#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 3.84 -0.13 1.43 1.02 -1.26 -1.17 119.74 123.47 3f6s s LYS 3 Ca 0.00 0.19 -0.03 0.00 0.02 0.00 0.00 55.97 56.15 3f6s s LYS 3 Cb 0.00 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 3f6s s LYS 3 CO 0.00 -0.58 -0.01 0.08 -0.92 0.00 0.00 175.35 173.91 3f6s s VAL 4 N 2.56 4.16 -0.17 3.17 1.01 -0.07 -0.65 120.40 130.41 3f6s s VAL 4 Ca 0.24 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3f6s s VAL 4 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3f6s s VAL 4 CO 0.12 0.53 0.04 -0.22 0.00 0.00 0.00 175.10 175.57 3f6s s LEU 5 N -0.10 3.70 -0.28 3.92 2.96 -0.61 -0.38 118.68 127.88 3f6s s LEU 5 Ca 0.03 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3f6s s LEU 5 Cb -0.13 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.70 3f6s s LEU 5 CO 0.02 0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.54 3f6s s ILE 6 N 0.32 2.40 -0.16 6.68 1.01 -0.36 -0.06 121.20 131.03 3f6s s ILE 6 Ca 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 60.65 58.98 3f6s s ILE 6 Cb -0.13 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3f6s s ILE 6 CO 0.01 -0.11 -0.04 -0.69 0.00 0.00 0.00 174.94 174.11 3f6s s VAL 7 N 1.12 3.86 0.02 2.92 1.01 -0.25 -0.89 120.40 128.19 3f6s s VAL 7 Ca -0.06 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3f6s s VAL 7 Cb -0.20 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3f6s s VAL 7 CO -0.04 0.49 -0.09 0.72 0.00 0.00 0.00 175.10 176.18 3f6s s PHE 8 N 0.39 0.77 -0.15 5.22 -0.12 -0.87 0.56 117.98 123.78 3f6s s PHE 8 Ca -0.04 -0.27 -0.04 0.00 -0.05 0.00 0.00 56.93 56.53 3f6s s PHE 8 Cb -0.14 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.74 3f6s s PHE 8 CO 0.03 -0.02 -0.03 0.20 -0.05 0.00 0.00 175.22 175.35 3f6s s GLY 9 N -0.75 1.75 -0.21 1.99 0.00 0.37 -0.00 107.32 110.46 3f6s s GLY 9 Ca -0.01 -0.81 -0.11 0.00 0.00 0.00 0.00 44.72 43.79 3f6s s GLY 9 CO 0.00 -0.13 0.50 -0.45 0.00 0.00 0.00 173.10 173.02 3f6s s SER 10 N 0.19 -0.64 -0.22 1.64 0.15 -1.26 -3.46 113.70 110.10 3f6s s SER 10 Ca -0.01 1.10 0.06 0.00 0.70 0.00 0.00 55.95 57.80 3f6s s SER 10 Cb -0.14 1.03 -0.18 0.00 -1.71 0.00 0.00 66.02 65.02 3f6s s SER 10 CO 0.03 -0.21 -0.12 -1.20 1.20 0.00 0.00 173.24 172.94 3f6s n SER 11 N 4.38 1.64 -0.26 5.45 7.64 -1.26 -4.59 113.62 126.62 3f6s n SER 11 Ca -0.21 -0.09 0.09 0.00 1.01 0.00 0.00 58.87 59.67 3f6s n SER 11 Cb 0.56 0.06 0.16 0.00 -1.01 0.00 0.00 64.21 63.97 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 -3.02 1.91 -0.98 0.44 -2.24 -1.26 -4.98 114.28 104.15 3f6s n THR 12 Ca -0.38 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 3f6s n THR 12 Cb 0.99 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.15 0.28 0.08 3.38 0.00 -1.26 -4.88 105.19 101.65 3f6s n GLY 13 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.07 -0.03 1.61 2.35 -1.94 0.14 115.58 117.63 3f6s h ASN 14 Ca 0.00 -0.39 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 3f6s h ASN 14 Cb 0.44 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3f6s h ASN 14 CO 0.00 0.37 -0.17 0.74 -1.65 0.00 0.00 177.43 176.72 3f6s h THR 15 N -0.53 1.23 -0.37 2.81 2.02 -1.87 -1.74 112.91 114.47 3f6s h THR 15 Ca -0.01 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 3f6s h THR 15 Cb 0.46 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3f6s h THR 15 CO 0.01 0.32 -0.26 -0.08 0.37 0.00 0.00 175.52 175.89 3f6s h GLU 16 N 0.35 0.83 -0.60 6.66 4.81 -1.84 -0.80 114.58 124.00 3f6s h GLU 16 Ca 0.06 -0.40 0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3f6s h GLU 16 Cb 0.51 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 3f6s h GLU 16 CO 0.03 1.04 0.20 1.03 -0.73 0.00 0.00 179.01 180.58 3f6s h SER 17 N 0.63 0.18 -0.76 1.04 0.87 -0.46 0.15 113.55 115.19 3f6s h SER 17 Ca 0.07 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3f6s h SER 17 Cb 0.83 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 3f6s h SER 17 CO 0.07 0.11 0.40 0.40 -0.53 0.00 0.00 176.83 177.28 3f6s h ILE 18 N 0.37 1.24 -0.10 2.23 2.04 -1.07 -2.20 117.51 120.02 3f6s h ILE 18 Ca 0.30 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.44 3f6s h ILE 18 Cb 0.39 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3f6s h ILE 18 CO -0.32 0.27 -0.41 0.00 0.00 0.00 0.00 178.15 177.69 3f6s h ALA 19 N 1.20 1.12 -0.72 1.87 0.00 -0.62 -0.06 119.26 122.06 3f6s h ALA 19 Ca 0.27 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3f6s h ALA 19 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3f6s h ALA 19 CO -0.04 0.58 0.32 1.96 0.00 0.00 0.00 179.25 182.08 3f6s h GLN 20 N 0.19 1.05 0.06 0.00 4.20 -0.42 -2.14 115.11 118.06 3f6s h GLN 20 Ca 0.02 -0.17 -0.24 0.00 0.06 0.00 0.00 58.65 58.32 3f6s h GLN 20 Cb 0.81 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 3f6s h GLN 20 CO 0.06 0.84 -1.09 -0.22 -0.67 0.00 0.00 178.83 177.76 3f6s h LYS 21 N 1.02 0.23 -0.90 1.46 1.63 -1.07 -2.86 116.57 116.07 3f6s h LYS 21 Ca 0.24 -0.33 0.01 0.00 -0.85 0.00 0.00 60.65 59.73 3f6s h LYS 21 Cb 0.15 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.85 3f6s h LYS 21 CO -0.03 1.11 0.60 -0.07 -3.45 0.00 0.00 179.45 177.61 3f6s h LEU 22 N 0.09 1.03 -0.26 5.20 3.38 -1.00 -1.43 115.31 122.32 3f6s h LEU 22 Ca -0.09 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3f6s h LEU 22 Cb 1.79 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 3f6s h LEU 22 CO 0.17 0.74 0.14 -0.08 0.09 0.00 0.00 178.44 179.50 3f6s h GLU 23 N 1.21 0.28 -0.21 1.13 4.81 -1.25 -1.33 114.58 119.23 3f6s h GLU 23 Ca 0.33 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3f6s h GLU 23 Cb -0.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3f6s h GLU 23 CO -0.08 0.19 0.05 1.49 -0.73 0.00 0.00 179.01 179.93 3f6s h GLU 24 N 0.29 0.34 0.07 1.92 4.81 -1.27 0.15 114.58 120.89 3f6s h GLU 24 Ca 0.10 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3f6s h GLU 24 Cb 0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3f6s h GLU 24 CO -0.06 0.47 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.49 3f6s h LEU 25 N 0.16 -0.36 -0.92 1.64 3.38 -1.22 -0.24 115.31 117.75 3f6s h LEU 25 Ca 0.07 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3f6s h LEU 25 Cb 0.29 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3f6s h LEU 25 CO 0.00 -0.19 -0.13 0.40 0.09 0.00 0.00 178.44 178.61 3f6s h ILE 26 N -0.26 1.25 -0.15 1.22 2.04 -1.14 -1.98 117.51 118.49 3f6s h ILE 26 Ca 0.02 -1.12 -0.10 0.00 1.00 0.00 0.00 64.86 64.66 3f6s h ILE 26 Cb 0.27 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3f6s h ILE 26 CO -0.07 0.38 -0.33 0.00 0.00 0.00 0.00 178.15 178.12 3f6s h ALA 27 N 1.27 1.15 0.00 1.87 0.00 -0.58 -1.51 119.26 121.46 3f6s h ALA 27 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3f6s h ALA 27 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3f6s h ALA 27 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3f6s h ALA 28 N 1.39 1.00 0.00 0.00 0.00 -0.29 0.86 119.26 122.22 3f6s h ALA 28 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3f6s h ALA 28 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3f6s h ALA 28 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 3f6s n GLY 29 N -0.47 -1.09 0.57 0.00 0.00 -0.58 -4.89 105.19 98.73 3f6s n GLY 29 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.07 0.84 3.93 -0.02 0.00 0.30 -5.06 105.19 106.24 3f6s n GLY 30 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 3.49 -0.45 1.61 4.02 -1.15 -4.71 115.29 116.03 3f6s s HIS 31 Ca 0.00 0.30 -0.18 0.00 1.02 0.00 0.00 55.06 56.19 3f6s s HIS 31 Cb 0.00 -1.81 0.03 0.00 -1.02 0.00 0.00 32.58 29.78 3f6s s HIS 31 CO 0.00 0.42 0.52 -1.21 1.02 0.00 0.00 174.74 175.49 3f6s s GLU 32 N -3.24 3.13 0.14 1.40 2.02 -0.31 -4.16 118.70 117.67 3f6s s GLU 32 Ca 0.37 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.65 3f6s s GLU 32 Cb -0.11 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 3f6s s GLU 32 CO 0.29 -0.98 0.16 0.14 0.02 0.00 0.00 175.26 174.88 3f6s s VAL 33 N 2.36 4.70 -0.22 2.63 -7.23 -1.26 -0.89 120.40 120.48 3f6s s VAL 33 Ca 0.14 -0.91 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 3f6s s VAL 33 Cb -0.17 -3.37 0.07 0.00 0.56 0.00 0.00 36.38 33.46 3f6s s VAL 33 CO 0.14 -0.04 0.03 -0.89 -0.31 0.00 0.00 175.10 174.02 3f6s s THR 34 N -1.66 0.82 -0.10 5.32 2.01 0.49 -4.92 115.64 117.59 3f6s s THR 34 Ca 0.31 -0.86 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 3f6s s THR 34 Cb -0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 3f6s s THR 34 CO 0.24 -0.27 0.60 -0.22 -0.69 0.00 0.00 174.62 174.28 3f6s s LEU 35 N 1.71 4.28 -0.05 4.42 2.96 -1.26 -1.22 118.68 129.52 3f6s s LEU 35 Ca -0.00 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.88 3f6s s LEU 35 Cb -0.18 -2.90 0.03 0.00 0.50 0.00 0.00 46.19 43.65 3f6s s LEU 35 CO -0.11 -0.09 0.10 -0.22 -1.32 0.00 0.00 176.35 174.71 3f6s s LEU 36 N 0.88 0.91 0.10 -0.68 0.20 -0.07 -4.98 118.68 115.05 3f6s s LEU 36 Ca 0.32 0.19 -0.30 0.00 0.69 0.00 0.00 54.13 55.04 3f6s s LEU 36 Cb -0.16 0.20 -0.06 0.00 -0.43 0.00 0.00 46.19 45.73 3f6s s LEU 36 CO 0.14 -0.13 0.94 0.21 -0.29 0.00 0.00 176.35 177.22 3f6s s ASN 37 N 1.07 7.47 0.26 3.68 3.84 -1.26 -2.05 114.94 127.94 3f6s s ASN 37 Ca -0.08 1.76 -0.02 0.00 0.21 0.00 0.00 52.86 54.72 3f6s s ASN 37 Cb -0.11 -2.58 0.51 0.00 -0.55 0.00 0.00 41.25 38.52 3f6s s ASN 37 CO -0.04 -0.07 1.77 0.00 -2.79 0.00 0.00 177.10 175.97 3f6s h ALA 38 N 5.63 1.25 0.00 1.71 0.00 -0.77 -0.32 119.26 126.77 3f6s h ALA 38 Ca -0.43 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3f6s h ALA 38 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3f6s h ALA 38 CO 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3f6s n ALA 39 N -2.42 1.08 0.52 0.00 0.00 -1.26 -0.39 120.51 118.03 3f6s n ALA 39 Ca 0.16 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.66 3f6s n ALA 39 Cb 0.41 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.88 3f6s n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f6s n ASP 40 N -1.49 1.93 -4.86 0.00 8.00 -0.14 -5.04 116.55 114.94 3f6s n ASP 40 Ca 0.00 -1.46 -0.31 0.00 0.71 0.00 0.00 54.79 53.73 3f6s n ASP 40 Cb 0.02 0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.11 3.16 -0.20 2.24 0.00 0.47 -5.01 121.76 121.32 3f6s s ALA 41 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3f6s s ALA 41 Cb 0.10 -2.98 0.04 0.00 0.00 0.00 0.00 23.12 20.28 3f6s s ALA 41 CO 0.18 -0.38 -0.14 -1.12 0.00 0.00 0.00 175.76 174.31 3f6s s SER 42 N -3.60 3.43 0.30 0.00 0.01 -1.26 -5.03 113.70 107.54 3f6s s SER 42 Ca 0.55 -0.87 -0.00 0.00 1.31 0.00 0.00 55.95 56.94 3f6s s SER 42 Cb -0.10 -1.35 0.49 0.00 0.21 0.00 0.00 66.02 65.26 3f6s s SER 42 CO 0.41 -0.10 1.93 0.00 0.41 0.00 0.00 173.24 175.89 3f6s h ALA 43 N 7.94 1.47 -1.57 1.44 0.00 -1.94 -3.36 119.26 123.24 3f6s h ALA 43 Ca -0.33 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 53.92 3f6s h ALA 43 Cb 1.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3f6s h ALA 43 CO 0.53 0.43 1.47 -1.91 0.00 0.00 0.00 179.25 179.76 3f6s n GLU 44 N -4.46 1.55 -1.93 0.00 4.07 -1.26 -2.03 120.64 116.59 3f6s n GLU 44 Ca 0.12 0.42 -0.19 0.00 -0.06 0.00 0.00 57.16 57.44 3f6s n GLU 44 Cb 0.13 -2.89 -0.05 0.00 -0.06 0.00 0.00 31.44 28.57 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 10.95 -5.43 -0.17 4.31 3.02 -0.40 -4.87 115.26 122.66 3f6s n ASN 45 Ca 0.35 0.25 0.16 0.00 -0.03 0.00 0.00 54.58 55.32 3f6s n ASN 45 Cb 0.35 -4.56 0.51 0.00 -0.61 0.00 0.00 39.78 35.47 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 0.00 0.38 -0.50 3.41 5.85 -1.32 -2.24 115.31 120.89 3f6s h LEU 46 Ca -0.42 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3f6s h LEU 46 Cb 1.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3f6s h LEU 46 CO 0.56 0.19 -0.23 0.00 -0.34 0.00 0.00 178.44 178.62 3f6s n ALA 47 N -2.53 3.03 -1.75 1.25 0.00 -0.99 -4.90 120.51 114.62 3f6s n ALA 47 Ca 0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 3f6s n ALA 47 Cb 0.56 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.48 6.46 0.00 0.00 1.11 -0.85 -1.79 116.67 119.13 3f6s s ASP 48 Ca 0.25 2.71 0.00 0.00 0.18 0.00 0.00 52.55 55.69 3f6s s ASP 48 Cb 0.19 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.62 3f6s s ASP 48 CO 0.51 -0.98 0.00 0.61 1.18 0.00 0.00 175.17 176.48 3f6s n GLY 49 N 4.19 2.45 3.87 0.21 0.00 -1.26 -5.07 105.19 109.58 3f6s n GLY 49 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.54 3.59 -0.04 1.61 1.51 -0.74 -4.80 117.35 115.94 3f6s s TYR 50 Ca 0.00 0.80 -0.07 0.00 -1.01 0.00 0.00 57.07 56.79 3f6s s TYR 50 Cb 0.00 -2.16 -0.29 0.00 -0.11 0.00 0.00 41.96 39.40 3f6s s TYR 50 CO 0.00 0.53 0.69 -0.44 -1.11 0.00 0.00 175.55 175.23 3f6s h ASP 51 N 3.81 0.49 -4.51 2.29 3.32 -1.20 -3.47 116.42 117.15 3f6s h ASP 51 Ca -0.49 -0.76 -0.33 0.00 0.02 0.00 0.00 57.03 55.46 3f6s h ASP 51 Cb 1.20 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 3f6s h ASP 51 CO 0.66 1.65 -0.75 0.00 -1.72 0.00 0.00 179.24 179.07 3f6s s ALA 52 N -2.59 0.73 -0.20 3.45 0.00 -1.20 -3.19 121.76 118.76 3f6s s ALA 52 Ca -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3f6s s ALA 52 Cb 0.06 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.19 3f6s s ALA 52 CO 0.84 0.07 -0.09 0.08 0.00 0.00 0.00 175.76 176.66 3f6s s VAL 53 N -1.07 1.62 -0.13 0.00 1.01 -0.07 -1.58 120.40 120.18 3f6s s VAL 53 Ca -0.05 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 3f6s s VAL 53 Cb -0.08 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3f6s s VAL 53 CO 0.01 0.12 0.47 -0.76 0.00 0.00 0.00 175.10 174.93 3f6s s LEU 54 N 1.39 4.26 -0.20 3.92 1.43 0.91 -2.26 118.68 128.13 3f6s s LEU 54 Ca -0.02 0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 53.80 3f6s s LEU 54 Cb -0.17 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 3f6s s LEU 54 CO -0.08 -0.01 -0.00 -0.36 0.23 0.00 0.00 176.35 176.13 3f6s s PHE 55 N 0.74 3.04 -0.11 0.29 0.40 -0.03 -1.09 117.98 121.22 3f6s s PHE 55 Ca 0.25 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 3f6s s PHE 55 Cb -0.15 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 3f6s s PHE 55 CO 0.10 -0.23 -0.06 0.20 0.70 0.00 0.00 175.22 175.92 3f6s s GLY 56 N 0.98 1.69 -0.28 4.36 0.00 0.19 -0.46 107.32 113.80 3f6s s GLY 56 Ca 0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 44.72 43.78 3f6s s GLY 56 CO 0.02 -0.35 0.62 0.00 0.00 0.00 0.00 173.10 173.39 3f6s s SER 58 N 2.70 4.53 0.04 0.00 1.04 -1.22 -4.58 113.70 116.21 3f6s s SER 58 Ca -0.06 0.35 0.07 0.00 0.48 0.00 0.00 55.95 56.80 3f6s s SER 58 Cb -0.11 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 3f6s s SER 58 CO -0.18 -1.78 -0.21 0.00 0.98 0.00 0.00 173.24 172.05 3f6s s ALA 59 N -3.33 1.76 0.00 5.32 0.00 -1.26 -1.00 121.76 123.25 3f6s s ALA 59 Ca 0.63 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3f6s s ALA 59 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3f6s s ALA 59 CO 0.46 0.40 0.90 0.91 0.00 0.00 0.00 175.76 178.43 3f6s n TRP 60 N 1.89 0.00 -3.09 0.00 7.02 0.14 -4.92 117.44 118.49 3f6s n TRP 60 Ca -0.17 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.00 3f6s n TRP 60 Cb 0.53 -0.03 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 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 -0.81 2.14 -0.14 6.99 0.00 -1.24 -4.91 107.32 109.34 3f6s s GLY 61 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.46 3f6s s GLY 61 CO 0.00 0.03 0.02 1.98 0.00 0.00 0.00 173.10 175.13 3f6s h MET 62 N 1.87 0.00 0.00 2.90 4.05 -1.98 -3.44 114.93 118.33 3f6s h MET 62 Ca -0.47 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 58.68 3f6s h MET 62 Cb 1.18 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.94 3f6s h MET 62 CO 0.65 0.27 -1.51 0.39 0.23 0.00 0.00 176.91 176.94 3f6s n GLU 63 N -4.62 0.56 -3.72 0.39 1.02 -1.26 -4.79 120.64 108.22 3f6s n GLU 63 Ca -0.10 0.50 -0.21 0.00 -0.02 0.00 0.00 57.16 57.33 3f6s n GLU 63 Cb 0.29 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3f6s n GLU 63 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3f6s s ASP 64 N -6.92 5.22 -0.10 1.62 1.11 -1.26 -4.94 116.67 111.40 3f6s s ASP 64 Ca -0.30 -0.57 -0.29 0.00 0.18 0.00 0.00 52.55 51.56 3f6s s ASP 64 Cb 0.08 -0.84 -0.04 0.00 1.07 0.00 0.00 42.92 43.19 3f6s s ASP 64 CO 0.54 -0.45 1.49 -0.22 1.18 0.00 0.00 175.17 177.71 3f6s s LEU 65 N -4.04 4.26 -0.13 1.23 1.98 -1.26 -4.13 118.68 116.58 3f6s s LEU 65 Ca 0.43 2.00 -0.01 0.00 -2.89 0.00 0.00 54.13 53.66 3f6s s LEU 65 Cb -0.05 -3.54 0.04 0.00 0.66 0.00 0.00 46.19 43.30 3f6s s LEU 65 CO 0.27 -0.86 -0.04 -0.70 -1.89 0.00 0.00 176.35 173.13 3f6s s GLU 66 N 3.82 1.21 0.70 1.98 2.12 -1.26 -4.92 118.70 122.36 3f6s s GLU 66 Ca 0.65 -0.29 -0.13 0.00 0.36 0.00 0.00 54.97 55.56 3f6s s GLU 66 Cb -0.28 -1.66 0.02 0.00 0.26 0.00 0.00 34.13 32.47 3f6s s GLU 66 CO 0.23 -0.37 1.11 -1.64 -0.54 0.00 0.00 175.26 174.05 3f6s s MET 67 N 1.75 2.57 0.46 4.30 -1.94 -1.26 -0.68 119.30 124.50 3f6s s MET 67 Ca 0.03 1.34 -0.22 0.00 -1.71 0.00 0.00 55.69 55.12 3f6s s MET 67 Cb -0.14 -1.92 -0.10 0.00 2.01 0.00 0.00 34.83 34.68 3f6s s MET 67 CO -0.07 -1.43 0.89 0.94 -0.01 0.00 0.00 175.02 175.34 3f6s n GLN 68 N -2.81 1.08 -0.00 2.03 0.00 -0.17 -4.63 117.38 112.87 3f6s n GLN 68 Ca 0.10 0.39 -0.09 0.00 -0.00 0.00 0.00 57.00 57.40 3f6s n GLN 68 Cb 0.52 -1.95 -0.03 0.00 0.00 0.00 0.00 30.24 28.78 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 1.13 -0.30 -0.60 1.69 -0.00 -1.93 -0.09 116.42 116.33 3f6s h ASP 69 Ca -0.45 0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 56.62 3f6s h ASP 69 Cb 1.36 0.15 -0.03 0.00 -0.00 0.00 0.00 39.33 40.81 3f6s h ASP 69 CO 0.54 -0.13 0.26 0.44 -0.00 0.00 0.00 179.24 180.35 3f6s h ASP 70 N -0.10 0.81 -0.42 2.28 3.32 -1.94 -2.97 116.42 117.40 3f6s h ASP 70 Ca 0.08 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 3f6s h ASP 70 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3f6s h ASP 70 CO -0.19 0.75 -0.21 0.15 -1.72 0.00 0.00 179.24 178.02 3f6s h PHE 71 N 0.83 1.02 -0.76 4.55 3.57 -1.79 -3.24 116.94 121.12 3f6s h PHE 71 Ca 0.20 -0.25 0.14 0.00 3.53 0.00 0.00 57.97 61.59 3f6s h PHE 71 Cb 0.17 -0.24 -0.14 0.00 2.79 0.00 0.00 35.95 38.53 3f6s h PHE 71 CO 0.01 1.04 -0.28 1.25 -2.23 0.00 0.00 178.31 178.10 3f6s h LEU 72 N 0.71 -1.00 -1.26 0.59 5.85 -0.85 0.42 115.31 119.77 3f6s h LEU 72 Ca 0.09 0.25 0.13 0.00 0.84 0.00 0.00 57.88 59.19 3f6s h LEU 72 Cb 0.77 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 3f6s h LEU 72 CO 0.06 -0.28 0.57 0.28 -0.34 0.00 0.00 178.44 178.73 3f6s h SER 73 N -0.06 0.70 1.00 1.25 0.02 -1.57 -1.88 113.55 113.01 3f6s h SER 73 Ca 0.33 0.04 -0.21 0.00 -0.84 0.00 0.00 61.79 61.11 3f6s h SER 73 Cb 0.58 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3f6s h SER 73 CO -0.80 0.37 -0.99 0.25 -1.14 0.00 0.00 176.83 174.52 3f6s h LEU 74 N 0.75 0.00 -0.93 5.07 5.85 -1.09 -3.24 115.31 121.71 3f6s h LEU 74 Ca 0.44 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3f6s h LEU 74 Cb 0.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3f6s h LEU 74 CO -0.20 0.99 -0.11 0.15 -0.34 0.00 0.00 178.44 178.92 3f6s h PHE 75 N 0.00 0.00 0.00 1.25 3.57 -0.28 -2.33 116.94 119.15 3f6s h PHE 75 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3f6s h PHE 75 Cb 1.76 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.49 3f6s h PHE 75 CO 0.00 0.11 -0.09 0.93 -2.23 0.00 0.00 178.31 177.04 3f6s h GLU 76 N 0.00 0.00 -0.40 1.11 5.08 -1.47 -3.13 114.58 115.77 3f6s h GLU 76 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3f6s h GLU 76 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3f6s h GLU 76 CO 0.01 0.09 0.00 0.39 -1.00 0.00 0.00 179.01 178.50 3f6s n GLU 77 N -3.12 3.81 -0.08 2.33 1.02 -0.91 -4.57 120.64 119.13 3f6s n GLU 77 Ca 0.04 -2.99 0.25 0.00 -0.02 0.00 0.00 57.16 54.43 3f6s n GLU 77 Cb 0.56 -2.04 0.72 0.00 -0.02 0.00 0.00 31.44 30.67 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 2.79 0.00 0.00 -0.32 -1.00 -1.40 0.27 116.94 117.28 3f6s h PHE 78 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3f6s h PHE 78 Cb 1.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.25 3f6s h PHE 78 CO 0.76 0.00 0.00 0.38 -1.61 0.00 0.00 178.31 177.84 3f6s h ASP 79 N 0.00 0.00 0.02 2.17 2.03 -1.86 -3.07 116.42 115.71 3f6s h ASP 79 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 3f6s h ASP 79 Cb 1.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.91 3f6s h ASP 79 CO -0.00 0.00 -1.50 0.54 -1.03 0.00 0.00 179.24 177.25 3f6s n ARG 80 N -2.79 0.34 0.07 4.15 1.74 0.96 -4.44 116.66 116.70 3f6s n ARG 80 Ca -0.01 -0.10 0.01 0.00 -0.77 0.00 0.00 57.85 56.98 3f6s n ARG 80 Cb 0.16 -1.51 0.34 0.00 -1.02 0.00 0.00 32.46 30.42 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 0.00 1.19 -2.01 0.55 2.04 -1.44 -1.06 117.51 116.79 3f6s h ILE 81 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3f6s h ILE 81 Cb 0.76 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3f6s h ILE 81 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.03 3f6s n GLY 82 N -0.83 0.71 0.20 5.37 0.00 -1.26 -2.34 105.19 107.04 3f6s n GLY 82 Ca 0.00 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3f6s n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f6s n LEU 83 N -1.00 0.79 -4.59 0.99 4.77 -1.26 -4.74 117.00 111.96 3f6s n LEU 83 Ca 0.00 -0.16 -0.46 0.00 -0.03 0.00 0.00 56.01 55.37 3f6s n LEU 83 Cb 0.39 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3f6s n LEU 83 CO 0.00 0.14 1.75 0.00 -1.33 0.00 0.00 177.39 177.95 3f6s n ALA 84 N -0.71 1.43 0.00 -1.18 0.00 -1.18 -0.91 120.51 117.96 3f6s n ALA 84 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3f6s n ALA 84 Cb 0.31 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.03 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 5.55 2.04 3.74 0.00 0.00 0.01 -4.90 105.19 111.63 3f6s n GLY 85 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 4.60 0.30 1.61 0.52 -0.08 -4.69 118.95 120.84 3f6s s ARG 86 Ca 0.00 1.26 -0.29 0.00 -0.52 0.00 0.00 55.73 56.18 3f6s s ARG 86 Cb 0.00 -3.37 -0.10 0.00 0.52 0.00 0.00 34.95 32.00 3f6s s ARG 86 CO 0.00 0.25 1.42 0.15 0.02 0.00 0.00 175.30 177.14 3f6s s LYS 87 N -0.03 4.26 -0.13 3.54 1.02 -1.19 -1.23 119.74 125.98 3f6s s LYS 87 Ca 0.43 2.34 -0.12 0.00 0.02 0.00 0.00 55.97 58.64 3f6s s LYS 87 Cb -0.22 -3.07 0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3f6s s LYS 87 CO 0.26 -0.39 0.34 0.08 -0.92 0.00 0.00 175.35 174.73 3f6s s VAL 88 N -0.51 0.00 0.17 3.17 1.01 -0.10 -0.89 120.40 123.25 3f6s s VAL 88 Ca 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 3f6s s VAL 88 Cb -0.42 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3f6s s VAL 88 CO 0.50 -0.00 0.09 0.00 0.00 0.00 0.00 175.10 175.68 3f6s s ALA 89 N 0.16 1.08 0.01 5.51 0.00 -0.96 -2.45 121.76 125.11 3f6s s ALA 89 Ca -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 3f6s s ALA 89 Cb -0.02 1.12 -0.01 0.00 0.00 0.00 0.00 23.12 24.20 3f6s s ALA 89 CO 0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 175.76 175.21 3f6s s ALA 90 N -4.07 0.10 0.13 0.00 0.00 -1.26 -0.85 121.76 115.80 3f6s s ALA 90 Ca 0.32 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 3f6s s ALA 90 Cb 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3f6s s ALA 90 CO 0.08 -0.11 0.21 -0.59 0.00 0.00 0.00 175.76 175.35 3f6s s PHE 91 N -1.03 0.36 -0.10 0.00 -0.71 0.39 -0.88 117.98 116.01 3f6s s PHE 91 Ca -0.11 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 54.71 3f6s s PHE 91 Cb -0.07 -0.12 0.12 0.00 -1.21 0.00 0.00 43.02 41.74 3f6s s PHE 91 CO -0.01 -0.62 0.97 0.00 -1.34 0.00 0.00 175.22 174.23 3f6s s ALA 92 N -3.94 -1.90 0.07 1.99 0.00 -0.73 -1.74 121.76 115.52 3f6s s ALA 92 Ca 0.13 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3f6s s ALA 92 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3f6s s ALA 92 CO -0.04 -0.49 0.22 0.45 0.00 0.00 0.00 175.76 175.89 3f6s s SER 93 N -1.78 6.36 0.00 0.00 0.15 -1.26 -2.82 113.70 114.35 3f6s s SER 93 Ca 0.02 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.93 3f6s s SER 93 Cb -0.01 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 3f6s s SER 93 CO -0.03 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.18 3f6s n GLY 94 N 0.23 1.99 2.91 9.45 0.00 -0.06 -4.32 105.19 115.39 3f6s n GLY 94 Ca -0.05 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 3f6s n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f6s s ASP 95 N -0.76 1.96 0.52 1.61 -1.08 -1.26 -4.13 116.67 113.53 3f6s s ASP 95 Ca 0.00 -0.27 0.21 0.00 -0.52 0.00 0.00 52.55 51.97 3f6s s ASP 95 Cb 0.00 -0.77 1.36 0.00 -1.46 0.00 0.00 42.92 42.05 3f6s s ASP 95 CO 0.00 -0.09 2.11 1.56 0.52 0.00 0.00 175.17 179.27 3f6s h GLN 96 N 7.89 0.00 0.00 4.34 4.20 -1.99 -1.22 115.11 128.33 3f6s h GLN 96 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3f6s h GLN 96 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3f6s h GLN 96 CO 0.41 0.08 0.00 0.39 -0.67 0.00 0.00 178.83 179.04 3f6s n GLU 97 N -4.13 0.59 -4.04 1.46 1.02 -1.26 -4.64 120.64 109.64 3f6s n GLU 97 Ca -0.03 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 3f6s n GLU 97 Cb 0.16 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.00 2.83 -0.33 -0.32 1.51 -0.46 -5.06 117.35 113.52 3f6s s TYR 98 Ca 0.18 -0.29 0.22 0.00 -1.01 0.00 0.00 57.07 56.17 3f6s s TYR 98 Cb 0.08 -1.59 0.16 0.00 -0.11 0.00 0.00 41.96 40.50 3f6s s TYR 98 CO 0.14 0.36 1.32 1.49 -1.11 0.00 0.00 175.55 177.75 3f6s h GLU 99 N 1.49 0.00 -2.24 -0.62 4.81 -1.84 -3.36 114.58 112.83 3f6s h GLU 99 Ca -0.45 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.17 3f6s h GLU 99 Cb 1.25 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.22 3f6s h GLU 99 CO 0.61 0.03 -0.53 0.72 -0.73 0.00 0.00 179.01 179.11 3f6s n HIS 100 N -2.91 3.69 -1.54 0.92 8.25 -1.26 -5.06 115.22 117.31 3f6s n HIS 100 Ca 0.02 -4.05 -0.48 0.00 -0.26 0.00 0.00 57.72 52.94 3f6s n HIS 100 Cb 0.56 -0.58 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 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 0.63 1.85 -4.13 4.41 7.35 -1.26 -0.97 117.46 125.33 3f6s n PHE 101 Ca 0.30 0.10 -0.32 0.00 -0.76 0.00 0.00 57.45 56.77 3f6s n PHE 101 Cb 0.40 -2.62 -0.03 0.00 0.35 0.00 0.00 39.48 37.59 3f6s n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3f6s h GLY 103 N -1.64 0.00 2.00 0.00 0.00 -1.41 -2.27 103.07 99.74 3f6s h GLY 103 Ca -0.61 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 3f6s h GLY 103 CO 0.73 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 177.09 3f6s h ALA 104 N 1.96 1.27 0.25 3.60 0.00 -1.84 -3.05 119.26 121.44 3f6s h ALA 104 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3f6s h ALA 104 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f6s h ALA 104 CO 0.01 0.22 -0.12 0.28 0.00 0.00 0.00 179.25 179.63 3f6s h VAL 105 N 0.00 0.80 0.00 0.00 2.07 -1.68 0.48 116.25 117.91 3f6s h VAL 105 Ca -0.00 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3f6s h VAL 105 Cb 0.45 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3f6s h VAL 105 CO 0.02 0.12 -0.16 1.55 0.02 0.00 0.00 177.57 179.12 3f6s h PRO 106 N -0.64 0.00 -0.45 1.57 0.13 -1.75 -0.34 132.00 130.52 3f6s h PRO 106 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.95 3f6s h PRO 106 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3f6s h PRO 106 CO 0.06 0.16 -0.28 0.00 -0.23 0.00 0.00 178.00 177.71 3f6s h ALA 107 N 1.84 0.65 -0.10 -0.56 0.00 -1.29 -0.89 119.26 118.91 3f6s h ALA 107 Ca -0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3f6s h ALA 107 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3f6s h ALA 107 CO 0.02 0.68 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 3f6s h ILE 108 N 0.83 1.30 -0.62 0.00 2.04 0.26 -2.37 117.51 118.95 3f6s h ILE 108 Ca 0.09 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 65.04 3f6s h ILE 108 Cb 0.87 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 3f6s h ILE 108 CO 0.08 0.28 0.28 -0.33 0.00 0.00 0.00 178.15 178.46 3f6s h GLU 109 N -0.15 0.49 -0.23 2.37 5.08 -0.95 0.55 114.58 121.74 3f6s h GLU 109 Ca 0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3f6s h GLU 109 Cb 0.46 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3f6s h GLU 109 CO 0.01 0.32 -0.20 0.93 -1.00 0.00 0.00 179.01 179.07 3f6s h GLU 110 N 0.50 0.55 0.00 2.33 3.07 -1.20 -1.42 114.58 118.41 3f6s h GLU 110 Ca 0.30 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 3f6s h GLU 110 Cb 0.30 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3f6s h GLU 110 CO -0.25 0.86 -0.32 -0.09 -1.40 0.00 0.00 179.01 177.81 3f6s h ARG 111 N 0.25 0.00 -0.04 2.33 9.65 -1.17 -2.25 114.38 123.16 3f6s h ARG 111 Ca 0.04 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.69 3f6s h ARG 111 Cb 0.75 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.34 3f6s h ARG 111 CO 0.05 0.32 -0.91 0.00 2.80 0.00 0.00 179.97 182.23 3f6s h ALA 112 N 1.68 0.34 -0.29 2.80 0.00 -0.77 -3.24 119.26 119.78 3f6s h ALA 112 Ca -0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 3f6s h ALA 112 Cb 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3f6s h ALA 112 CO 0.04 0.76 -0.09 0.87 0.00 0.00 0.00 179.25 180.82 3f6s h LYS 113 N 0.32 0.58 0.00 0.00 1.57 -0.92 -1.38 116.57 116.75 3f6s h LYS 113 Ca -0.08 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3f6s h LYS 113 Cb 1.54 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3f6s h LYS 113 CO 0.17 0.79 0.18 0.93 -0.57 0.00 0.00 179.45 180.94 3f6s h GLU 114 N 0.34 0.00 -0.14 3.15 5.08 -1.50 -2.10 114.58 119.41 3f6s h GLU 114 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3f6s h GLU 114 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3f6s h GLU 114 CO 0.03 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.32 3f6s n LEU 115 N -2.85 2.75 0.00 1.33 4.77 -0.89 -4.94 117.00 117.18 3f6s n LEU 115 Ca -0.02 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3f6s n LEU 115 Cb 0.23 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3f6s n LEU 115 CO 0.15 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3f6s n GLY 116 N 1.07 0.89 3.76 -0.72 0.00 -0.79 -3.10 105.19 106.30 3f6s n GLY 116 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 2.43 -0.23 4.61 0.00 -0.57 -0.81 121.76 125.19 3f6s s ALA 117 Ca 0.00 0.75 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 3f6s s ALA 117 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3f6s s ALA 117 CO 0.00 -1.32 0.02 0.99 0.00 0.00 0.00 175.76 175.44 3f6s s THR 118 N -2.03 3.89 -0.54 0.00 2.01 -0.37 -4.52 115.64 114.08 3f6s s THR 118 Ca 0.71 -0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.15 3f6s s THR 118 Cb -0.25 -2.79 0.04 0.00 0.01 0.00 0.00 72.50 69.51 3f6s s THR 118 CO 0.39 0.39 0.94 -0.63 -0.69 0.00 0.00 174.62 175.01 3f6s s ILE 119 N 1.47 4.40 -2.10 1.82 -1.09 -1.26 -0.92 121.20 123.52 3f6s s ILE 119 Ca 0.05 0.34 0.28 0.00 -2.23 0.00 0.00 60.65 59.09 3f6s s ILE 119 Cb -0.15 -4.52 0.44 0.00 -1.58 0.00 0.00 42.46 36.65 3f6s s ILE 119 CO 0.01 -1.08 1.70 2.30 -1.23 0.00 0.00 174.94 176.64 3f6s n ILE 120 N 6.22 0.00 -3.48 2.92 -5.35 -1.03 -4.92 119.36 113.72 3f6s n ILE 120 Ca 0.02 -0.18 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 3f6s n ILE 120 Cb 0.48 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.72 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 -2.25 -1.73 0.17 -1.28 0.00 -1.26 -4.68 121.76 110.72 3f6s s ALA 121 Ca 0.32 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 3f6s s ALA 121 Cb 0.20 0.41 -0.10 0.00 0.00 0.00 0.00 23.12 23.64 3f6s s ALA 121 CO 0.42 -0.62 1.50 -2.00 0.00 0.00 0.00 175.76 175.06 3f6s s GLU 122 N -2.80 4.25 0.34 0.00 2.12 -1.26 -4.81 118.70 116.54 3f6s s GLU 122 Ca -0.00 2.28 -0.27 0.00 0.36 0.00 0.00 54.97 57.34 3f6s s GLU 122 Cb -0.01 -3.17 -0.13 0.00 0.26 0.00 0.00 34.13 31.09 3f6s s GLU 122 CO -0.06 -0.53 1.12 0.41 -0.54 0.00 0.00 175.26 175.66 3f6s n GLY 123 N 3.40 0.10 3.59 -1.50 0.00 -1.26 -4.92 105.19 104.60 3f6s n GLY 123 Ca 0.12 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.37 4.15 -0.22 0.99 2.96 -0.06 -5.00 118.68 121.12 3f6s s LEU 124 Ca 0.58 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3f6s s LEU 124 Cb -0.62 -2.97 0.05 0.00 0.50 0.00 0.00 46.19 43.16 3f6s s LEU 124 CO 0.60 -0.66 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.33 3f6s s LYS 125 N 2.95 2.05 0.10 1.98 1.02 -1.26 -1.76 119.74 124.82 3f6s s LYS 125 Ca 0.30 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.29 3f6s s LYS 125 Cb -0.14 -2.58 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3f6s s LYS 125 CO 0.15 -0.48 0.12 0.00 -0.92 0.00 0.00 175.35 174.21 3f6s n MET 126 N 4.62 0.17 -4.36 1.68 0.00 -1.13 -5.04 117.12 113.06 3f6s n MET 126 Ca -0.14 -0.86 -0.21 0.00 0.00 0.00 0.00 57.70 56.49 3f6s n MET 126 Cb 0.45 0.78 -0.11 0.00 0.00 0.00 0.00 33.22 34.34 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 -2.29 1.35 2.78 3.17 2.02 -1.26 -0.88 118.70 123.59 3f6s s GLU 127 Ca 0.10 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.55 3f6s s GLU 127 Cb 0.00 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.93 3f6s s GLU 127 CO 0.07 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.00 3f6s n GLY 128 N -0.13 0.48 0.91 -1.39 0.00 -1.26 -4.60 105.19 99.20 3f6s n GLY 128 Ca -0.10 -0.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.58 0.06 -0.10 1.61 3.85 -1.26 -4.70 116.55 113.44 3f6s n ASP 129 Ca 0.00 -1.13 -0.10 0.00 -0.71 0.00 0.00 54.79 52.85 3f6s n ASP 129 Cb 0.00 -0.23 -0.03 0.00 -1.35 0.00 0.00 41.12 39.52 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 -1.75 0.40 -0.06 2.12 0.00 -1.79 -2.96 119.26 115.21 3f6s h ALA 130 Ca -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3f6s h ALA 130 Cb 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3f6s h ALA 130 CO 0.07 0.01 -0.04 0.66 0.00 0.00 0.00 179.25 179.96 3f6s h SER 131 N 0.34 0.08 -0.19 0.00 4.64 -1.93 -2.27 113.55 114.21 3f6s h SER 131 Ca 0.10 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3f6s h SER 131 Cb 0.22 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3f6s h SER 131 CO -0.01 0.13 0.13 -1.13 -0.87 0.00 0.00 176.83 175.09 3f6s h ASN 132 N 0.08 0.06 -1.07 4.97 -1.24 -1.83 -3.34 115.58 113.22 3f6s h ASN 132 Ca 0.02 -0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.64 3f6s h ASN 132 Cb 0.13 -0.01 -0.28 0.00 0.73 0.00 0.00 38.32 38.88 3f6s h ASN 132 CO 0.01 0.04 -0.83 -0.67 -1.29 0.00 0.00 177.43 174.69 3f6s n ASP 133 N -4.49 -1.06 0.32 1.15 2.03 -0.87 -5.00 116.55 108.63 3f6s n ASP 133 Ca 0.01 -3.09 0.21 0.00 0.52 0.00 0.00 54.79 52.43 3f6s n ASP 133 Cb 0.22 0.53 1.11 0.00 -0.72 0.00 0.00 41.12 42.26 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 3.67 0.00 0.00 -0.67 0.13 -1.65 -2.21 132.00 131.27 3f6s h PRO 134 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 3f6s h PRO 134 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 3f6s h PRO 134 CO 0.38 0.01 -0.91 0.93 -0.23 0.00 0.00 178.00 178.18 3f6s h GLU 135 N 0.00 0.00 -0.03 0.86 5.08 -1.94 -2.02 114.58 116.52 3f6s h GLU 135 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3f6s h GLU 135 Cb 0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.33 3f6s h GLU 135 CO 0.00 0.34 -0.98 0.00 -1.00 0.00 0.00 179.01 177.38 3f6s h ALA 136 N 1.54 0.20 -0.49 3.43 0.00 -1.80 -1.51 119.26 120.63 3f6s h ALA 136 Ca -0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 3f6s h ALA 136 Cb 1.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3f6s h ALA 136 CO 0.05 0.70 0.02 0.28 0.00 0.00 0.00 179.25 180.30 3f6s h VAL 137 N 0.41 1.26 -0.33 0.00 2.07 -1.55 -1.07 116.25 117.03 3f6s h VAL 137 Ca -0.11 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.20 3f6s h VAL 137 Cb 1.62 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3f6s h VAL 137 CO 0.19 0.37 -0.46 0.00 0.02 0.00 0.00 177.57 177.68 3f6s h ALA 138 N 0.94 0.54 -0.42 1.67 0.00 -1.43 -0.83 119.26 119.73 3f6s h ALA 138 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3f6s h ALA 138 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3f6s h ALA 138 CO 0.02 0.68 0.27 1.03 0.00 0.00 0.00 179.25 181.25 3f6s h SER 139 N 0.71 0.49 -0.33 0.00 0.87 -1.22 0.45 113.55 114.52 3f6s h SER 139 Ca 0.04 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3f6s h SER 139 Cb 1.06 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3f6s h SER 139 CO 0.11 0.38 -0.10 0.15 -0.53 0.00 0.00 176.83 176.83 3f6s h PHE 140 N 0.57 0.74 -0.42 2.24 3.57 -1.11 -2.31 116.94 120.21 3f6s h PHE 140 Ca 0.15 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3f6s h PHE 140 Cb -0.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3f6s h PHE 140 CO -0.04 0.84 0.26 0.00 -2.23 0.00 0.00 178.31 177.13 3f6s h ALA 141 N 0.80 0.54 -0.40 2.41 0.00 -0.96 -2.15 119.26 119.48 3f6s h ALA 141 Ca 0.08 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3f6s h ALA 141 Cb 0.61 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 3f6s h ALA 141 CO 0.04 0.02 -0.26 1.49 0.00 0.00 0.00 179.25 180.54 3f6s h GLU 142 N 0.56 -0.18 -0.77 0.00 4.81 0.03 0.04 114.58 119.07 3f6s h GLU 142 Ca 0.15 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3f6s h GLU 142 Cb -0.01 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3f6s h GLU 142 CO -0.03 -0.12 0.47 -0.44 -0.73 0.00 0.00 179.01 178.16 3f6s h ASP 143 N -0.19 0.92 -0.37 1.04 3.32 -1.09 -2.75 116.42 117.30 3f6s h ASP 143 Ca 0.19 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3f6s h ASP 143 Cb 0.49 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3f6s h ASP 143 CO -0.51 0.71 -0.16 0.58 -1.72 0.00 0.00 179.24 178.14 3f6s h VAL 144 N 1.05 1.28 -0.98 -1.35 2.07 -0.98 -2.99 116.25 114.35 3f6s h VAL 144 Ca 0.28 -1.27 0.17 0.00 0.82 0.00 0.00 66.70 66.70 3f6s h VAL 144 Cb -0.05 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 3f6s h VAL 144 CO -0.05 0.42 0.59 -0.07 0.02 0.00 0.00 177.57 178.48 3f6s h LEU 145 N 0.56 0.78 0.00 2.57 3.38 -0.80 -0.64 115.31 121.16 3f6s h LEU 145 Ca 0.09 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3f6s h LEU 145 Cb 0.70 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3f6s h LEU 145 CO 0.05 0.31 0.00 0.29 0.09 0.00 0.00 178.44 179.18 3f6s n LYS 146 N -4.75 0.28 -0.07 1.13 4.76 -1.05 -0.96 118.16 117.50 3f6s n LYS 146 Ca 0.22 0.11 0.03 0.00 -2.87 0.00 0.00 58.31 55.79 3f6s n LYS 146 Cb 0.51 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.26 3f6s n LYS 146 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3f6s n GLN 147 N -1.22 2.32 0.00 1.97 1.13 -0.26 -5.12 117.38 116.21 3f6s n GLN 147 Ca 0.08 -1.58 0.11 0.00 -1.94 0.00 0.00 57.00 53.67 3f6s n GLN 147 Cb 0.10 -1.12 0.09 0.00 0.11 0.00 0.00 30.24 29.42 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90