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 3gft s PRO 140 CO 0.08 -0.63 -0.23 0.12 -0.33 0.00 0.00 177.00 176.02 3gft s PHE 141 N -1.88 2.58 -0.04 6.54 5.36 -1.26 -0.47 117.98 128.81 3gft s PHE 141 Ca 0.70 -0.99 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 3gft s PHE 141 Cb -0.20 -1.72 0.02 0.00 -0.34 0.00 0.00 43.02 40.78 3gft s PHE 141 CO 0.23 -0.39 -0.06 0.42 -1.46 0.00 0.00 175.22 173.96 3gft s ILE 142 N 0.32 0.65 -0.05 3.12 -1.09 0.27 -4.99 121.20 119.43 3gft s ILE 142 Ca -0.17 -0.22 -0.20 0.00 -2.23 0.00 0.00 60.65 57.82 3gft s ILE 142 Cb -0.18 -0.63 -0.05 0.00 -1.58 0.00 0.00 42.46 40.02 3gft s ILE 142 CO 0.08 0.24 0.58 -0.70 -1.23 0.00 0.00 174.94 173.91 3gft s GLU 143 N 0.66 4.34 0.07 2.79 2.12 -1.26 -1.23 118.70 126.18 3gft s GLU 143 Ca -0.10 0.68 0.02 0.00 0.36 0.00 0.00 54.97 55.93 3gft s GLU 143 Cb -0.13 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 3gft s GLU 143 CO 0.01 0.26 -0.07 0.95 -0.54 0.00 0.00 175.26 175.86 3gft s THR 144 N 0.20 0.63 -0.09 -1.70 -4.23 0.04 -4.14 115.64 106.36 3gft s THR 144 Ca 0.31 -1.51 -0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3gft s THR 144 Cb -0.17 -1.16 0.03 0.00 1.34 0.00 0.00 72.50 72.54 3gft s THR 144 CO 0.15 -0.63 -0.00 -0.55 -0.54 0.00 0.00 174.62 173.06 3gft s SER 145 N -2.32 1.80 0.29 3.99 0.15 0.16 -1.20 113.70 116.56 3gft s SER 145 Ca 0.01 -0.19 0.22 0.00 0.70 0.00 0.00 55.95 56.69 3gft s SER 145 Cb -0.02 -0.50 1.06 0.00 -1.71 0.00 0.00 66.02 64.85 3gft s SER 145 CO -0.02 -0.20 1.68 0.00 1.20 0.00 0.00 173.24 175.90 3gft n ALA 146 N 5.12 1.36 -0.10 5.45 0.00 -1.26 -0.12 120.51 130.95 3gft n ALA 146 Ca -0.08 0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 3gft n ALA 146 Cb 0.50 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 3gft n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gft n LYS 147 N -2.24 0.53 0.10 0.00 4.81 -1.26 -4.34 118.16 115.75 3gft n LYS 147 Ca 0.00 0.48 0.12 0.00 -0.87 0.00 0.00 58.31 58.04 3gft n LYS 147 Cb 0.13 -1.66 0.27 0.00 0.02 0.00 0.00 35.03 33.79 3gft n LYS 147 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3gft h THR 148 N -1.00 0.00 0.00 3.15 1.35 -1.99 -3.48 112.91 110.94 3gft h THR 148 Ca -0.28 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3gft h THR 148 Cb 1.11 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3gft h THR 148 CO -0.17 0.00 0.00 -1.14 -0.25 0.00 0.00 175.52 173.96 3gft n ARG 149 N -2.29 0.00 -1.66 4.72 0.63 0.82 -4.99 116.66 113.89 3gft n ARG 149 Ca 0.04 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.46 3gft n ARG 149 Cb 0.45 -2.09 -0.06 0.00 0.45 0.00 0.00 32.46 31.21 3gft n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3gft n GLN 150 N -2.00 1.64 -0.94 -0.14 7.27 -1.19 -2.55 117.38 119.46 3gft n GLN 150 Ca 0.00 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.67 3gft n GLN 150 Cb 0.00 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.32 3gft n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gft n GLY 151 N 3.66 0.90 0.19 1.69 0.00 -1.26 -0.67 105.19 109.70 3gft n GLY 151 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 3gft n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gft h VAL 152 N 0.00 0.66 -0.63 1.61 2.07 -1.80 0.24 116.25 118.40 3gft h VAL 152 Ca 0.00 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3gft h VAL 152 Cb 0.00 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3gft h VAL 152 CO 0.00 0.14 0.26 0.44 0.02 0.00 0.00 177.57 178.43 3gft h ASP 153 N -0.85 0.87 -0.72 0.57 3.32 -1.91 -2.55 116.42 115.15 3gft h ASP 153 Ca -0.04 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 56.86 3gft h ASP 153 Cb 0.51 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3gft h ASP 153 CO 0.06 0.79 0.48 -0.78 -1.72 0.00 0.00 179.24 178.07 3gft h ASP 154 N 0.89 0.80 0.34 6.45 3.58 -1.90 0.31 116.42 126.88 3gft h ASP 154 Ca 0.21 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 3gft h ASP 154 Cb 0.19 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3gft h ASP 154 CO -0.02 0.57 -0.16 0.00 -2.88 0.00 0.00 179.24 176.75 3gft h ALA 155 N 1.56 -0.45 -0.43 -0.78 0.00 -0.10 -1.22 119.26 117.84 3gft h ALA 155 Ca 0.27 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3gft h ALA 155 Cb -0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gft h ALA 155 CO -0.07 -0.69 -0.26 0.74 0.00 0.00 0.00 179.25 178.98 3gft h PHE 156 N -0.58 1.03 -0.29 0.00 0.04 -1.28 -2.60 116.94 113.26 3gft h PHE 156 Ca -0.05 -0.26 -0.13 0.00 2.80 0.00 0.00 57.97 60.34 3gft h PHE 156 Cb 0.43 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3gft h PHE 156 CO -0.02 1.05 -0.35 1.88 -0.60 0.00 0.00 178.31 180.27 3gft h TYR 157 N 0.77 0.74 -0.20 -0.55 -1.99 -0.42 -2.21 116.97 113.11 3gft h TYR 157 Ca 0.09 -0.20 -0.13 0.00 2.00 0.00 0.00 58.73 60.50 3gft h TYR 157 Cb 0.81 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 3gft h TYR 157 CO 0.05 0.89 -0.41 1.15 -0.00 0.00 0.00 178.16 179.84 3gft h THR 158 N 0.53 1.30 -0.50 -2.88 2.02 -1.21 -1.55 112.91 110.62 3gft h THR 158 Ca 0.06 -1.56 -0.09 0.00 0.77 0.00 0.00 66.41 65.58 3gft h THR 158 Cb 0.85 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3gft h THR 158 CO 0.07 0.49 -0.05 0.25 0.37 0.00 0.00 175.52 176.65 3gft h LEU 159 N 0.39 0.91 -0.61 2.58 5.85 -1.18 -0.47 115.31 122.78 3gft h LEU 159 Ca 0.03 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 3gft h LEU 159 Cb 0.88 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3gft h LEU 159 CO 0.07 1.03 0.25 0.58 -0.34 0.00 0.00 178.44 180.03 3gft h VAL 160 N 0.78 1.23 -0.57 1.05 2.07 -1.19 -1.68 116.25 117.94 3gft h VAL 160 Ca 0.14 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3gft h VAL 160 Cb 0.59 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3gft h VAL 160 CO 0.04 0.28 0.32 0.03 0.02 0.00 0.00 177.57 178.26 3gft h ARG 161 N 0.85 0.78 -0.30 1.57 3.08 -0.92 -0.49 114.38 118.94 3gft h ARG 161 Ca 0.20 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 3gft h ARG 161 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3gft h ARG 161 CO -0.02 0.57 -0.33 0.93 -1.07 0.00 0.00 179.97 180.05 3gft h GLU 162 N 0.79 0.66 -0.35 0.04 4.39 -0.67 -1.87 114.58 117.57 3gft h GLU 162 Ca 0.20 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3gft h GLU 162 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3gft h GLU 162 CO -0.03 0.91 -0.06 0.82 -1.16 0.00 0.00 179.01 179.48 3gft h ILE 163 N 0.56 1.27 -0.80 3.13 2.04 -0.43 -1.82 117.51 121.46 3gft h ILE 163 Ca 0.06 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3gft h ILE 163 Cb 0.84 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3gft h ILE 163 CO 0.07 0.36 0.47 0.03 0.00 0.00 0.00 178.15 179.09 3gft h ARG 164 N 0.46 1.10 -0.48 2.37 3.08 -0.91 -1.33 114.38 118.66 3gft h ARG 164 Ca 0.09 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3gft h ARG 164 Cb 0.56 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3gft h ARG 164 CO 0.03 0.79 -0.05 0.87 -1.07 0.00 0.00 179.97 180.54 3gft h LYS 165 N 1.10 0.83 -0.60 0.04 1.57 -1.20 -2.74 116.57 115.57 3gft h LYS 165 Ca 0.29 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3gft h LYS 165 Cb -0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3gft h LYS 165 CO -0.05 0.87 0.35 1.25 -0.57 0.00 0.00 179.45 181.29 3gft h HIS 166 N 0.76 0.79 -0.02 -1.35 2.76 -0.39 -3.52 115.15 114.19 3gft h HIS 166 Ca 0.14 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3gft h HIS 166 Cb 0.53 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3gft h HIS 166 CO 0.03 0.54 0.00 0.36 -1.30 0.00 0.00 177.93 177.56