#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fiq s LEU 5 N 0.00 3.14 0.57 -4.53 1.43 -1.22 -5.08 118.68 112.99 3fiq s LEU 5 Ca 0.00 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 3fiq s LEU 5 Cb 0.00 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 3fiq s LEU 5 CO 0.00 0.16 1.01 -1.81 0.23 0.00 0.00 176.35 175.94 3fiq s ASP 6 N 0.41 6.33 0.08 2.29 1.01 -1.26 -4.47 116.67 121.06 3fiq s ASP 6 Ca -0.05 1.54 0.08 0.00 0.71 0.00 0.00 52.55 54.83 3fiq s ASP 6 Cb -0.15 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3fiq s ASP 6 CO 0.03 -0.79 -0.20 0.27 0.21 0.00 0.00 175.17 174.69 3fiq s ILE 7 N -2.83 1.66 0.26 0.77 -4.36 -1.26 -5.10 121.20 110.34 3fiq s ILE 7 Ca 0.58 -1.40 0.08 0.00 -0.26 0.00 0.00 60.65 59.65 3fiq s ILE 7 Cb -0.11 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 3fiq s ILE 7 CO 0.41 0.03 0.08 -0.94 0.24 0.00 0.00 174.94 174.76 3fiq s SER 8 N -1.63 4.97 0.23 4.36 1.04 -1.26 -4.55 113.70 116.86 3fiq s SER 8 Ca 0.06 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 3fiq s SER 8 Cb -0.10 -1.09 0.35 0.00 0.10 0.00 0.00 66.02 65.28 3fiq s SER 8 CO 0.03 -0.01 1.78 -0.65 0.98 0.00 0.00 173.24 175.37 3fiq h PRO 9 N 1.76 0.58 -0.73 4.02 0.11 -1.85 -1.62 132.00 134.29 3fiq h PRO 9 Ca -0.46 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3fiq h PRO 9 Cb 1.24 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 3fiq h PRO 9 CO 0.60 0.38 0.48 0.77 -0.21 0.00 0.00 178.00 180.03 3fiq h SER 10 N 0.60 0.78 -0.35 -2.05 0.02 -1.94 -0.02 113.55 110.59 3fiq h SER 10 Ca 0.36 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.21 3fiq h SER 10 Cb 0.39 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3fiq h SER 10 CO -0.28 0.55 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.52 3fiq h GLU 11 N 0.91 0.69 0.00 3.45 5.08 -1.74 -3.38 114.58 119.59 3fiq h GLU 11 Ca 0.28 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3fiq h GLU 11 Cb 0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3fiq h GLU 11 CO -0.08 0.86 -2.07 1.33 -1.00 0.00 0.00 179.01 178.06 3fiq n VAL 12 N -4.38 0.47 -2.13 3.13 0.24 -0.69 -4.95 118.33 110.02 3fiq n VAL 12 Ca -0.02 -0.62 -0.42 0.00 -2.04 0.00 0.00 64.34 61.24 3fiq n VAL 12 Cb 0.36 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 3fiq n VAL 12 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3fiq s ASN 13 N -4.88 6.77 0.00 -1.34 -0.87 -0.05 -4.53 114.94 110.04 3fiq s ASN 13 Ca -0.08 2.20 0.00 0.00 -1.57 0.00 0.00 52.86 53.41 3fiq s ASN 13 Cb 0.11 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.79 3fiq s ASN 13 CO 0.88 -0.79 0.00 0.61 -2.57 0.00 0.00 177.10 175.23 3fiq n GLY 14 N 3.80 0.79 3.80 0.66 0.00 -0.57 -4.99 105.19 108.67 3fiq n GLY 14 Ca 0.14 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 3fiq n GLY 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fiq s ASP 15 N -3.83 7.16 0.05 1.61 1.01 -1.26 -1.38 116.67 120.02 3fiq s ASP 15 Ca 0.00 1.67 -0.07 0.00 0.71 0.00 0.00 52.55 54.86 3fiq s ASP 15 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3fiq s ASP 15 CO 0.00 -0.10 0.14 0.26 0.21 0.00 0.00 175.17 175.67 3fiq s TRP 16 N -1.72 0.16 0.16 4.23 0.52 -0.76 -4.76 118.94 116.77 3fiq s TRP 16 Ca 0.51 -0.47 0.04 0.00 0.02 0.00 0.00 56.10 56.19 3fiq s TRP 16 Cb -0.16 -0.11 -0.05 0.00 -1.15 0.00 0.00 33.47 32.01 3fiq s TRP 16 CO 0.21 -0.41 -0.08 -0.98 0.02 0.00 0.00 176.95 175.71 3fiq s ARG 17 N -2.86 1.10 -0.19 4.98 1.70 -0.22 -2.75 118.95 120.70 3fiq s ARG 17 Ca -0.03 -1.49 -0.16 0.00 -0.47 0.00 0.00 55.73 53.59 3fiq s ARG 17 Cb 0.00 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.77 3fiq s ARG 17 CO -0.06 0.03 0.39 0.99 -1.08 0.00 0.00 175.30 175.58 3fiq s THR 18 N -3.38 5.21 -0.22 4.99 2.01 -1.26 -0.09 115.64 122.89 3fiq s THR 18 Ca 0.19 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 62.73 3fiq s THR 18 Cb 0.03 -3.73 -0.18 0.00 0.01 0.00 0.00 72.50 68.64 3fiq s THR 18 CO 0.02 0.27 0.04 0.18 -0.69 0.00 0.00 174.62 174.43 3fiq n LEU 19 N 4.35 2.01 -3.92 4.42 4.77 0.32 -4.26 117.00 124.69 3fiq n LEU 19 Ca -0.09 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 3fiq n LEU 19 Cb 0.51 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 3fiq n LEU 19 CO 0.40 0.45 -0.27 -0.31 -1.33 0.00 0.00 177.39 176.33 3fiq s TYR 20 N -2.43 0.14 -0.02 -1.77 2.02 -1.22 -1.37 117.35 112.70 3fiq s TYR 20 Ca -0.32 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.10 3fiq s TYR 20 Cb 0.09 -0.11 0.00 0.00 -0.40 0.00 0.00 41.96 41.54 3fiq s TYR 20 CO 0.58 -0.22 -0.07 0.42 -1.57 0.00 0.00 175.55 174.68 3fiq s ILE 21 N -1.34 0.65 -0.00 2.71 1.01 -0.20 -0.67 121.20 123.36 3fiq s ILE 21 Ca -0.14 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3fiq s ILE 21 Cb -0.08 -0.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 3fiq s ILE 21 CO 0.00 0.21 -0.14 0.54 0.00 0.00 0.00 174.94 175.55 3fiq s VAL 22 N 0.21 1.09 0.07 2.92 0.11 0.14 -0.74 120.40 124.21 3fiq s VAL 22 Ca -0.03 -0.66 -0.13 0.00 -2.93 0.00 0.00 61.98 58.23 3fiq s VAL 22 Cb -0.08 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3fiq s VAL 22 CO 0.00 0.25 0.29 0.00 -3.33 0.00 0.00 175.10 172.31 3fiq s ALA 23 N -0.42 -0.59 -0.96 1.54 0.00 -1.26 -1.03 121.76 119.04 3fiq s ALA 23 Ca 0.05 -0.19 0.28 0.00 0.00 0.00 0.00 51.96 52.09 3fiq s ALA 23 Cb -0.06 0.44 1.02 0.00 0.00 0.00 0.00 23.12 24.52 3fiq s ALA 23 CO -0.00 -0.48 1.79 -0.40 0.00 0.00 0.00 175.76 176.66 3fiq n ASP 24 N 0.24 0.21 -4.08 0.00 5.75 -0.89 -4.38 116.55 113.40 3fiq n ASP 24 Ca -0.17 0.34 -0.35 0.00 -0.01 0.00 0.00 54.79 54.60 3fiq n ASP 24 Cb 0.61 -0.35 -0.12 0.00 -1.03 0.00 0.00 41.12 40.23 3fiq n ASP 24 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3fiq s ASN 25 N -3.20 5.08 0.36 -1.12 0.02 -1.26 -4.92 114.94 109.91 3fiq s ASN 25 Ca 0.13 -2.22 0.10 0.00 -1.02 0.00 0.00 52.86 49.85 3fiq s ASN 25 Cb 0.18 -1.77 0.69 0.00 0.02 0.00 0.00 41.25 40.37 3fiq s ASN 25 CO 0.58 -0.46 1.83 1.62 0.02 0.00 0.00 177.10 180.69 3fiq h VAL 26 N 6.24 1.24 -0.06 1.60 3.04 -1.94 -1.58 116.25 124.79 3fiq h VAL 26 Ca -0.09 -1.15 0.02 0.00 -1.01 0.00 0.00 66.70 64.47 3fiq h VAL 26 Cb 1.02 1.52 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3fiq h VAL 26 CO 0.66 0.34 0.09 1.05 -1.01 0.00 0.00 177.57 178.69 3fiq h GLU 27 N 0.12 0.00 0.00 4.17 9.09 -1.94 -0.12 114.58 125.90 3fiq h GLU 27 Ca 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.38 3fiq h GLU 27 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 3fiq h GLU 27 CO 0.04 0.00 -0.23 0.87 0.05 0.00 0.00 179.01 179.74 3fiq h LYS 28 N 0.00 0.00 0.00 1.06 1.79 -1.67 -3.35 116.57 114.40 3fiq h LYS 28 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3fiq h LYS 28 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3fiq h LYS 28 CO -0.00 0.23 -0.13 1.33 -1.08 0.00 0.00 179.45 179.80 3fiq n VAL 29 N -3.28 0.00 -1.06 0.50 0.24 -0.44 -0.74 118.33 113.54 3fiq n VAL 29 Ca 0.01 -0.43 -0.29 0.00 -2.04 0.00 0.00 64.34 61.59 3fiq n VAL 29 Cb 0.50 0.93 0.22 0.00 -1.47 0.00 0.00 33.84 34.02 3fiq n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fiq s ALA 30 N -1.13 0.61 0.17 2.33 0.00 -0.19 -4.57 121.76 118.99 3fiq s ALA 30 Ca 0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 51.96 50.96 3fiq s ALA 30 Cb 0.00 -2.99 -0.17 0.00 0.00 0.00 0.00 23.12 19.96 3fiq s ALA 30 CO 0.00 -3.37 0.91 -1.91 0.00 0.00 0.00 175.76 171.39 3fiq n GLU 31 N -4.58 0.60 -1.02 0.00 2.13 -1.26 -0.51 120.64 116.00 3fiq n GLU 31 Ca 0.09 0.21 -0.01 0.00 0.66 0.00 0.00 57.16 58.12 3fiq n GLU 31 Cb 0.58 -1.52 -0.00 0.00 0.27 0.00 0.00 31.44 30.77 3fiq n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fiq n GLY 32 N 1.79 0.24 3.78 8.31 0.00 -1.26 -5.00 105.19 113.06 3fiq n GLY 32 Ca 0.16 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3fiq n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fiq s GLY 33 N -2.05 2.65 0.46 -0.02 0.00 0.34 -4.94 107.32 103.75 3fiq s GLY 33 Ca 0.00 0.73 0.21 0.00 0.00 0.00 0.00 44.72 45.66 3fiq s GLY 33 CO 0.00 1.11 1.96 1.48 0.00 0.00 0.00 173.10 177.65 3fiq h SER 34 N 1.88 0.00 -0.69 1.64 4.64 -1.74 -2.16 113.55 117.13 3fiq h SER 34 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3fiq h SER 34 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fiq h SER 34 CO 0.60 0.22 0.00 0.18 -0.87 0.00 0.00 176.83 176.95 3fiq n LEU 35 N -3.80 3.90 -4.53 5.97 4.77 0.08 -4.78 117.00 118.61 3fiq n LEU 35 Ca -0.02 -2.03 -0.43 0.00 -0.03 0.00 0.00 56.01 53.50 3fiq n LEU 35 Cb 0.32 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3fiq n LEU 35 CO 0.34 0.95 1.72 -0.60 -1.33 0.00 0.00 177.39 178.46 3fiq s ARG 36 N -1.06 4.02 -0.26 3.23 3.52 -0.81 -4.80 118.95 122.78 3fiq s ARG 36 Ca 0.46 -2.21 -0.12 0.00 -0.13 0.00 0.00 55.73 53.73 3fiq s ARG 36 Cb 0.25 -5.33 -0.05 0.00 -1.56 0.00 0.00 34.95 28.25 3fiq s ARG 36 CO 0.31 -2.05 0.21 0.00 -0.81 0.00 0.00 175.30 172.96 3fiq s ALA 37 N 3.15 3.57 -0.64 6.12 0.00 -1.26 -4.59 121.76 128.10 3fiq s ALA 37 Ca 0.49 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 3fiq s ALA 37 Cb 0.01 -2.45 0.12 0.00 0.00 0.00 0.00 23.12 20.80 3fiq s ALA 37 CO 0.04 -0.41 0.73 0.71 0.00 0.00 0.00 175.76 176.83 3fiq s TYR 38 N 1.50 3.11 0.65 0.00 1.51 0.26 -4.73 117.35 119.66 3fiq s TYR 38 Ca 0.09 -1.14 -0.18 0.00 -1.01 0.00 0.00 57.07 54.83 3fiq s TYR 38 Cb -0.15 -4.00 -0.01 0.00 -0.11 0.00 0.00 41.96 37.69 3fiq s TYR 38 CO 0.08 -1.26 1.20 1.19 -1.11 0.00 0.00 175.55 175.65 3fiq n PHE 39 N 6.00 1.58 0.00 2.71 3.01 -1.26 -0.63 117.46 128.86 3fiq n PHE 39 Ca -0.05 0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.83 3fiq n PHE 39 Cb 0.43 -2.22 0.00 0.00 -0.01 0.00 0.00 39.48 37.68 3fiq n PHE 39 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3fiq n GLN 40 N -1.77 0.00 -3.54 -1.08 7.27 0.18 -4.13 117.38 114.32 3fiq n GLN 40 Ca 0.15 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.05 3fiq n GLN 40 Cb 0.48 -0.81 -0.06 0.00 2.41 0.00 0.00 30.24 32.26 3fiq n GLN 40 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3fiq s HIS 41 N -1.94 -0.65 0.03 3.69 5.04 -0.89 -1.83 115.29 118.74 3fiq s HIS 41 Ca 0.00 1.15 0.05 0.00 -1.54 0.00 0.00 55.06 54.72 3fiq s HIS 41 Cb 0.00 0.39 -0.02 0.00 0.04 0.00 0.00 32.58 32.99 3fiq s HIS 41 CO 0.00 -0.58 -0.13 -1.64 -2.34 0.00 0.00 174.74 170.04 3fiq s MET 42 N -1.08 0.90 -0.16 2.88 -1.94 -0.48 -0.81 119.30 118.61 3fiq s MET 42 Ca -0.10 -0.72 -0.09 0.00 -1.71 0.00 0.00 55.69 53.06 3fiq s MET 42 Cb -0.01 -0.90 0.06 0.00 2.01 0.00 0.00 34.83 35.99 3fiq s MET 42 CO 0.09 0.22 0.39 -2.00 -0.01 0.00 0.00 175.02 173.72 3fiq s GLU 43 N -1.07 0.38 0.27 2.03 2.12 0.00 -1.52 118.70 120.91 3fiq s GLU 43 Ca 0.01 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.11 3fiq s GLU 43 Cb -0.08 -0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 3fiq s GLU 43 CO 0.01 -0.15 0.19 0.00 -0.54 0.00 0.00 175.26 174.77 3fiq n GLY 45 N -0.45 7.44 1.03 0.00 0.00 -1.25 -4.73 105.19 107.22 3fiq n GLY 45 Ca 0.04 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 3fiq n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fiq n ASP 46 N -0.05 0.33 0.00 1.61 8.00 -1.26 0.13 116.55 125.31 3fiq n ASP 46 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3fiq n ASP 46 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3fiq n ASP 46 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fiq n GLU 47 N 1.15 -0.74 -3.62 -1.24 -0.58 -1.26 -2.39 120.64 111.96 3fiq n GLU 47 Ca 0.09 0.18 -0.26 0.00 -0.42 0.00 0.00 57.16 56.75 3fiq n GLU 47 Cb -0.02 -4.38 0.05 0.00 -0.57 0.00 0.00 31.44 26.52 3fiq n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fiq h GLN 49 N -2.15 0.55 -4.46 0.00 5.75 -1.63 -3.41 115.11 109.76 3fiq h GLN 49 Ca -0.56 -0.27 -0.63 0.00 -0.15 0.00 0.00 58.65 57.04 3fiq h GLN 49 Cb 1.37 -0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.53 3fiq h GLN 49 CO 0.61 0.84 -0.77 -2.00 -2.65 0.00 0.00 178.83 174.86 3fiq s GLU 50 N -4.30 1.60 -0.33 1.69 2.12 -1.26 -0.90 118.70 117.32 3fiq s GLU 50 Ca -0.07 -1.32 -0.06 0.00 0.36 0.00 0.00 54.97 53.87 3fiq s GLU 50 Cb 0.13 -2.75 0.04 0.00 0.26 0.00 0.00 34.13 31.80 3fiq s GLU 50 CO 0.82 -0.73 0.10 -1.17 -0.54 0.00 0.00 175.26 173.73 3fiq s LEU 51 N 1.22 4.24 -0.22 2.70 2.96 -0.03 -3.93 118.68 125.63 3fiq s LEU 51 Ca -0.00 -1.09 -0.19 0.00 -0.22 0.00 0.00 54.13 52.63 3fiq s LEU 51 Cb -0.19 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3fiq s LEU 51 CO -0.09 -0.31 0.55 -0.54 -1.32 0.00 0.00 176.35 174.64 3fiq s LYS 52 N 1.41 4.16 -0.15 1.98 3.01 0.24 -0.36 119.74 130.04 3fiq s LYS 52 Ca -0.01 0.45 0.01 0.00 -1.01 0.00 0.00 55.97 55.41 3fiq s LYS 52 Cb -0.19 -3.59 0.00 0.00 -1.01 0.00 0.00 37.83 33.04 3fiq s LYS 52 CO 0.03 -0.23 -0.18 0.42 0.51 0.00 0.00 175.35 175.90 3fiq s ILE 53 N 1.89 2.42 -0.16 2.17 1.01 -0.21 -0.82 121.20 127.50 3fiq s ILE 53 Ca 0.25 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3fiq s ILE 53 Cb -0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3fiq s ILE 53 CO 0.10 0.53 0.05 -0.63 0.00 0.00 0.00 174.94 174.98 3fiq s ILE 54 N 0.82 4.68 0.09 2.92 1.01 0.01 -1.57 121.20 129.16 3fiq s ILE 54 Ca -0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 3fiq s ILE 54 Cb -0.15 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3fiq s ILE 54 CO -0.01 0.49 0.21 0.72 0.00 0.00 0.00 174.94 176.36 3fiq s PHE 55 N 0.11 0.12 0.15 3.97 -0.71 -0.32 -0.64 117.98 120.65 3fiq s PHE 55 Ca 0.04 -0.54 0.06 0.00 -1.04 0.00 0.00 56.93 55.46 3fiq s PHE 55 Cb -0.12 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 3fiq s PHE 55 CO 0.01 -0.56 0.01 -0.80 -1.34 0.00 0.00 175.22 172.54 3fiq s ASN 56 N -2.86 4.93 0.13 1.98 0.01 0.19 -0.19 114.94 119.13 3fiq s ASN 56 Ca 0.05 -0.30 0.10 0.00 -0.71 0.00 0.00 52.86 52.00 3fiq s ASN 56 Cb 0.05 -1.12 -0.04 0.00 0.41 0.00 0.00 41.25 40.55 3fiq s ASN 56 CO -0.11 0.12 -0.24 0.68 -1.51 0.00 0.00 177.10 176.03 3fiq s VAL 57 N -1.58 2.08 -0.12 1.60 -7.23 -0.47 -0.57 120.40 114.11 3fiq s VAL 57 Ca 0.27 -1.75 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 3fiq s VAL 57 Cb -0.10 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3fiq s VAL 57 CO 0.19 -0.01 0.47 -0.54 -0.31 0.00 0.00 175.10 174.90 3fiq s LYS 58 N -2.15 4.33 -0.07 4.82 -0.14 -1.26 -0.95 119.74 124.32 3fiq s LYS 58 Ca 0.13 0.45 -0.01 0.00 -1.36 0.00 0.00 55.97 55.17 3fiq s LYS 58 Cb -0.09 -3.43 0.03 0.00 -1.68 0.00 0.00 37.83 32.65 3fiq s LYS 58 CO 0.06 0.17 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.64 3fiq s LEU 59 N 0.59 0.68 0.00 3.17 2.96 -0.40 -4.68 118.68 121.01 3fiq s LEU 59 Ca 0.26 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3fiq s LEU 59 Cb -0.15 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.07 3fiq s LEU 59 CO 0.10 -0.18 0.00 0.47 -1.32 0.00 0.00 176.35 175.42 3fiq n ASP 60 N 5.05 0.00 -0.98 3.68 8.00 -1.26 -1.60 116.55 129.43 3fiq n ASP 60 Ca -0.09 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.52 3fiq n ASP 60 Cb 0.50 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.87 3fiq n ASP 60 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3fiq n SER 61 N 3.21 2.92 -4.85 -2.24 3.41 -1.26 -4.96 113.62 109.84 3fiq n SER 61 Ca 0.00 -1.93 -0.21 0.00 -0.26 0.00 0.00 58.87 56.47 3fiq n SER 61 Cb 0.00 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 3fiq n SER 61 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3fiq s GLU 62 N -1.49 2.58 -0.24 4.33 0.41 -0.63 -5.09 118.70 118.58 3fiq s GLU 62 Ca 0.37 -1.46 -0.15 0.00 -0.41 0.00 0.00 54.97 53.32 3fiq s GLU 62 Cb 0.21 -2.38 -0.04 0.00 -1.78 0.00 0.00 34.13 30.13 3fiq s GLU 62 CO 0.29 -0.06 0.38 0.00 -0.49 0.00 0.00 175.26 175.38 3fiq s GLN 64 N 1.69 2.71 0.01 0.00 0.74 -0.12 -4.95 119.66 119.73 3fiq s GLN 64 Ca 0.17 -1.13 -0.21 0.00 0.05 0.00 0.00 55.36 54.24 3fiq s GLN 64 Cb -0.15 -3.49 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 3fiq s GLN 64 CO 0.09 -0.64 0.61 0.99 -0.55 0.00 0.00 175.29 175.78 3fiq s THR 65 N 1.44 4.86 0.14 -0.34 2.01 -1.26 -1.37 115.64 121.11 3fiq s THR 65 Ca -0.01 1.29 0.08 0.00 0.31 0.00 0.00 61.69 63.37 3fiq s THR 65 Cb -0.19 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 3fiq s THR 65 CO 0.03 0.43 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.21 3fiq s HIS 66 N -0.31 1.79 -0.03 4.92 3.76 0.73 -5.00 115.29 121.15 3fiq s HIS 66 Ca 0.32 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.80 3fiq s HIS 66 Cb -0.19 -0.92 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 3fiq s HIS 66 CO 0.18 0.28 -0.12 0.99 -0.85 0.00 0.00 174.74 175.22 3fiq s THR 67 N -1.77 1.04 0.11 1.30 2.01 -1.26 -1.17 115.64 115.90 3fiq s THR 67 Ca 0.12 -0.52 0.10 0.00 0.31 0.00 0.00 61.69 61.70 3fiq s THR 67 Cb -0.07 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3fiq s THR 67 CO 0.06 0.31 -0.24 0.68 -0.69 0.00 0.00 174.62 174.73 3fiq s VAL 68 N 0.03 2.01 -0.28 3.82 -7.23 -0.61 -4.99 120.40 113.15 3fiq s VAL 68 Ca -0.01 -1.62 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 3fiq s VAL 68 Cb -0.09 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.10 3fiq s VAL 68 CO 0.01 0.06 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.14 3fiq s VAL 69 N -1.07 2.99 0.06 1.32 1.01 -1.26 -1.04 120.40 122.42 3fiq s VAL 69 Ca 0.11 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 3fiq s VAL 69 Cb -0.10 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 3fiq s VAL 69 CO 0.05 0.04 0.76 -0.83 0.00 0.00 0.00 175.10 175.12 3fiq s GLY 70 N 1.30 2.81 -0.26 4.51 0.00 0.51 -4.58 107.32 111.61 3fiq s GLY 70 Ca -0.02 0.29 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 3fiq s GLY 70 CO -0.02 1.05 0.14 1.20 0.00 0.00 0.00 173.10 175.47 3fiq s GLN 71 N -0.23 3.87 0.36 2.90 -1.52 -0.55 -0.85 119.66 123.63 3fiq s GLN 71 Ca 0.38 -0.37 -0.26 0.00 -1.95 0.00 0.00 55.36 53.16 3fiq s GLN 71 Cb -0.21 -3.51 -0.09 0.00 -0.22 0.00 0.00 33.01 28.98 3fiq s GLN 71 CO 0.23 -0.13 1.12 0.21 -0.25 0.00 0.00 175.29 176.47 3fiq s LYS 72 N 1.56 4.27 0.40 2.91 2.20 -0.08 -1.61 119.74 129.38 3fiq s LYS 72 Ca 0.07 1.74 0.04 0.00 -0.36 0.00 0.00 55.97 57.46 3fiq s LYS 72 Cb -0.15 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 33.31 3fiq s LYS 72 CO 0.07 -0.10 0.04 -1.01 -0.36 0.00 0.00 175.35 173.99 3fiq s HIS 73 N -1.40 2.12 0.43 4.03 3.76 -0.19 -4.98 115.29 119.06 3fiq s HIS 73 Ca 0.53 -0.90 0.09 0.00 -0.15 0.00 0.00 55.06 54.64 3fiq s HIS 73 Cb -0.29 -1.50 0.92 0.00 1.11 0.00 0.00 32.58 32.83 3fiq s HIS 73 CO 0.36 0.16 2.05 1.49 -0.85 0.00 0.00 174.74 177.95 3fiq h GLU 74 N 1.83 0.38 0.00 1.40 4.81 -1.98 -0.88 114.58 120.15 3fiq h GLU 74 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3fiq h GLU 74 Cb 1.26 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3fiq h GLU 74 CO 0.73 0.29 0.00 -0.40 -0.73 0.00 0.00 179.01 178.90 3fiq n ASP 75 N -4.45 0.00 0.00 1.04 5.68 -1.26 -4.86 116.55 112.69 3fiq n ASP 75 Ca 0.01 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 3fiq n ASP 75 Cb 0.10 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3fiq n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fiq n GLY 76 N 0.53 1.73 3.79 6.12 0.00 -0.33 -4.80 105.19 112.22 3fiq n GLY 76 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3fiq n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fiq s ARG 77 N -0.66 4.31 -0.05 1.61 3.00 -1.26 -4.75 118.95 121.15 3fiq s ARG 77 Ca 0.00 1.41 -0.05 0.00 0.00 0.00 0.00 55.73 57.09 3fiq s ARG 77 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 34.95 32.33 3fiq s ARG 77 CO 0.00 0.01 0.19 0.71 0.00 0.00 0.00 175.30 176.20 3fiq s TYR 78 N -1.71 3.58 0.06 -0.53 1.51 0.49 -1.02 117.35 119.74 3fiq s TYR 78 Ca 0.56 0.48 0.05 0.00 -1.01 0.00 0.00 57.07 57.14 3fiq s TYR 78 Cb -0.19 -1.91 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3fiq s TYR 78 CO 0.25 0.68 -0.06 0.95 -1.11 0.00 0.00 175.55 176.26 3fiq s THR 79 N -1.20 3.67 -0.06 -0.71 -4.23 -0.63 -0.85 115.64 111.63 3fiq s THR 79 Ca 0.22 -0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3fiq s THR 79 Cb -0.13 -2.68 0.07 0.00 1.34 0.00 0.00 72.50 71.10 3fiq s THR 79 CO 0.12 0.23 0.67 0.28 -0.54 0.00 0.00 174.62 175.38 3fiq s THR 80 N -1.16 0.00 0.12 3.99 -1.32 -0.77 -1.49 115.64 115.01 3fiq s THR 80 Ca 0.21 -0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.39 3fiq s THR 80 Cb -0.11 -0.98 -0.06 0.00 -1.51 0.00 0.00 72.50 69.83 3fiq s THR 80 CO 0.13 -0.01 0.88 -1.81 -2.21 0.00 0.00 174.62 171.60 3fiq s ASP 81 N -1.14 7.43 0.00 8.08 1.01 -1.26 -0.38 116.67 130.41 3fiq s ASP 81 Ca -0.11 1.70 0.00 0.00 0.71 0.00 0.00 52.55 54.86 3fiq s ASP 81 Cb -0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3fiq s ASP 81 CO 0.09 0.03 0.00 0.00 0.21 0.00 0.00 175.17 175.50 3fiq n TYR 82 N 2.44 0.00 -4.03 4.23 9.36 -1.26 -4.90 117.16 123.00 3fiq n TYR 82 Ca -0.01 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.91 3fiq n TYR 82 Cb 0.49 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.17 3fiq n TYR 82 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3fiq n SER 83 N 0.00 -1.23 0.00 2.98 2.88 -1.26 -4.36 113.62 112.63 3fiq n SER 83 Ca 0.00 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 3fiq n SER 83 Cb 0.00 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.94 3fiq n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fiq n GLY 84 N -2.12 -0.03 3.55 0.46 0.00 -1.26 -4.23 105.19 101.55 3fiq n GLY 84 Ca -0.26 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 3fiq n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fiq s ARG 85 N 0.00 2.77 0.03 1.61 6.06 -0.00 -4.35 118.95 125.07 3fiq s ARG 85 Ca 0.00 -0.58 0.07 0.00 -2.50 0.00 0.00 55.73 52.71 3fiq s ARG 85 Cb 0.00 -2.56 -0.02 0.00 0.06 0.00 0.00 34.95 32.43 3fiq s ARG 85 CO 0.00 0.62 -0.20 -0.80 -2.50 0.00 0.00 175.30 172.42 3fiq s ASN 86 N -0.68 2.35 -0.25 -2.12 0.01 0.49 -0.42 114.94 114.32 3fiq s ASN 86 Ca 0.10 -0.47 -0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3fiq s ASN 86 Cb -0.11 -0.21 0.07 0.00 0.41 0.00 0.00 41.25 41.41 3fiq s ASN 86 CO 0.01 0.17 0.02 -0.31 -1.51 0.00 0.00 177.10 175.48 3fiq s TYR 87 N -0.71 1.89 0.11 2.20 1.51 -0.44 -1.85 117.35 120.05 3fiq s TYR 87 Ca 0.07 -1.55 0.07 0.00 -1.01 0.00 0.00 57.07 54.64 3fiq s TYR 87 Cb -0.08 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 3fiq s TYR 87 CO 0.01 -0.76 -0.17 -0.59 -1.11 0.00 0.00 175.55 172.93 3fiq s PHE 88 N 1.56 1.54 0.28 2.71 -0.71 -0.03 -1.17 117.98 122.16 3fiq s PHE 88 Ca 0.01 -0.47 -0.13 0.00 -1.04 0.00 0.00 56.93 55.29 3fiq s PHE 88 Cb -0.18 -0.83 0.01 0.00 -1.21 0.00 0.00 43.02 40.81 3fiq s PHE 88 CO -0.12 0.17 0.55 -3.38 -1.34 0.00 0.00 175.22 171.10 3fiq s HIS 89 N -1.54 0.31 -0.22 3.49 -3.43 -0.10 -0.38 115.29 113.42 3fiq s HIS 89 Ca 0.06 -0.71 -0.15 0.00 -0.80 0.00 0.00 55.06 53.46 3fiq s HIS 89 Cb -0.08 0.32 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 3fiq s HIS 89 CO 0.04 -1.11 0.38 0.08 -2.00 0.00 0.00 174.74 172.13 3fiq s VAL 90 N -3.73 5.20 -0.12 -5.38 1.01 -1.26 -1.07 120.40 115.03 3fiq s VAL 90 Ca 0.21 0.65 0.13 0.00 0.00 0.00 0.00 61.98 62.96 3fiq s VAL 90 Cb -0.02 -3.71 -0.24 0.00 0.00 0.00 0.00 36.38 32.41 3fiq s VAL 90 CO 0.10 0.23 0.35 0.18 0.00 0.00 0.00 175.10 175.96 3fiq n LEU 91 N 4.71 0.79 -3.68 3.92 4.77 0.46 -3.46 117.00 124.52 3fiq n LEU 91 Ca -0.09 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 3fiq n LEU 91 Cb 0.51 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 3fiq n LEU 91 CO 0.39 0.50 0.21 -0.75 -1.33 0.00 0.00 177.39 176.41 3fiq s LYS 92 N -2.55 0.69 -0.08 3.23 2.20 -1.13 -4.91 119.74 117.19 3fiq s LYS 92 Ca -0.10 0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.89 3fiq s LYS 92 Cb 0.07 0.33 0.03 0.00 -1.51 0.00 0.00 37.83 36.75 3fiq s LYS 92 CO 0.81 -0.13 0.31 -1.59 -0.36 0.00 0.00 175.35 174.39 3fiq s LYS 93 N -0.23 0.47 0.42 4.03 -2.85 -1.26 -1.14 119.74 119.17 3fiq s LYS 93 Ca -0.04 0.22 0.05 0.00 -1.00 0.00 0.00 55.97 55.20 3fiq s LYS 93 Cb -0.03 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.94 3fiq s LYS 93 CO 0.03 -0.09 0.16 0.25 0.10 0.00 0.00 175.35 175.80 3fiq n THR 94 N 2.36 0.00 0.24 3.79 -2.24 -0.07 -5.02 114.28 113.34 3fiq n THR 94 Ca -0.16 -2.46 0.09 0.00 -2.27 0.00 0.00 64.05 59.25 3fiq n THR 94 Cb 0.57 0.92 0.61 0.00 -2.10 0.00 0.00 70.33 70.33 3fiq n THR 94 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3fiq h ASP 95 N 1.72 0.00 0.00 3.42 2.03 -2.01 -3.28 116.42 118.30 3fiq h ASP 95 Ca -0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 3fiq h ASP 95 Cb 1.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3fiq h ASP 95 CO 0.50 0.18 0.00 -0.90 -1.03 0.00 0.00 179.24 177.99 3fiq n ASP 96 N -3.84 1.49 -3.76 4.15 5.68 -1.26 -4.91 116.55 114.09 3fiq n ASP 96 Ca -0.02 -1.66 -0.13 0.00 -0.50 0.00 0.00 54.79 52.48 3fiq n ASP 96 Cb 0.27 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.12 3fiq n ASP 96 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3fiq s ILE 97 N -0.66 -0.03 -0.09 2.12 -1.09 -1.24 -0.62 121.20 119.59 3fiq s ILE 97 Ca 0.00 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 3fiq s ILE 97 Cb 0.00 -0.28 0.01 0.00 -1.58 0.00 0.00 42.46 40.61 3fiq s ILE 97 CO 0.00 0.05 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.98 3fiq s ILE 98 N 0.84 1.38 -0.35 2.92 1.01 -0.18 -0.89 121.20 125.93 3fiq s ILE 98 Ca -0.06 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 3fiq s ILE 98 Cb -0.08 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3fiq s ILE 98 CO -0.05 0.41 0.48 -0.36 0.00 0.00 0.00 174.94 175.42 3fiq s PHE 99 N 0.83 3.19 -0.04 3.97 0.40 -0.29 -0.56 117.98 125.48 3fiq s PHE 99 Ca -0.10 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 3fiq s PHE 99 Cb -0.15 -2.86 -0.04 0.00 0.51 0.00 0.00 43.02 40.47 3fiq s PHE 99 CO 0.01 -0.52 0.16 -0.06 0.70 0.00 0.00 175.22 175.52 3fiq s PHE 100 N 2.30 3.54 -0.15 0.36 0.08 -0.10 -0.40 117.98 123.61 3fiq s PHE 100 Ca 0.17 0.38 -0.03 0.00 0.12 0.00 0.00 56.93 57.57 3fiq s PHE 100 Cb -0.16 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3fiq s PHE 100 CO 0.13 0.66 -0.05 -1.58 -0.10 0.00 0.00 175.22 174.28 3fiq s HIS 101 N -1.24 3.00 -0.02 0.36 5.65 -0.24 -1.28 115.29 121.52 3fiq s HIS 101 Ca 0.24 -0.30 0.04 0.00 0.25 0.00 0.00 55.06 55.29 3fiq s HIS 101 Cb -0.12 -1.93 -0.01 0.00 -1.18 0.00 0.00 32.58 29.34 3fiq s HIS 101 CO 0.15 -0.02 -0.14 1.21 -0.65 0.00 0.00 174.74 175.29 3fiq s ASN 102 N 0.25 1.66 -0.24 9.88 3.04 -0.12 -0.92 114.94 128.51 3fiq s ASN 102 Ca -0.03 -0.26 -0.05 0.00 0.04 0.00 0.00 52.86 52.55 3fiq s ASN 102 Cb -0.14 -0.31 -0.01 0.00 -1.54 0.00 0.00 41.25 39.25 3fiq s ASN 102 CO 0.03 0.14 -0.00 -0.69 -3.04 0.00 0.00 177.10 173.54 3fiq s VAL 103 N -0.12 3.66 -0.18 -5.21 1.01 -0.32 -0.59 120.40 118.65 3fiq s VAL 103 Ca 0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3fiq s VAL 103 Cb -0.08 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3fiq s VAL 103 CO 0.00 0.35 0.02 0.21 0.00 0.00 0.00 175.10 175.68 3fiq s ASN 104 N 1.51 5.22 -0.34 3.32 3.84 -0.07 -1.33 114.94 127.10 3fiq s ASN 104 Ca 0.05 -0.04 -0.03 0.00 0.21 0.00 0.00 52.86 53.05 3fiq s ASN 104 Cb -0.15 -1.88 0.06 0.00 -0.55 0.00 0.00 41.25 38.73 3fiq s ASN 104 CO -0.01 0.15 0.07 -0.69 -2.79 0.00 0.00 177.10 173.83 3fiq s VAL 105 N 0.50 3.23 0.94 -5.21 1.01 0.44 -0.59 120.40 120.72 3fiq s VAL 105 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 3fiq s VAL 105 Cb -0.13 -2.94 0.16 0.00 0.00 0.00 0.00 36.38 33.46 3fiq s VAL 105 CO 0.02 -0.27 1.18 1.51 0.00 0.00 0.00 175.10 177.54 3fiq s ASP 106 N 1.43 3.28 0.61 3.32 1.47 -0.21 -0.82 116.67 125.75 3fiq s ASP 106 Ca -0.01 0.76 0.31 0.00 1.18 0.00 0.00 52.55 54.79 3fiq s ASP 106 Cb -0.20 -1.17 1.80 0.00 -0.34 0.00 0.00 42.92 43.01 3fiq s ASP 106 CO -0.01 -2.67 2.16 -0.33 0.68 0.00 0.00 175.17 175.00 3fiq h GLU 107 N -1.58 0.00 -0.01 2.11 5.08 -1.90 0.11 114.58 118.38 3fiq h GLU 107 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3fiq h GLU 107 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3fiq h GLU 107 CO 0.55 0.00 -0.14 -1.13 -1.00 0.00 0.00 179.01 177.28 3fiq n SER 108 N -3.64 1.23 0.00 1.42 3.41 -1.26 -4.92 113.62 109.86 3fiq n SER 108 Ca -0.00 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3fiq n SER 108 Cb 0.24 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3fiq n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fiq n GLY 109 N 1.27 0.62 3.72 5.00 0.00 0.02 -5.05 105.19 110.77 3fiq n GLY 109 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3fiq n GLY 109 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fiq s LYS 110 N -0.78 4.48 -0.18 1.61 2.20 -1.26 -4.69 119.74 121.12 3fiq s LYS 110 Ca 0.00 1.73 -0.09 0.00 -0.36 0.00 0.00 55.97 57.25 3fiq s LYS 110 Cb 0.00 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3fiq s LYS 110 CO 0.00 -0.17 0.12 -2.00 -0.36 0.00 0.00 175.35 172.94 3fiq s GLU 111 N 0.74 4.03 -0.09 4.03 2.12 -1.26 -1.04 118.70 127.24 3fiq s GLU 111 Ca 0.56 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.69 3fiq s GLU 111 Cb -0.29 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.77 3fiq s GLU 111 CO 0.30 0.37 -0.15 0.99 -0.54 0.00 0.00 175.26 176.23 3fiq s THR 112 N 0.14 1.43 -0.14 -1.70 2.01 0.25 -4.91 115.64 112.72 3fiq s THR 112 Ca 0.08 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 3fiq s THR 112 Cb -0.11 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 3fiq s THR 112 CO -0.01 0.42 0.32 0.20 -0.69 0.00 0.00 174.62 174.86 3fiq s ASN 113 N 0.73 6.50 -0.01 3.53 0.01 -1.26 -0.89 114.94 123.55 3fiq s ASN 113 Ca -0.12 0.59 0.02 0.00 -0.71 0.00 0.00 52.86 52.63 3fiq s ASN 113 Cb -0.16 -2.19 -0.00 0.00 0.41 0.00 0.00 41.25 39.31 3fiq s ASN 113 CO 0.03 0.13 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.00 3fiq s VAL 114 N 0.23 0.46 -0.17 1.60 1.01 0.24 -2.09 120.40 121.68 3fiq s VAL 114 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3fiq s VAL 114 Cb -0.14 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 3fiq s VAL 114 CO 0.06 0.14 -0.13 -0.63 0.00 0.00 0.00 175.10 174.54 3fiq s ILE 115 N 0.02 2.79 -0.11 2.22 1.01 -0.19 -0.94 121.20 125.99 3fiq s ILE 115 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3fiq s ILE 115 Cb -0.04 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3fiq s ILE 115 CO -0.00 0.50 -0.21 -0.22 0.00 0.00 0.00 174.94 175.00 3fiq s LEU 116 N 1.01 2.26 -0.33 2.97 0.20 -0.40 -0.68 118.68 123.70 3fiq s LEU 116 Ca -0.01 -0.50 -0.11 0.00 0.69 0.00 0.00 54.13 54.19 3fiq s LEU 116 Cb -0.15 -1.46 -0.01 0.00 -0.43 0.00 0.00 46.19 44.14 3fiq s LEU 116 CO -0.02 0.16 0.20 -0.69 -0.29 0.00 0.00 176.35 175.71 3fiq s VAL 117 N 0.36 4.94 -0.04 1.68 1.01 0.16 -0.92 120.40 127.58 3fiq s VAL 117 Ca -0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3fiq s VAL 117 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3fiq s VAL 117 CO 0.08 -0.00 0.10 0.00 0.00 0.00 0.00 175.10 175.28 3fiq s ALA 118 N 1.66 3.68 0.05 5.51 0.00 0.28 -0.52 121.76 132.42 3fiq s ALA 118 Ca 0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3fiq s ALA 118 Cb -0.17 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 3fiq s ALA 118 CO 0.08 0.67 -0.01 0.20 0.00 0.00 0.00 175.76 176.71 3fiq s GLY 119 N -1.48 0.41 -0.10 0.00 0.00 0.87 -1.01 107.32 106.00 3fiq s GLY 119 Ca 0.20 -1.09 0.15 0.00 0.00 0.00 0.00 44.72 43.99 3fiq s GLY 119 CO 0.11 -1.20 1.41 0.28 0.00 0.00 0.00 173.10 173.70 3fiq n LYS 120 N 0.25 3.11 -4.16 2.90 5.02 0.21 -1.06 118.16 124.44 3fiq n LYS 120 Ca -0.15 -2.57 -0.13 0.00 -2.02 0.00 0.00 58.31 53.44 3fiq n LYS 120 Cb 0.60 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.88 3fiq n LYS 120 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3fiq s ARG 121 N -1.97 1.46 0.16 1.97 1.70 -1.26 -5.06 118.95 115.96 3fiq s ARG 121 Ca 0.37 -1.63 0.23 0.00 -0.47 0.00 0.00 55.73 54.23 3fiq s ARG 121 Cb 0.26 0.34 0.12 0.00 -0.57 0.00 0.00 34.95 35.10 3fiq s ARG 121 CO 0.14 -0.54 1.13 1.05 -1.08 0.00 0.00 175.30 176.01 3fiq h GLU 122 N 2.40 0.00 -5.01 3.89 4.11 -1.97 -3.47 114.58 114.52 3fiq h GLU 122 Ca -0.31 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.77 3fiq h GLU 122 Cb 1.25 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.29 3fiq h GLU 122 CO 0.45 0.00 -0.75 0.16 0.07 0.00 0.00 179.01 178.93 3fiq s ASP 123 N -4.85 1.36 0.37 3.06 1.47 -1.26 -4.96 116.67 111.86 3fiq s ASP 123 Ca 0.02 -0.64 -0.16 0.00 1.18 0.00 0.00 52.55 52.95 3fiq s ASP 123 Cb 0.11 -0.01 -0.09 0.00 -0.34 0.00 0.00 42.92 42.59 3fiq s ASP 123 CO 0.77 -0.16 0.81 -0.76 0.68 0.00 0.00 175.17 176.51 3fiq s LEU 124 N -1.84 3.97 0.86 2.11 1.43 -1.26 -5.09 118.68 118.86 3fiq s LEU 124 Ca -0.03 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 3fiq s LEU 124 Cb -0.08 -4.22 0.15 0.00 0.03 0.00 0.00 46.19 42.07 3fiq s LEU 124 CO 0.01 -0.30 1.19 0.54 0.23 0.00 0.00 176.35 178.03 3fiq s ASN 125 N -2.42 3.77 0.16 2.29 2.20 -1.26 -4.87 114.94 114.82 3fiq s ASN 125 Ca 0.56 0.21 -0.11 0.00 -0.94 0.00 0.00 52.86 52.58 3fiq s ASN 125 Cb -0.10 -0.46 0.04 0.00 -2.00 0.00 0.00 41.25 38.73 3fiq s ASN 125 CO 0.19 -2.29 1.63 0.50 -2.94 0.00 0.00 177.10 174.18 3fiq h LYS 126 N -1.19 0.95 -0.74 3.55 3.64 -1.99 -1.48 116.57 119.31 3fiq h LYS 126 Ca -0.43 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 58.69 3fiq h LYS 126 Cb 1.26 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 3fiq h LYS 126 CO 0.45 0.95 0.46 0.00 -2.27 0.00 0.00 179.45 179.04 3fiq h ALA 127 N 0.97 0.97 -0.22 5.00 0.00 -1.99 -1.97 119.26 122.01 3fiq h ALA 127 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3fiq h ALA 127 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fiq h ALA 127 CO 0.02 0.23 -0.31 1.96 0.00 0.00 0.00 179.25 181.15 3fiq h GLN 128 N 0.89 0.44 -0.75 0.00 4.20 -1.81 -0.58 115.11 117.50 3fiq h GLN 128 Ca 0.30 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3fiq h GLN 128 Cb 0.04 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3fiq h GLN 128 CO -0.12 0.71 0.34 0.87 -0.67 0.00 0.00 178.83 179.96 3fiq h LYS 129 N 0.38 1.10 -0.26 1.46 1.57 -0.95 -0.28 116.57 119.59 3fiq h LYS 129 Ca 0.05 -0.18 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 3fiq h LYS 129 Cb 0.74 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3fiq h LYS 129 CO 0.06 0.87 -0.53 1.96 -0.57 0.00 0.00 179.45 181.24 3fiq h GLN 130 N 1.07 0.75 -0.51 3.15 1.08 -1.08 -1.49 115.11 118.08 3fiq h GLN 130 Ca 0.26 -0.46 0.04 0.00 -1.45 0.00 0.00 58.65 57.04 3fiq h GLN 130 Cb 0.15 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 3fiq h GLN 130 CO -0.03 1.08 0.27 1.49 -0.95 0.00 0.00 178.83 180.70 3fiq h GLU 131 N 0.58 0.51 -0.37 1.46 4.81 -0.87 -0.70 114.58 120.00 3fiq h GLU 131 Ca 0.02 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3fiq h GLU 131 Cb 1.11 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3fiq h GLU 131 CO 0.11 0.34 0.20 1.25 -0.73 0.00 0.00 179.01 180.18 3fiq h LEU 132 N 0.53 0.32 -0.91 1.64 5.85 -0.81 -0.15 115.31 121.78 3fiq h LEU 132 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3fiq h LEU 132 Cb 0.11 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3fiq h LEU 132 CO -0.14 0.23 0.58 0.03 -0.34 0.00 0.00 178.44 178.80 3fiq h ARG 133 N 0.42 1.22 -0.59 1.25 3.08 -0.90 -1.19 114.38 117.66 3fiq h ARG 133 Ca 0.15 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 3fiq h ARG 133 Cb 0.03 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 3fiq h ARG 133 CO -0.09 0.83 -0.04 0.87 -1.07 0.00 0.00 179.97 180.47 3fiq h LYS 134 N 1.24 1.06 -0.48 0.04 1.79 -0.72 -2.44 116.57 117.07 3fiq h LYS 134 Ca 0.33 -0.36 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 3fiq h LYS 134 Cb -0.10 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.44 3fiq h LYS 134 CO -0.07 1.06 0.05 -0.07 -1.08 0.00 0.00 179.45 179.34 3fiq h LEU 135 N 0.96 0.79 -0.45 2.94 3.38 -0.75 -1.32 115.31 120.85 3fiq h LEU 135 Ca 0.16 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3fiq h LEU 135 Cb 0.60 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3fiq h LEU 135 CO 0.04 0.87 0.24 0.00 0.09 0.00 0.00 178.44 179.68 3fiq h ALA 136 N 0.95 0.57 -0.55 1.53 0.00 -1.13 0.04 119.26 120.67 3fiq h ALA 136 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3fiq h ALA 136 Cb 0.44 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3fiq h ALA 136 CO 0.02 -0.10 0.31 0.93 0.00 0.00 0.00 179.25 180.40 3fiq h GLU 137 N 0.48 0.58 -0.40 0.00 5.08 -1.01 -0.15 114.58 119.15 3fiq h GLU 137 Ca 0.19 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3fiq h GLU 137 Cb 0.08 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3fiq h GLU 137 CO -0.12 0.38 0.16 0.93 -1.00 0.00 0.00 179.01 179.36 3fiq h GLU 138 N 0.60 0.56 -0.63 2.33 5.08 -0.62 -2.13 114.58 119.77 3fiq h GLU 138 Ca 0.23 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3fiq h GLU 138 Cb 0.09 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3fiq h GLU 138 CO -0.13 0.47 0.00 0.66 -1.00 0.00 0.00 179.01 179.01 3fiq n TYR 139 N -4.38 1.21 -3.55 4.33 4.02 -0.06 -4.94 117.16 113.78 3fiq n TYR 139 Ca 0.03 -0.48 -0.25 0.00 -0.01 0.00 0.00 57.90 57.19 3fiq n TYR 139 Cb 0.14 -0.20 0.07 0.00 -0.02 0.00 0.00 39.34 39.32 3fiq n TYR 139 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3fiq n ASN 140 N 0.88 -6.13 -4.24 7.72 5.15 -0.78 -4.99 115.26 112.87 3fiq n ASN 140 Ca 0.21 -0.53 -0.34 0.00 -0.60 0.00 0.00 54.58 53.32 3fiq n ASN 140 Cb 0.74 -4.85 -0.15 0.00 -0.53 0.00 0.00 39.78 34.99 3fiq n ASN 140 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3fiq s ILE 141 N -3.29 2.66 0.06 -1.44 1.01 -0.14 -4.85 121.20 115.21 3fiq s ILE 141 Ca 0.56 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 60.15 3fiq s ILE 141 Cb -0.25 -2.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 3fiq s ILE 141 CO 0.69 0.50 1.61 -2.84 0.00 0.00 0.00 174.94 174.90 3fiq s PRO 142 N 1.10 4.21 0.56 2.79 0.02 -1.26 -4.07 135.00 138.35 3fiq s PRO 142 Ca 0.00 2.27 0.36 0.00 0.02 0.00 0.00 61.00 63.65 3fiq s PRO 142 Cb -0.14 -3.58 1.68 0.00 0.02 0.00 0.00 34.50 32.47 3fiq s PRO 142 CO -0.04 -0.70 2.08 -0.91 -0.33 0.00 0.00 177.00 177.09 3fiq h ASN 143 N 8.21 0.00 0.60 2.53 2.35 -1.93 -2.08 115.58 125.26 3fiq h ASN 143 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3fiq h ASN 143 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3fiq h ASN 143 CO 0.92 0.00 0.00 -1.84 -1.65 0.00 0.00 177.43 174.86 3fiq n GLU 144 N -3.00 0.16 -0.08 0.81 0.00 -1.26 -1.94 120.64 115.33 3fiq n GLU 144 Ca -0.01 0.09 0.09 0.00 0.00 0.00 0.00 57.16 57.33 3fiq n GLU 144 Cb 0.22 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.49 3fiq n GLU 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3fiq n ASN 145 N -1.39 1.35 -4.73 -1.84 3.02 -0.78 -4.96 115.26 105.93 3fiq n ASN 145 Ca 0.08 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.47 3fiq n ASN 145 Cb 0.22 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 3fiq n ASN 145 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3fiq s THR 146 N -1.78 2.76 -0.17 3.41 2.01 -0.82 -4.45 115.64 116.61 3fiq s THR 146 Ca 0.28 0.58 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 3fiq s THR 146 Cb 0.14 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.28 3fiq s THR 146 CO 0.22 0.06 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.00 3fiq s GLN 147 N 0.53 3.34 -0.34 4.92 -1.52 0.08 -4.99 119.66 121.68 3fiq s GLN 147 Ca 0.65 -0.68 -0.18 0.00 -1.95 0.00 0.00 55.36 53.20 3fiq s GLN 147 Cb -0.42 -2.76 -0.00 0.00 -0.22 0.00 0.00 33.01 29.60 3fiq s GLN 147 CO 0.36 0.02 0.54 -1.58 -0.25 0.00 0.00 175.29 174.37 3fiq s HIS 148 N 0.86 3.18 -0.48 0.91 5.65 -1.26 -1.04 115.29 123.11 3fiq s HIS 148 Ca -0.03 0.25 0.23 0.00 0.25 0.00 0.00 55.06 55.77 3fiq s HIS 148 Cb -0.15 -2.94 0.11 0.00 -1.18 0.00 0.00 32.58 28.42 3fiq s HIS 148 CO 0.00 -0.53 1.10 1.28 -0.65 0.00 0.00 174.74 175.94 3fiq n LEU 149 N 5.78 0.68 -0.23 8.88 4.32 -0.47 -4.49 117.00 131.46 3fiq n LEU 149 Ca -0.04 0.16 0.02 0.00 -0.02 0.00 0.00 56.01 56.13 3fiq n LEU 149 Cb 0.49 -0.11 0.14 0.00 -1.62 0.00 0.00 43.42 42.32 3fiq n LEU 149 CO 0.45 -0.06 1.04 0.58 -1.22 0.00 0.00 177.39 178.18 3fiq h VAL 150 N 0.00 0.80 0.00 4.08 2.07 -1.74 -2.24 116.25 119.21 3fiq h VAL 150 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fiq h VAL 150 Cb 0.83 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3fiq h VAL 150 CO 0.00 0.10 0.00 -0.65 0.02 0.00 0.00 177.57 177.04 3fiq h PRO 151 N 0.52 0.00 -0.40 1.57 0.11 -1.95 -2.19 132.00 129.67 3fiq h PRO 151 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3fiq h PRO 151 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3fiq h PRO 151 CO -0.30 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.74 3fiq n THR 152 N -2.78 1.12 -2.81 -1.15 -2.24 -0.89 -4.90 114.28 100.63 3fiq n THR 152 Ca 0.00 -1.07 -0.43 0.00 -2.27 0.00 0.00 64.05 60.28 3fiq n THR 152 Cb 0.23 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 3fiq n THR 152 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fiq s ASP 153 N -1.07 6.30 0.00 3.42 -1.08 -0.82 -4.76 116.67 118.66 3fiq s ASP 153 Ca 0.29 -1.19 0.04 0.00 -0.52 0.00 0.00 52.55 51.16 3fiq s ASP 153 Cb 0.16 -2.44 0.05 0.00 -1.46 0.00 0.00 42.92 39.23 3fiq s ASP 153 CO 0.18 -1.42 0.75 0.35 0.52 0.00 0.00 175.17 175.55 3fiq n THR 154 N 5.97 0.28 1.27 1.71 -2.24 -1.26 -4.77 114.28 115.24 3fiq n THR 154 Ca 0.06 -0.64 0.13 0.00 -2.27 0.00 0.00 64.05 61.33 3fiq n THR 154 Cb 0.47 0.91 0.39 0.00 -2.10 0.00 0.00 70.33 70.00 3fiq n THR 154 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fiq n ASN 156 N 0.53 1.26 -0.02 0.00 3.02 -1.26 -5.06 115.26 113.74 3fiq n ASN 156 Ca 0.17 -0.44 0.16 0.00 -0.03 0.00 0.00 54.58 54.44 3fiq n ASN 156 Cb 0.42 1.24 0.94 0.00 -0.61 0.00 0.00 39.78 41.77 3fiq n ASN 156 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64