#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6s s LYS 3 N 0.00 3.92 0.01 1.43 1.02 -1.26 -0.67 119.74 124.19 3f6s s LYS 3 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.68 3f6s s LYS 3 Cb 0.00 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 3f6s s LYS 3 CO 0.00 -0.12 -0.03 0.08 -0.92 0.00 0.00 175.35 174.35 3f6s s VAL 4 N 1.56 3.88 -0.14 3.17 1.01 -0.29 -0.45 120.40 129.14 3f6s s VAL 4 Ca 0.07 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3f6s s VAL 4 Cb -0.15 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 3f6s s VAL 4 CO 0.08 0.36 -0.16 -0.22 0.00 0.00 0.00 175.10 175.16 3f6s s LEU 5 N -1.57 2.46 -0.20 3.92 2.96 -0.49 -0.81 118.68 124.95 3f6s s LEU 5 Ca 0.19 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3f6s s LEU 5 Cb -0.11 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3f6s s LEU 5 CO 0.10 0.11 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.47 3f6s s ILE 6 N 0.68 2.53 -0.10 6.68 1.01 0.67 -0.71 121.20 131.97 3f6s s ILE 6 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3f6s s ILE 6 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.18 3f6s s ILE 6 CO 0.02 0.44 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 3f6s s VAL 7 N 1.34 1.79 0.13 2.92 1.01 -0.55 -0.13 120.40 126.90 3f6s s VAL 7 Ca 0.04 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3f6s s VAL 7 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3f6s s VAL 7 CO -0.09 0.50 -0.11 0.72 0.00 0.00 0.00 175.10 176.13 3f6s s PHE 8 N 0.55 1.21 -0.09 5.22 -0.12 -0.81 -1.31 117.98 122.64 3f6s s PHE 8 Ca -0.15 -0.70 0.02 0.00 -0.05 0.00 0.00 56.93 56.04 3f6s s PHE 8 Cb -0.17 -0.63 0.01 0.00 -0.63 0.00 0.00 43.02 41.61 3f6s s PHE 8 CO 0.05 0.06 -0.13 0.20 -0.05 0.00 0.00 175.22 175.35 3f6s s GLY 9 N -2.84 0.88 -0.00 1.99 0.00 0.39 -0.53 107.32 107.21 3f6s s GLY 9 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 3f6s s GLY 9 CO 0.01 0.24 0.14 -0.45 0.00 0.00 0.00 173.10 173.03 3f6s s SER 10 N 0.90 0.01 -0.04 1.64 0.15 -1.26 -3.34 113.70 111.77 3f6s s SER 10 Ca -0.10 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3f6s s SER 10 Cb -0.15 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 3f6s s SER 10 CO 0.01 -0.34 -0.00 -1.20 1.20 0.00 0.00 173.24 172.90 3f6s n SER 11 N 1.60 3.96 -0.03 5.45 7.64 -1.26 -4.73 113.62 126.25 3f6s n SER 11 Ca -0.22 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.66 3f6s n SER 11 Cb 0.56 0.38 0.01 0.00 -1.01 0.00 0.00 64.21 64.14 3f6s n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3f6s n THR 12 N -2.29 0.26 -0.50 0.44 -2.24 -1.26 -5.02 114.28 103.66 3f6s n THR 12 Ca -0.07 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3f6s n THR 12 Cb 0.61 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3f6s n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f6s n GLY 13 N -0.08 0.73 0.14 3.38 0.00 -1.26 -4.98 105.19 103.12 3f6s n GLY 13 Ca 0.01 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 3f6s n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f6s h ASN 14 N 0.00 0.63 -0.56 1.61 2.35 -1.95 -1.05 115.58 116.61 3f6s h ASN 14 Ca 0.00 -0.92 -0.11 0.00 -0.55 0.00 0.00 56.30 54.72 3f6s h ASN 14 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3f6s h ASN 14 CO 0.00 1.64 -0.06 0.74 -1.65 0.00 0.00 177.43 178.09 3f6s h THR 15 N -0.06 1.27 -0.87 2.81 2.02 -1.87 -2.14 112.91 114.06 3f6s h THR 15 Ca -0.26 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 3f6s h THR 15 Cb 1.96 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 69.24 3f6s h THR 15 CO 0.19 0.43 0.46 -0.08 0.37 0.00 0.00 175.52 176.90 3f6s h GLU 16 N 0.92 1.22 -0.61 6.66 4.81 -1.87 0.20 114.58 125.91 3f6s h GLU 16 Ca 0.15 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3f6s h GLU 16 Cb 0.63 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3f6s h GLU 16 CO 0.04 0.90 0.37 1.03 -0.73 0.00 0.00 179.01 180.63 3f6s h SER 17 N 1.22 0.61 -0.38 1.04 0.87 -0.93 0.52 113.55 116.50 3f6s h SER 17 Ca 0.30 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 3f6s h SER 17 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3f6s h SER 17 CO -0.05 0.43 -0.27 0.40 -0.53 0.00 0.00 176.83 176.82 3f6s h ILE 18 N 0.74 1.27 -0.23 2.23 2.04 -0.96 -2.02 117.51 120.59 3f6s h ILE 18 Ca 0.24 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 3f6s h ILE 18 Cb 0.01 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3f6s h ILE 18 CO -0.10 0.48 0.10 0.00 0.00 0.00 0.00 178.15 178.64 3f6s h ALA 19 N 0.93 0.30 -0.49 1.87 0.00 -0.15 0.13 119.26 121.84 3f6s h ALA 19 Ca 0.09 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3f6s h ALA 19 Cb 0.83 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3f6s h ALA 19 CO 0.07 -0.12 0.19 1.96 0.00 0.00 0.00 179.25 181.35 3f6s h GLN 20 N 0.23 0.37 -0.77 0.00 4.20 -0.90 0.51 115.11 118.75 3f6s h GLN 20 Ca 0.08 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3f6s h GLN 20 Cb 0.15 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3f6s h GLN 20 CO -0.01 0.24 0.46 -0.22 -0.67 0.00 0.00 178.83 178.64 3f6s h LYS 21 N 0.38 1.04 -0.28 1.46 1.63 -1.01 -1.20 116.57 118.59 3f6s h LYS 21 Ca 0.23 -0.09 -0.10 0.00 -0.85 0.00 0.00 60.65 59.85 3f6s h LYS 21 Cb 0.22 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3f6s h LYS 21 CO -0.22 0.73 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.24 3f6s h LEU 22 N 1.06 0.66 -1.33 5.20 3.38 -0.11 -2.06 115.31 122.11 3f6s h LEU 22 Ca 0.28 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.90 3f6s h LEU 22 Cb -0.04 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3f6s h LEU 22 CO -0.05 0.96 0.52 -0.08 0.09 0.00 0.00 178.44 179.88 3f6s h GLU 23 N 0.37 0.74 0.09 1.13 4.81 -0.50 0.22 114.58 121.43 3f6s h GLU 23 Ca 0.05 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3f6s h GLU 23 Cb 0.74 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3f6s h GLU 23 CO 0.05 0.49 -0.04 1.49 -0.73 0.00 0.00 179.01 180.27 3f6s h GLU 24 N 0.76 -0.12 -0.56 1.92 4.81 -1.03 -1.53 114.58 118.84 3f6s h GLU 24 Ca 0.36 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3f6s h GLU 24 Cb 0.40 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3f6s h GLU 24 CO -0.14 0.22 0.11 -0.07 -0.73 0.00 0.00 179.01 178.40 3f6s h LEU 25 N -0.47 0.87 -0.52 1.64 3.38 -0.93 -1.20 115.31 118.08 3f6s h LEU 25 Ca -0.01 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 3f6s h LEU 25 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3f6s h LEU 25 CO 0.02 0.89 -0.23 0.40 0.09 0.00 0.00 178.44 179.61 3f6s h ILE 26 N 0.80 1.27 0.00 1.22 2.04 -0.64 -2.17 117.51 120.03 3f6s h ILE 26 Ca 0.17 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 3f6s h ILE 26 Cb 0.38 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 3f6s h ILE 26 CO 0.01 0.48 -0.16 0.00 0.00 0.00 0.00 178.15 178.48 3f6s h ALA 27 N 0.90 1.39 -0.11 1.87 0.00 -1.17 -1.71 119.26 120.43 3f6s h ALA 27 Ca 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3f6s h ALA 27 Cb 0.80 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3f6s h ALA 27 CO 0.07 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.37 3f6s h ALA 28 N 1.84 1.55 0.00 0.00 0.00 -0.55 -0.96 119.26 121.15 3f6s h ALA 28 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f6s h ALA 28 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3f6s h ALA 28 CO 0.02 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3f6s n GLY 29 N -0.90 -0.65 2.04 0.00 0.00 -0.65 -4.86 105.19 100.18 3f6s n GLY 29 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 3f6s n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6s n GLY 30 N 0.29 0.45 3.91 -0.02 0.00 -0.36 -5.02 105.19 104.43 3f6s n GLY 30 Ca 0.14 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3f6s n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f6s s HIS 31 N -2.07 3.51 -0.48 1.61 4.02 -1.20 -4.52 115.29 116.17 3f6s s HIS 31 Ca 0.00 0.36 -0.19 0.00 1.02 0.00 0.00 55.06 56.25 3f6s s HIS 31 Cb 0.00 -1.85 0.05 0.00 -1.02 0.00 0.00 32.58 29.76 3f6s s HIS 31 CO 0.00 0.55 0.58 -1.21 1.02 0.00 0.00 174.74 175.68 3f6s s GLU 32 N -2.47 3.13 0.28 1.40 2.02 0.15 -4.18 118.70 119.04 3f6s s GLU 32 Ca 0.36 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.56 3f6s s GLU 32 Cb -0.13 -4.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.02 3f6s s GLU 32 CO 0.26 -1.11 0.42 0.14 0.02 0.00 0.00 175.26 174.98 3f6s s VAL 33 N 2.49 4.79 -0.07 2.63 -7.23 -1.26 -1.14 120.40 120.61 3f6s s VAL 33 Ca 0.15 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 3f6s s VAL 33 Cb -0.19 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.10 3f6s s VAL 33 CO 0.13 -0.28 0.01 -0.89 -0.31 0.00 0.00 175.10 173.76 3f6s s THR 34 N -2.08 0.32 -0.26 5.32 2.01 0.01 -4.90 115.64 116.05 3f6s s THR 34 Ca 0.39 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 3f6s s THR 34 Cb -0.09 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 71.95 3f6s s THR 34 CO 0.30 0.25 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.26 3f6s s LEU 35 N 1.98 3.42 -0.04 4.42 2.96 -1.26 -0.24 118.68 129.93 3f6s s LEU 35 Ca 0.05 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 3f6s s LEU 35 Cb -0.12 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3f6s s LEU 35 CO -0.05 -0.14 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.59 3f6s s LEU 36 N 1.40 1.30 -0.00 -0.68 0.20 0.81 -5.00 118.68 116.70 3f6s s LEU 36 Ca 0.01 -0.09 -0.30 0.00 0.69 0.00 0.00 54.13 54.44 3f6s s LEU 36 Cb -0.17 -0.37 -0.05 0.00 -0.43 0.00 0.00 46.19 45.18 3f6s s LEU 36 CO -0.02 -0.07 1.28 0.21 -0.29 0.00 0.00 176.35 177.47 3f6s s ASN 37 N 0.91 6.97 0.45 3.68 3.84 -1.26 -1.92 114.94 127.61 3f6s s ASN 37 Ca -0.11 1.99 0.29 0.00 0.21 0.00 0.00 52.86 55.24 3f6s s ASN 37 Cb -0.14 -2.56 1.37 0.00 -0.55 0.00 0.00 41.25 39.37 3f6s s ASN 37 CO -0.00 -0.61 1.69 0.00 -2.79 0.00 0.00 177.10 175.38 3f6s h ALA 38 N 7.44 2.73 -1.00 1.71 0.00 -1.15 1.07 119.26 130.06 3f6s h ALA 38 Ca -0.37 0.06 0.17 0.00 0.00 0.00 0.00 54.91 54.77 3f6s h ALA 38 Cb 1.18 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 3f6s h ALA 38 CO 0.87 -1.24 0.62 0.00 0.00 0.00 0.00 179.25 179.50 3f6s h ALA 39 N 1.53 1.66 -0.52 0.00 0.00 -1.82 0.72 119.26 120.83 3f6s h ALA 39 Ca 0.73 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.62 3f6s h ALA 39 Cb 2.30 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 3f6s h ALA 39 CO -0.29 0.02 0.09 -0.25 0.00 0.00 0.00 179.25 178.82 3f6s n ASP 40 N -4.69 4.61 -4.51 0.00 8.00 0.37 -4.90 116.55 115.43 3f6s n ASP 40 Ca 0.21 -2.85 -0.34 0.00 0.71 0.00 0.00 54.79 52.53 3f6s n ASP 40 Cb 0.50 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.81 3f6s n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f6s s ALA 41 N -2.46 3.07 -0.34 2.24 0.00 0.25 -4.90 121.76 119.61 3f6s s ALA 41 Ca 0.44 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 3f6s s ALA 41 Cb 0.34 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3f6s s ALA 41 CO 0.12 0.14 0.30 -1.12 0.00 0.00 0.00 175.76 175.20 3f6s s SER 42 N 0.47 6.11 0.30 0.00 0.01 -1.26 -4.99 113.70 114.35 3f6s s SER 42 Ca -0.02 -0.35 0.07 0.00 1.31 0.00 0.00 55.95 56.95 3f6s s SER 42 Cb -0.14 -2.16 0.81 0.00 0.21 0.00 0.00 66.02 64.73 3f6s s SER 42 CO 0.02 -0.29 1.71 0.00 0.41 0.00 0.00 173.24 175.10 3f6s h ALA 43 N 8.48 1.61 -1.61 1.44 0.00 -1.93 -3.37 119.26 123.88 3f6s h ALA 43 Ca -0.31 0.14 -0.64 0.00 0.00 0.00 0.00 54.91 54.11 3f6s h ALA 43 Cb 1.15 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3f6s h ALA 43 CO 0.66 -0.31 1.32 -1.91 0.00 0.00 0.00 179.25 179.01 3f6s n GLU 44 N -4.97 1.64 -4.03 0.00 4.07 -1.26 -2.58 120.64 113.50 3f6s n GLU 44 Ca 0.24 0.51 -0.31 0.00 -0.06 0.00 0.00 57.16 57.54 3f6s n GLU 44 Cb 0.70 -2.69 -0.00 0.00 -0.06 0.00 0.00 31.44 29.39 3f6s n GLU 44 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3f6s n ASN 45 N 9.13 -3.31 0.12 4.31 3.02 -0.20 -4.86 115.26 123.46 3f6s n ASN 45 Ca 0.32 -0.91 0.01 0.00 -0.03 0.00 0.00 54.58 53.98 3f6s n ASN 45 Cb 0.30 -3.33 0.35 0.00 -0.61 0.00 0.00 39.78 36.49 3f6s n ASN 45 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3f6s h LEU 46 N -1.81 0.21 0.00 3.41 5.85 -1.23 -3.08 115.31 118.66 3f6s h LEU 46 Ca -0.59 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.07 3f6s h LEU 46 Cb 1.38 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3f6s h LEU 46 CO 0.70 0.45 -0.56 0.00 -0.34 0.00 0.00 178.44 178.69 3f6s n ALA 47 N -2.48 3.42 -1.70 1.25 0.00 -0.85 -4.90 120.51 115.24 3f6s n ALA 47 Ca -0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 3f6s n ALA 47 Cb 0.33 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 3f6s n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f6s s ASP 48 N -3.30 6.00 0.00 0.00 1.11 -1.17 -1.64 116.67 117.67 3f6s s ASP 48 Ca 0.10 2.18 0.00 0.00 0.18 0.00 0.00 52.55 55.01 3f6s s ASP 48 Cb 0.16 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.63 3f6s s ASP 48 CO 0.71 -1.48 0.00 0.61 1.18 0.00 0.00 175.17 176.19 3f6s n GLY 49 N 5.09 1.93 3.81 0.21 0.00 -1.26 -5.10 105.19 109.87 3f6s n GLY 49 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3f6s n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f6s s TYR 50 N -2.16 3.42 0.10 1.61 1.51 -0.65 -4.77 117.35 116.41 3f6s s TYR 50 Ca 0.00 0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 56.34 3f6s s TYR 50 Cb 0.00 -1.85 -0.16 0.00 -0.11 0.00 0.00 41.96 39.83 3f6s s TYR 50 CO 0.00 0.62 1.24 -0.44 -1.11 0.00 0.00 175.55 175.87 3f6s h ASP 51 N 4.79 0.69 -5.03 2.29 3.32 -1.07 -3.47 116.42 117.94 3f6s h ASP 51 Ca -0.52 -0.56 -0.16 0.00 0.02 0.00 0.00 57.03 55.80 3f6s h ASP 51 Cb 1.21 -0.21 -0.19 0.00 0.22 0.00 0.00 39.33 40.35 3f6s h ASP 51 CO 0.59 1.37 -0.70 0.00 -1.72 0.00 0.00 179.24 178.78 3f6s s ALA 52 N -3.24 0.25 -0.08 3.45 0.00 -1.24 -3.18 121.76 117.72 3f6s s ALA 52 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3f6s s ALA 52 Cb 0.08 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3f6s s ALA 52 CO 0.89 -0.20 -0.15 0.08 0.00 0.00 0.00 175.76 176.38 3f6s s VAL 53 N -2.07 1.37 -0.21 0.00 1.01 -0.34 -1.39 120.40 118.77 3f6s s VAL 53 Ca -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3f6s s VAL 53 Cb -0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3f6s s VAL 53 CO -0.03 0.41 -0.06 -0.76 0.00 0.00 0.00 175.10 174.66 3f6s s LEU 54 N 0.68 2.85 -0.25 3.92 1.43 0.11 -1.98 118.68 125.45 3f6s s LEU 54 Ca -0.14 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 3f6s s LEU 54 Cb -0.16 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3f6s s LEU 54 CO 0.04 0.00 0.09 -0.36 0.23 0.00 0.00 176.35 176.35 3f6s s PHE 55 N 1.34 3.11 -0.08 0.29 0.40 -0.21 -1.49 117.98 121.34 3f6s s PHE 55 Ca 0.04 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 3f6s s PHE 55 Cb -0.14 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 3f6s s PHE 55 CO -0.03 -0.32 -0.11 0.20 0.70 0.00 0.00 175.22 175.66 3f6s s GLY 56 N 1.63 1.60 -0.29 4.36 0.00 -0.43 -1.70 107.32 112.49 3f6s s GLY 56 Ca 0.06 -0.92 -0.14 0.00 0.00 0.00 0.00 44.72 43.72 3f6s s GLY 56 CO 0.05 -0.54 0.74 0.00 0.00 0.00 0.00 173.10 173.34 3f6s s SER 58 N 2.00 6.07 0.08 0.00 1.04 -1.21 -4.50 113.70 117.17 3f6s s SER 58 Ca -0.08 0.77 0.05 0.00 0.48 0.00 0.00 55.95 57.17 3f6s s SER 58 Cb -0.07 -2.03 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 3f6s s SER 58 CO -0.19 -0.68 -0.05 0.00 0.98 0.00 0.00 173.24 173.30 3f6s s ALA 59 N -2.74 3.10 -0.00 5.32 0.00 -1.26 -1.49 121.76 124.69 3f6s s ALA 59 Ca 0.48 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.30 3f6s s ALA 59 Cb -0.10 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3f6s s ALA 59 CO 0.43 0.66 0.78 0.91 0.00 0.00 0.00 175.76 178.54 3f6s n TRP 60 N 0.81 0.00 -3.55 0.00 7.02 0.14 -4.92 117.44 116.94 3f6s n TRP 60 Ca -0.13 -0.05 -0.37 0.00 -1.02 0.00 0.00 57.50 55.93 3f6s n TRP 60 Cb 0.52 -0.03 -0.06 0.00 -2.42 0.00 0.00 31.31 29.32 3f6s n TRP 60 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3f6s s GLY 61 N -0.61 2.33 -0.11 6.99 0.00 -1.24 -4.88 107.32 109.80 3f6s s GLY 61 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 3f6s s GLY 61 CO 0.00 0.23 0.35 1.98 0.00 0.00 0.00 173.10 175.65 3f6s h MET 62 N 5.65 -0.04 0.02 2.90 4.05 -1.97 -3.41 114.93 122.13 3f6s h MET 62 Ca -0.47 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.95 3f6s h MET 62 Cb 1.20 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 3f6s h MET 62 CO 0.67 0.32 -0.01 0.93 0.23 0.00 0.00 176.91 179.05 3f6s h GLU 63 N -0.99 -0.02 0.00 0.39 5.08 -2.02 -3.40 114.58 113.61 3f6s h GLU 63 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3f6s h GLU 63 Cb 0.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.66 3f6s h GLU 63 CO 0.01 0.13 -0.01 -0.25 -1.00 0.00 0.00 179.01 177.88 3f6s n ASP 64 N -4.77 1.09 -4.68 1.42 9.92 -1.26 -4.86 116.55 113.41 3f6s n ASP 64 Ca -0.02 -1.81 -0.42 0.00 -0.53 0.00 0.00 54.79 52.01 3f6s n ASP 64 Cb 0.08 -0.27 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 3f6s n ASP 64 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3f6s s LEU 65 N 0.00 4.20 -0.15 0.64 1.98 -1.26 -4.17 118.68 119.92 3f6s s LEU 65 Ca 0.35 1.30 -0.02 0.00 -2.89 0.00 0.00 54.13 52.87 3f6s s LEU 65 Cb -0.03 -3.34 0.05 0.00 0.66 0.00 0.00 46.19 43.53 3f6s s LEU 65 CO 0.23 -0.41 0.02 -0.70 -1.89 0.00 0.00 176.35 173.60 3f6s s GLU 66 N 2.07 0.66 0.46 1.98 2.12 -1.26 -4.86 118.70 119.87 3f6s s GLU 66 Ca 0.42 -0.24 -0.22 0.00 0.36 0.00 0.00 54.97 55.29 3f6s s GLU 66 Cb -0.17 -1.73 -0.08 0.00 0.26 0.00 0.00 34.13 32.41 3f6s s GLU 66 CO 0.14 -0.52 1.08 -1.64 -0.54 0.00 0.00 175.26 173.78 3f6s s MET 67 N 1.89 3.84 0.14 4.30 -1.94 -1.26 0.28 119.30 126.55 3f6s s MET 67 Ca 0.01 1.51 -0.34 0.00 -1.71 0.00 0.00 55.69 55.16 3f6s s MET 67 Cb -0.15 -2.27 -0.15 0.00 2.01 0.00 0.00 34.83 34.26 3f6s s MET 67 CO -0.07 -0.43 1.36 0.94 -0.01 0.00 0.00 175.02 176.81 3f6s n GLN 68 N -0.66 1.48 -0.35 2.03 0.00 -0.55 -4.70 117.38 114.63 3f6s n GLN 68 Ca 0.08 0.53 0.08 0.00 -0.00 0.00 0.00 57.00 57.69 3f6s n GLN 68 Cb 0.51 -2.17 0.24 0.00 0.00 0.00 0.00 30.24 28.82 3f6s n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 3f6s h ASP 69 N 4.54 0.87 0.11 1.69 -0.00 -1.93 -0.74 116.42 120.97 3f6s h ASP 69 Ca -0.46 0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 56.62 3f6s h ASP 69 Cb 1.31 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 3f6s h ASP 69 CO 0.78 0.44 -0.05 0.44 -0.00 0.00 0.00 179.24 180.85 3f6s h ASP 70 N 0.93 -0.13 0.11 2.28 3.32 -1.94 -2.92 116.42 118.07 3f6s h ASP 70 Ca 0.50 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 3f6s h ASP 70 Cb 0.55 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3f6s h ASP 70 CO -0.29 0.09 -0.25 0.15 -1.72 0.00 0.00 179.24 177.22 3f6s h PHE 71 N -0.34 0.28 -0.24 4.55 3.57 -1.74 -3.14 116.94 119.86 3f6s h PHE 71 Ca -0.02 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.48 3f6s h PHE 71 Cb 0.28 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3f6s h PHE 71 CO -0.01 0.49 -0.06 1.25 -2.23 0.00 0.00 178.31 177.76 3f6s h LEU 72 N 0.23 -0.22 -1.52 0.59 5.85 -1.03 0.54 115.31 119.76 3f6s h LEU 72 Ca 0.04 0.07 0.24 0.00 0.84 0.00 0.00 57.88 59.07 3f6s h LEU 72 Cb 0.58 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 3f6s h LEU 72 CO 0.04 -0.08 0.64 0.28 -0.34 0.00 0.00 178.44 178.99 3f6s h SER 73 N 0.01 0.37 0.05 1.25 0.02 -1.47 0.16 113.55 113.94 3f6s h SER 73 Ca 0.12 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3f6s h SER 73 Cb 0.18 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.71 3f6s h SER 73 CO -0.25 0.12 -0.44 0.25 -1.14 0.00 0.00 176.83 175.37 3f6s h LEU 74 N 0.36 0.31 -1.05 5.07 5.85 -0.89 -3.31 115.31 121.65 3f6s h LEU 74 Ca 0.52 -0.87 0.13 0.00 0.84 0.00 0.00 57.88 58.49 3f6s h LEU 74 Cb 1.38 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.23 3f6s h LEU 74 CO -0.20 1.15 0.62 0.15 -0.34 0.00 0.00 178.44 179.83 3f6s h PHE 75 N -0.49 1.09 -0.02 1.25 3.57 0.66 0.85 116.94 123.85 3f6s h PHE 75 Ca -0.07 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 3f6s h PHE 75 Cb 1.26 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 3f6s h PHE 75 CO 0.20 0.42 0.12 0.93 -2.23 0.00 0.00 178.31 177.74 3f6s h GLU 76 N 0.94 0.00 -0.15 1.11 5.08 -1.07 -2.15 114.58 118.33 3f6s h GLU 76 Ca 0.50 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.77 3f6s h GLU 76 Cb 0.55 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 3f6s h GLU 76 CO -0.26 0.00 -0.40 0.39 -1.00 0.00 0.00 179.01 177.74 3f6s n GLU 77 N -3.13 1.78 0.23 2.33 1.02 0.28 -4.77 120.64 118.38 3f6s n GLU 77 Ca -0.02 -3.33 0.12 0.00 -0.02 0.00 0.00 57.16 53.90 3f6s n GLU 77 Cb 0.19 -1.72 0.72 0.00 -0.02 0.00 0.00 31.44 30.61 3f6s n GLU 77 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3f6s h PHE 78 N 1.08 0.00 0.00 -0.32 -1.00 -1.23 -1.69 116.94 113.78 3f6s h PHE 78 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 3f6s h PHE 78 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3f6s h PHE 78 CO 0.85 0.00 0.00 0.38 -1.61 0.00 0.00 178.31 177.93 3f6s h ASP 79 N 0.00 0.00 -0.01 2.17 2.03 -1.86 -2.98 116.42 115.77 3f6s h ASP 79 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3f6s h ASP 79 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 3f6s h ASP 79 CO -0.00 0.00 -0.47 0.54 -1.03 0.00 0.00 179.24 178.28 3f6s n ARG 80 N -2.46 1.25 0.03 4.15 1.74 -0.63 -4.45 116.66 116.29 3f6s n ARG 80 Ca 0.01 -0.95 -0.11 0.00 -0.77 0.00 0.00 57.85 56.04 3f6s n ARG 80 Cb 0.24 -1.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 3f6s n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3f6s h ILE 81 N 2.30 1.35 -1.27 0.55 2.04 -1.50 -0.50 117.51 120.47 3f6s h ILE 81 Ca 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3f6s h ILE 81 Cb 0.72 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 3f6s h ILE 81 CO 0.00 0.63 0.00 0.61 0.00 0.00 0.00 178.15 179.39 3f6s n GLY 82 N 0.52 0.82 0.10 5.37 0.00 -1.26 -2.00 105.19 108.74 3f6s n GLY 82 Ca -0.05 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3f6s n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3f6s h LEU 83 N 0.00 0.18 -4.71 0.99 3.38 -1.84 -3.44 115.31 109.87 3f6s h LEU 83 Ca 0.00 -0.34 -0.46 0.00 0.09 0.00 0.00 57.88 57.18 3f6s h LEU 83 Cb 0.46 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3f6s h LEU 83 CO 0.00 1.29 0.44 0.00 0.09 0.00 0.00 178.44 180.26 3f6s n ALA 84 N -2.67 -0.55 -0.95 1.53 0.00 -1.04 0.51 120.51 117.35 3f6s n ALA 84 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3f6s n ALA 84 Cb 1.04 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3f6s n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6s n GLY 85 N 2.53 0.75 3.90 0.00 0.00 0.37 -4.87 105.19 107.87 3f6s n GLY 85 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3f6s n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f6s s ARG 86 N -0.18 3.49 0.39 1.61 0.52 0.18 -4.80 118.95 120.17 3f6s s ARG 86 Ca 0.00 -0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 54.71 3f6s s ARG 86 Cb 0.00 -3.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 3f6s s ARG 86 CO 0.00 0.66 1.20 0.15 0.02 0.00 0.00 175.30 177.33 3f6s s LYS 87 N -1.94 4.07 -0.07 3.54 1.02 -1.19 -1.34 119.74 123.83 3f6s s LYS 87 Ca 0.28 1.93 -0.12 0.00 0.02 0.00 0.00 55.97 58.08 3f6s s LYS 87 Cb -0.13 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 34.47 3f6s s LYS 87 CO 0.18 -0.33 0.30 0.08 -0.92 0.00 0.00 175.35 174.67 3f6s s VAL 88 N -1.35 0.03 0.05 3.17 1.01 -0.17 -1.20 120.40 121.93 3f6s s VAL 88 Ca 0.56 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 3f6s s VAL 88 Cb -0.33 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3f6s s VAL 88 CO 0.42 -0.13 0.19 0.00 0.00 0.00 0.00 175.10 175.58 3f6s s ALA 89 N -0.52 -0.33 0.24 5.51 0.00 -0.84 -2.03 121.76 123.80 3f6s s ALA 89 Ca -0.06 -0.34 0.11 0.00 0.00 0.00 0.00 51.96 51.67 3f6s s ALA 89 Cb -0.04 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 3f6s s ALA 89 CO 0.02 -0.38 -0.19 0.00 0.00 0.00 0.00 175.76 175.21 3f6s s ALA 90 N -2.75 2.50 0.24 0.00 0.00 -1.26 -1.05 121.76 119.45 3f6s s ALA 90 Ca -0.04 -1.77 -0.17 0.00 0.00 0.00 0.00 51.96 49.98 3f6s s ALA 90 Cb -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3f6s s ALA 90 CO -0.05 0.25 0.59 -0.59 0.00 0.00 0.00 175.76 175.96 3f6s s PHE 91 N -2.47 0.00 -0.18 0.00 -0.71 -0.69 -1.53 117.98 112.40 3f6s s PHE 91 Ca 0.26 -0.39 -0.35 0.00 -1.04 0.00 0.00 56.93 55.41 3f6s s PHE 91 Cb -0.04 0.46 0.14 0.00 -1.21 0.00 0.00 43.02 42.36 3f6s s PHE 91 CO 0.12 -1.07 1.19 0.00 -1.34 0.00 0.00 175.22 174.12 3f6s s ALA 92 N -3.94 -2.06 0.01 1.99 0.00 -0.36 -2.70 121.76 114.70 3f6s s ALA 92 Ca 0.14 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.68 3f6s s ALA 92 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3f6s s ALA 92 CO 0.05 -0.59 0.09 0.45 0.00 0.00 0.00 175.76 175.76 3f6s s SER 93 N -2.15 5.70 0.36 0.00 0.15 -1.26 -2.45 113.70 114.05 3f6s s SER 93 Ca 0.09 0.13 -0.17 0.00 0.70 0.00 0.00 55.95 56.71 3f6s s SER 93 Cb -0.01 -1.63 0.05 0.00 -1.71 0.00 0.00 66.02 62.72 3f6s s SER 93 CO -0.05 0.25 0.79 -0.83 1.20 0.00 0.00 173.24 174.61 3f6s s GLY 94 N -1.86 0.29 -0.12 9.45 0.00 0.71 -4.31 107.32 111.47 3f6s s GLY 94 Ca 0.24 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.31 3f6s s GLY 94 CO 0.16 -0.16 -0.18 -0.35 0.00 0.00 0.00 173.10 172.57 3f6s s ASP 95 N -3.06 2.74 0.17 1.64 -1.08 -1.26 -4.04 116.67 111.76 3f6s s ASP 95 Ca 0.15 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 51.85 3f6s s ASP 95 Cb -0.05 -1.24 0.79 0.00 -1.46 0.00 0.00 42.92 40.95 3f6s s ASP 95 CO 0.10 0.04 1.54 0.00 0.52 0.00 0.00 175.17 177.37 3f6s n GLN 96 N 4.19 0.11 -0.30 4.34 6.02 -1.26 -2.09 117.38 128.39 3f6s n GLN 96 Ca -0.19 0.43 0.02 0.00 -0.01 0.00 0.00 57.00 57.25 3f6s n GLN 96 Cb 0.51 -1.74 0.13 0.00 1.02 0.00 0.00 30.24 30.16 3f6s n GLN 96 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3f6s n GLU 97 N -1.95 2.22 -4.65 -1.09 1.02 -1.26 -4.83 120.64 110.10 3f6s n GLU 97 Ca 0.01 -1.02 -0.31 0.00 -0.02 0.00 0.00 57.16 55.82 3f6s n GLU 97 Cb 0.14 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.76 3f6s n GLU 97 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3f6s s TYR 98 N -1.54 1.99 -0.09 -0.32 1.51 -0.89 -5.07 117.35 112.94 3f6s s TYR 98 Ca 0.18 -0.88 0.15 0.00 -1.01 0.00 0.00 57.07 55.50 3f6s s TYR 98 Cb 0.14 -1.68 -0.13 0.00 -0.11 0.00 0.00 41.96 40.18 3f6s s TYR 98 CO 0.05 0.22 0.93 1.49 -1.11 0.00 0.00 175.55 177.12 3f6s h GLU 99 N 1.38 0.00 -2.29 -0.62 4.81 -1.87 -3.39 114.58 112.61 3f6s h GLU 99 Ca -0.43 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.20 3f6s h GLU 99 Cb 1.30 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.27 3f6s h GLU 99 CO 0.74 0.43 -0.57 0.72 -0.73 0.00 0.00 179.01 179.61 3f6s n HIS 100 N -3.02 4.00 -1.48 0.92 8.25 -1.26 -5.03 115.22 117.60 3f6s n HIS 100 Ca -0.09 -3.94 -0.55 0.00 -0.26 0.00 0.00 57.72 52.88 3f6s n HIS 100 Cb 0.88 -0.52 -0.08 0.00 1.12 0.00 0.00 29.99 31.39 3f6s n HIS 100 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f6s n PHE 101 N -0.21 1.64 -2.81 4.41 7.35 -1.26 0.46 117.46 127.05 3f6s n PHE 101 Ca 0.32 0.46 -0.10 0.00 -0.76 0.00 0.00 57.45 57.37 3f6s n PHE 101 Cb 0.39 -2.46 -0.01 0.00 0.35 0.00 0.00 39.48 37.75 3f6s n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f6s n GLY 103 N -0.70 -0.05 0.11 0.00 0.00 0.17 -0.31 105.19 104.41 3f6s n GLY 103 Ca -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3f6s n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6s h ALA 104 N 1.93 0.65 0.47 4.61 0.00 -1.84 -3.32 119.26 121.76 3f6s h ALA 104 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3f6s h ALA 104 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f6s h ALA 104 CO 0.00 0.00 -0.22 0.28 0.00 0.00 0.00 179.25 179.31 3f6s h VAL 105 N 0.00 0.49 -0.68 0.00 2.07 -0.95 -2.27 116.25 114.91 3f6s h VAL 105 Ca 0.00 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3f6s h VAL 105 Cb 0.87 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3f6s h VAL 105 CO 0.00 0.05 0.29 1.55 0.02 0.00 0.00 177.57 179.48 3f6s h PRO 106 N -0.84 0.98 -0.76 1.57 0.13 -1.77 -1.04 132.00 130.28 3f6s h PRO 106 Ca -0.06 -0.15 0.07 0.00 -0.87 0.00 0.00 66.00 64.98 3f6s h PRO 106 Cb 0.57 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.46 3f6s h PRO 106 CO 0.11 0.79 0.44 0.00 -0.23 0.00 0.00 178.00 179.10 3f6s h ALA 107 N 1.34 1.05 -0.06 -0.56 0.00 -1.65 0.21 119.26 119.59 3f6s h ALA 107 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3f6s h ALA 107 Cb 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f6s h ALA 107 CO -0.02 0.12 -0.01 0.82 0.00 0.00 0.00 179.25 180.15 3f6s h ILE 108 N 0.79 1.29 0.39 0.00 2.04 -1.17 -2.71 117.51 118.13 3f6s h ILE 108 Ca 0.35 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3f6s h ILE 108 Cb 0.24 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3f6s h ILE 108 CO -0.20 0.25 -0.43 -0.33 0.00 0.00 0.00 178.15 177.43 3f6s h GLU 109 N -0.21 -0.82 0.02 2.37 5.08 -0.50 -1.60 114.58 118.92 3f6s h GLU 109 Ca 0.02 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3f6s h GLU 109 Cb 0.40 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3f6s h GLU 109 CO 0.01 -0.55 -0.36 0.93 -1.00 0.00 0.00 179.01 178.04 3f6s h GLU 110 N -0.85 -0.45 -1.01 2.33 3.07 -0.71 0.83 114.58 117.79 3f6s h GLU 110 Ca -0.03 0.03 0.27 0.00 -0.50 0.00 0.00 59.36 59.13 3f6s h GLU 110 Cb 0.76 0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.71 3f6s h GLU 110 CO -0.09 -0.30 0.69 -0.09 -1.40 0.00 0.00 179.01 177.83 3f6s h ARG 111 N -0.47 0.19 -0.15 2.33 9.65 -1.49 0.14 114.38 124.58 3f6s h ARG 111 Ca 0.00 -0.01 -0.22 0.00 -1.10 0.00 0.00 59.98 58.65 3f6s h ARG 111 Cb 0.49 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3f6s h ARG 111 CO -0.23 0.13 -0.78 0.00 2.80 0.00 0.00 179.97 181.89 3f6s h ALA 112 N 1.55 0.33 0.00 2.80 0.00 -0.24 -2.62 119.26 121.08 3f6s h ALA 112 Ca 0.52 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3f6s h ALA 112 Cb 1.68 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3f6s h ALA 112 CO -0.13 0.69 -0.16 0.87 0.00 0.00 0.00 179.25 180.52 3f6s h LYS 113 N 0.53 0.00 0.00 0.00 1.57 0.15 0.34 116.57 119.16 3f6s h LYS 113 Ca -0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3f6s h LYS 113 Cb 1.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 3f6s h LYS 113 CO 0.16 0.16 -0.56 0.93 -0.57 0.00 0.00 179.45 179.56 3f6s h GLU 114 N 0.00 0.00 -0.72 3.15 5.08 -0.64 -3.15 114.58 118.30 3f6s h GLU 114 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3f6s h GLU 114 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3f6s h GLU 114 CO 0.02 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.87 3f6s n LEU 115 N -3.35 4.31 0.00 1.33 4.77 -1.01 -4.94 117.00 118.12 3f6s n LEU 115 Ca 0.01 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 3f6s n LEU 115 Cb 0.71 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3f6s n LEU 115 CO 0.41 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3f6s n GLY 116 N 1.49 0.78 3.80 -0.72 0.00 -1.10 -2.48 105.19 106.96 3f6s n GLY 116 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 3f6s n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f6s s ALA 117 N -2.00 3.21 -0.27 4.61 0.00 0.09 -0.48 121.76 126.92 3f6s s ALA 117 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 3f6s s ALA 117 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 3f6s s ALA 117 CO 0.00 0.20 0.26 0.99 0.00 0.00 0.00 175.76 177.21 3f6s s THR 118 N -1.74 5.26 -0.12 0.00 2.01 -0.45 -4.09 115.64 116.51 3f6s s THR 118 Ca 0.52 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 3f6s s THR 118 Cb -0.16 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 3f6s s THR 118 CO 0.21 0.23 1.18 -0.63 -0.69 0.00 0.00 174.62 174.91 3f6s s ILE 119 N 1.75 4.38 -1.61 1.82 -1.09 -1.26 -1.00 121.20 124.20 3f6s s ILE 119 Ca 0.11 1.68 0.16 0.00 -2.23 0.00 0.00 60.65 60.37 3f6s s ILE 119 Cb -0.16 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 3f6s s ILE 119 CO 0.10 -0.07 0.89 2.30 -1.23 0.00 0.00 174.94 176.93 3f6s n ILE 120 N 4.95 0.00 -3.65 2.92 -5.35 -0.86 -4.92 119.36 112.45 3f6s n ILE 120 Ca 0.12 -0.38 -0.14 0.00 -0.27 0.00 0.00 62.75 62.08 3f6s n ILE 120 Cb 0.46 1.23 -0.07 0.00 -1.74 0.00 0.00 39.64 39.52 3f6s n ILE 120 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3f6s s ALA 121 N -1.73 -1.15 -0.07 -1.28 0.00 -1.26 -4.68 121.76 111.58 3f6s s ALA 121 Ca 0.15 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3f6s s ALA 121 Cb 0.13 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 3f6s s ALA 121 CO 0.34 -0.39 1.42 -2.00 0.00 0.00 0.00 175.76 175.13 3f6s s GLU 122 N -1.88 4.24 0.41 0.00 2.12 -1.26 -4.76 118.70 117.58 3f6s s GLU 122 Ca -0.09 1.92 -0.23 0.00 0.36 0.00 0.00 54.97 56.93 3f6s s GLU 122 Cb -0.02 -3.75 -0.12 0.00 0.26 0.00 0.00 34.13 30.50 3f6s s GLU 122 CO 0.02 -0.69 0.73 0.41 -0.54 0.00 0.00 175.26 175.19 3f6s n GLY 123 N 3.76 -1.00 3.69 -1.50 0.00 -1.26 -4.94 105.19 103.94 3f6s n GLY 123 Ca 0.14 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3f6s n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f6s s LEU 124 N 0.89 4.17 -0.21 0.99 2.96 -0.58 -4.96 118.68 121.94 3f6s s LEU 124 Ca 0.63 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.88 3f6s s LEU 124 Cb -0.60 -2.28 0.06 0.00 0.50 0.00 0.00 46.19 43.86 3f6s s LEU 124 CO 0.57 0.05 -0.04 -0.54 -1.32 0.00 0.00 176.35 175.08 3f6s s LYS 125 N 0.88 1.40 0.26 1.98 1.02 -1.26 -1.23 119.74 122.79 3f6s s LYS 125 Ca 0.13 -0.78 0.06 0.00 0.02 0.00 0.00 55.97 55.40 3f6s s LYS 125 Cb -0.13 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3f6s s LYS 125 CO 0.04 -0.57 0.22 0.00 -0.92 0.00 0.00 175.35 174.12 3f6s n MET 126 N 4.79 0.33 -4.38 1.68 0.00 -1.02 -5.03 117.12 113.48 3f6s n MET 126 Ca -0.11 -2.65 -0.26 0.00 0.00 0.00 0.00 57.70 54.68 3f6s n MET 126 Cb 0.45 2.17 -0.10 0.00 0.00 0.00 0.00 33.22 35.75 3f6s n MET 126 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3f6s s GLU 127 N -3.08 1.82 2.82 3.17 2.02 -1.26 -0.21 118.70 123.99 3f6s s GLU 127 Ca 0.32 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.82 3f6s s GLU 127 Cb 0.02 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.28 3f6s s GLU 127 CO 0.22 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.30 3f6s n GLY 128 N -0.14 0.58 3.33 -1.39 0.00 -1.26 -4.60 105.19 101.71 3f6s n GLY 128 Ca -0.10 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 3f6s n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3f6s n ASP 129 N -2.74 0.20 0.16 1.61 3.85 -1.26 -4.68 116.55 113.68 3f6s n ASP 129 Ca 0.00 -1.47 0.11 0.00 -0.71 0.00 0.00 54.79 52.72 3f6s n ASP 129 Cb 0.00 -0.85 0.64 0.00 -1.35 0.00 0.00 41.12 39.56 3f6s n ASP 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f6s h ALA 130 N -1.70 2.13 -0.01 2.12 0.00 -1.78 -1.37 119.26 118.66 3f6s h ALA 130 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3f6s h ALA 130 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3f6s h ALA 130 CO 0.27 -0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 3f6s n SER 131 N -4.49 0.26 0.02 0.00 3.41 -1.26 -2.82 113.62 108.74 3f6s n SER 131 Ca 0.01 -1.14 -0.08 0.00 -0.26 0.00 0.00 58.87 57.40 3f6s n SER 131 Cb 0.25 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.06 3f6s n SER 131 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3f6s h ASN 132 N 0.39 0.02 -1.07 4.04 -1.24 -1.52 -3.42 115.58 112.78 3f6s h ASN 132 Ca 0.00 -0.03 -0.40 0.00 0.71 0.00 0.00 56.30 56.58 3f6s h ASN 132 Cb 0.08 -0.01 -0.28 0.00 0.73 0.00 0.00 38.32 38.85 3f6s h ASN 132 CO 0.00 1.03 -0.83 -0.67 -1.29 0.00 0.00 177.43 175.67 3f6s n ASP 133 N -3.20 -1.15 0.24 1.15 2.03 -1.17 -5.01 116.55 109.46 3f6s n ASP 133 Ca -0.10 -3.05 0.07 0.00 0.52 0.00 0.00 54.79 52.24 3f6s n ASP 133 Cb 1.00 0.52 0.59 0.00 -0.72 0.00 0.00 41.12 42.52 3f6s n ASP 133 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3f6s h PRO 134 N 3.81 0.00 -0.02 -0.67 0.13 -1.78 -2.26 132.00 131.20 3f6s h PRO 134 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 3f6s h PRO 134 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3f6s h PRO 134 CO 0.39 0.09 -0.41 0.93 -0.23 0.00 0.00 178.00 178.76 3f6s h GLU 135 N 0.00 0.05 0.08 0.86 5.08 -1.95 0.12 114.58 118.82 3f6s h GLU 135 Ca -0.00 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 3f6s h GLU 135 Cb 0.15 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3f6s h GLU 135 CO 0.01 0.45 -1.39 0.00 -1.00 0.00 0.00 179.01 177.08 3f6s h ALA 136 N 1.55 0.33 -0.64 3.43 0.00 -1.82 0.54 119.26 122.65 3f6s h ALA 136 Ca 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 54.91 53.77 3f6s h ALA 136 Cb 0.75 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3f6s h ALA 136 CO 0.06 1.20 0.15 0.28 0.00 0.00 0.00 179.25 180.93 3f6s h VAL 137 N 0.05 1.26 0.43 0.00 2.07 -1.36 -2.43 116.25 116.26 3f6s h VAL 137 Ca -0.18 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3f6s h VAL 137 Cb 1.95 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3f6s h VAL 137 CO 0.15 0.35 -0.21 0.00 0.02 0.00 0.00 177.57 177.89 3f6s h ALA 138 N 1.05 -0.57 -0.31 1.67 0.00 -0.74 -2.28 119.26 118.09 3f6s h ALA 138 Ca 0.20 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3f6s h ALA 138 Cb 0.37 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3f6s h ALA 138 CO 0.00 -0.75 -0.23 1.03 0.00 0.00 0.00 179.25 179.31 3f6s h SER 139 N -0.72 -0.74 -0.45 0.00 0.87 -0.90 0.19 113.55 111.80 3f6s h SER 139 Ca -0.06 0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3f6s h SER 139 Cb 0.52 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 62.79 3f6s h SER 139 CO 0.10 -0.26 0.15 0.15 -0.53 0.00 0.00 176.83 176.44 3f6s h PHE 140 N -0.20 0.26 -0.53 2.24 3.57 -1.44 0.14 116.94 120.98 3f6s h PHE 140 Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3f6s h PHE 140 Cb 0.45 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3f6s h PHE 140 CO -0.41 0.08 0.17 0.00 -2.23 0.00 0.00 178.31 175.92 3f6s h ALA 141 N 1.30 0.70 -0.78 2.41 0.00 -0.85 0.10 119.26 122.14 3f6s h ALA 141 Ca 0.21 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3f6s h ALA 141 Cb 0.22 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3f6s h ALA 141 CO -0.23 0.35 0.47 1.49 0.00 0.00 0.00 179.25 181.34 3f6s h GLU 142 N 0.73 0.84 -0.43 0.00 4.81 0.18 0.22 114.58 120.93 3f6s h GLU 142 Ca 0.17 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 3f6s h GLU 142 Cb 0.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3f6s h GLU 142 CO -0.01 0.55 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.12 3f6s h ASP 143 N 0.86 0.96 -0.39 1.04 3.32 -0.22 -2.30 116.42 119.70 3f6s h ASP 143 Ca 0.34 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3f6s h ASP 143 Cb 0.17 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3f6s h ASP 143 CO -0.17 1.17 0.06 0.58 -1.72 0.00 0.00 179.24 179.15 3f6s h VAL 144 N 0.79 1.24 -0.71 -1.35 2.07 -0.56 -3.09 116.25 114.63 3f6s h VAL 144 Ca 0.09 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3f6s h VAL 144 Cb 0.84 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3f6s h VAL 144 CO 0.07 0.29 0.32 -0.07 0.02 0.00 0.00 177.57 178.21 3f6s h LEU 145 N 0.49 0.93 -2.28 2.57 3.38 -0.47 0.27 115.31 120.20 3f6s h LEU 145 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f6s h LEU 145 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3f6s h LEU 145 CO 0.01 0.80 0.00 0.11 0.09 0.00 0.00 178.44 179.45 3f6s h LYS 146 N 1.01 0.00 0.00 1.13 1.79 -1.33 -2.82 116.57 116.35 3f6s h LYS 146 Ca 0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 3f6s h LYS 146 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3f6s h LYS 146 CO -0.03 0.00 -1.38 1.04 -1.08 0.00 0.00 179.45 178.00 3f6s n GLN 147 N -2.72 0.87 0.00 3.15 1.13 0.05 -5.12 117.38 114.74 3f6s n GLN 147 Ca -0.02 -0.09 0.16 0.00 -1.94 0.00 0.00 57.00 55.10 3f6s n GLN 147 Cb 0.06 -1.38 0.94 0.00 0.11 0.00 0.00 30.24 29.98 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90