#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 4.11 -0.17 1.43 1.02 -1.26 -2.10 119.74 122.77 3f6s s LYS 3 Ca 0.00 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.22 3f6s s LYS 3 Cb 0.00 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 3f6s s LYS 3 CO 0.00 -0.20 -0.17 0.08 -0.92 0.00 0.00 175.35 174.14 3f6s s VAL 4 N 1.83 2.41 -0.06 3.17 1.01 -0.10 -0.70 120.40 127.96 3f6s s VAL 4 Ca 0.19 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 3f6s s VAL 4 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3f6s s VAL 4 CO 0.09 0.52 0.41 -0.22 0.00 0.00 0.00 175.10 175.90 3f6s s LEU 5 N 1.10 4.39 -0.27 3.92 2.96 -0.74 -0.17 118.68 129.87 3f6s s LEU 5 Ca 0.00 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3f6s s LEU 5 Cb -0.14 -2.58 0.06 0.00 0.50 0.00 0.00 46.19 44.03 3f6s s LEU 5 CO -0.06 0.20 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.45 3f6s s ILE 6 N -0.37 2.17 -0.19 6.68 1.01 0.34 -0.63 121.20 130.21 3f6s s ILE 6 Ca 0.23 -1.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.09 3f6s s ILE 6 Cb -0.16 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 3f6s s ILE 6 CO 0.11 -0.10 0.06 -0.69 0.00 0.00 0.00 174.94 174.32 3f6s s VAL 7 N 1.08 4.69 0.03 2.92 1.01 -0.19 -1.52 120.40 128.43 3f6s s VAL 7 Ca -0.07 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3f6s s VAL 7 Cb -0.20 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 3f6s s VAL 7 CO -0.05 0.44 -0.09 0.72 0.00 0.00 0.00 175.10 176.12 3f6s s PHE 8 N 0.55 0.80 -0.20 5.22 -0.12 -0.90 0.10 117.98 123.43 3f6s s PHE 8 Ca 0.03 -0.34 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 3f6s s PHE 8 Cb -0.13 -0.48 0.00 0.00 -0.63 0.00 0.00 43.02 41.78 3f6s s PHE 8 CO 0.01 -0.02 -0.11 0.20 -0.05 0.00 0.00 175.22 175.25 3f6s s GLY 9 N -1.05 1.52 -0.08 1.99 0.00 0.56 0.20 107.32 110.47 3f6s s GLY 9 Ca -0.03 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.48 3f6s s GLY 9 CO 0.01 0.35 0.17 -0.45 0.00 0.00 0.00 173.10 173.17 3f6s s SER 10 N 1.36 -0.07 -0.18 1.64 0.15 -1.26 -3.30 113.70 112.04 3f6s s SER 10 Ca 0.05 0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.93 3f6s s SER 10 Cb -0.14 0.24 -0.21 0.00 -1.71 0.00 0.00 66.02 64.20 3f6s s SER 10 CO -0.06 -0.16 0.17 -1.20 1.20 0.00 0.00 173.24 173.18 3f6s n SER 11 N 4.31 2.01 -0.55 5.45 7.64 -1.26 -4.58 113.62 126.64 3f6s n SER 11 Ca -0.25 0.25 0.05 0.00 1.01 0.00 0.00 58.87 59.93 3f6s n SER 11 Cb 0.52 -0.84 0.14 0.00 -1.01 0.00 0.00 64.21 63.02 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 -3.83 1.13 -0.66 0.44 -2.24 -1.26 -4.99 114.28 102.86 3f6s n THR 12 Ca -0.36 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 3f6s n THR 12 Cb 0.91 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 0.22 0.83 0.12 3.38 0.00 -1.26 -4.93 105.19 103.55 3f6s n GLY 13 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.29 0.33 1.61 2.35 -1.94 0.57 115.58 118.80 3f6s h ASN 14 Ca 0.00 -0.53 -0.10 0.00 -0.55 0.00 0.00 56.30 55.11 3f6s h ASN 14 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3f6s h ASN 14 CO 0.00 0.77 -0.44 0.74 -1.65 0.00 0.00 177.43 176.85 3f6s h THR 15 N -0.17 1.32 0.00 2.81 2.02 -1.86 -2.40 112.91 114.63 3f6s h THR 15 Ca 0.01 -1.56 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 3f6s h THR 15 Cb 0.71 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 3f6s h THR 15 CO 0.03 0.46 -0.60 -0.08 0.37 0.00 0.00 175.52 175.70 3f6s h GLU 16 N 0.12 0.00 -0.26 6.66 4.81 -1.84 -1.81 114.58 122.25 3f6s h GLU 16 Ca 0.01 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 3f6s h GLU 16 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3f6s h GLU 16 CO 0.06 0.60 -0.58 1.03 -0.73 0.00 0.00 179.01 179.40 3f6s h SER 17 N 0.00 0.96 -0.45 1.04 0.87 -0.64 -1.21 113.55 114.12 3f6s h SER 17 Ca -0.01 -0.55 -0.03 0.00 -1.23 0.00 0.00 61.79 59.98 3f6s h SER 17 Cb 1.10 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3f6s h SER 17 CO 0.08 1.34 0.19 0.40 -0.53 0.00 0.00 176.83 178.31 3f6s h ILE 18 N 0.63 1.19 -0.36 2.23 2.04 -1.34 -2.07 117.51 119.83 3f6s h ILE 18 Ca 0.00 -0.59 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 3f6s h ILE 18 Cb 1.19 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3f6s h ILE 18 CO 0.13 0.23 -0.30 0.00 0.00 0.00 0.00 178.15 178.20 3f6s h ALA 19 N 1.50 0.79 -0.54 1.87 0.00 -1.10 -1.64 119.26 120.13 3f6s h ALA 19 Ca 0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3f6s h ALA 19 Cb 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3f6s h ALA 19 CO -0.02 0.65 0.20 1.96 0.00 0.00 0.00 179.25 182.05 3f6s h GLN 20 N 0.66 0.79 0.16 0.00 4.20 -0.84 -2.47 115.11 117.61 3f6s h GLN 20 Ca 0.07 -0.13 -0.29 0.00 0.06 0.00 0.00 58.65 58.37 3f6s h GLN 20 Cb 0.84 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.49 3f6s h GLN 20 CO 0.07 0.66 -1.32 -0.22 -0.67 0.00 0.00 178.83 177.36 3f6s h LYS 21 N 0.78 0.34 -0.38 1.46 1.63 -1.22 -2.83 116.57 116.35 3f6s h LYS 21 Ca 0.18 -0.59 -0.05 0.00 -0.85 0.00 0.00 60.65 59.35 3f6s h LYS 21 Cb 0.18 0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3f6s h LYS 21 CO -0.01 1.28 0.02 -0.07 -3.45 0.00 0.00 179.45 177.22 3f6s h LEU 22 N 0.09 0.56 -0.25 5.20 3.38 -1.25 -0.03 115.31 123.01 3f6s h LEU 22 Ca -0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3f6s h LEU 22 Cb 2.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3f6s h LEU 22 CO 0.22 0.61 -0.02 -0.08 0.09 0.00 0.00 178.44 179.26 3f6s h GLU 23 N 0.57 0.46 -0.12 1.13 4.81 -1.43 0.58 114.58 120.57 3f6s h GLU 23 Ca 0.12 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3f6s h GLU 23 Cb 0.33 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3f6s h GLU 23 CO 0.01 0.65 0.07 1.49 -0.73 0.00 0.00 179.01 180.50 3f6s h GLU 24 N 0.22 0.17 -0.07 1.92 4.81 -1.23 0.40 114.58 120.80 3f6s h GLU 24 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3f6s h GLU 24 Cb 0.46 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3f6s h GLU 24 CO 0.02 0.17 0.00 -0.07 -0.73 0.00 0.00 179.01 178.40 3f6s h LEU 25 N 0.12 -0.01 -0.59 1.64 3.38 -1.00 -0.52 115.31 118.32 3f6s h LEU 25 Ca 0.04 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3f6s h LEU 25 Cb 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3f6s h LEU 25 CO -0.01 0.00 -0.44 0.40 0.09 0.00 0.00 178.44 178.48 3f6s h ILE 26 N 0.03 1.30 0.00 1.22 2.04 -0.74 -2.46 117.51 118.90 3f6s h ILE 26 Ca 0.03 -1.63 -0.09 0.00 1.00 0.00 0.00 64.86 64.17 3f6s h ILE 26 Cb 0.03 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3f6s h ILE 26 CO -0.05 0.52 -0.43 0.00 0.00 0.00 0.00 178.15 178.19 3f6s h ALA 27 N 1.01 0.87 0.00 1.87 0.00 -0.92 -1.93 119.26 120.17 3f6s h ALA 27 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3f6s h ALA 27 Cb 0.97 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3f6s h ALA 27 CO 0.09 0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.87 3f6s h ALA 28 N 1.57 1.08 -0.35 0.00 0.00 -0.60 -0.74 119.26 120.22 3f6s h ALA 28 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f6s h ALA 28 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3f6s h ALA 28 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3f6s n GLY 29 N -1.03 2.35 1.87 0.00 0.00 -0.73 -4.88 105.19 102.77 3f6s n GLY 29 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.40 0.51 3.89 -0.02 0.00 -0.29 -5.04 105.19 104.64 3f6s n GLY 30 Ca 0.17 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.47 -0.30 1.61 4.02 -1.20 -4.73 115.29 116.16 3f6s s HIS 31 Ca 0.00 0.26 -0.19 0.00 1.02 0.00 0.00 55.06 56.15 3f6s s HIS 31 Cb 0.00 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.58 29.78 3f6s s HIS 31 CO 0.00 0.60 0.58 -1.21 1.02 0.00 0.00 174.74 175.73 3f6s s GLU 32 N -2.23 3.90 0.15 1.40 2.02 -0.89 -4.07 118.70 118.98 3f6s s GLU 32 Ca 0.31 0.23 0.08 0.00 0.02 0.00 0.00 54.97 55.60 3f6s s GLU 32 Cb -0.13 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 3f6s s GLU 32 CO 0.23 -0.52 -0.08 0.08 0.02 0.00 0.00 175.26 174.99 3f6s s VAL 33 N 2.49 3.37 -0.07 2.63 1.01 -1.26 -0.92 120.40 127.65 3f6s s VAL 33 Ca 0.23 -1.44 0.03 0.00 0.00 0.00 0.00 61.98 60.79 3f6s s VAL 33 Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3f6s s VAL 33 CO 0.11 -0.01 -0.14 -0.89 0.00 0.00 0.00 175.10 174.17 3f6s s THR 34 N -1.49 1.29 -0.10 3.92 2.01 0.77 -4.92 115.64 117.11 3f6s s THR 34 Ca 0.24 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 3f6s s THR 34 Cb -0.10 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 3f6s s THR 34 CO 0.15 0.39 0.04 -0.22 -0.69 0.00 0.00 174.62 174.29 3f6s s LEU 35 N 0.54 3.81 -0.27 4.42 2.96 -1.26 -0.50 118.68 128.38 3f6s s LEU 35 Ca -0.14 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 3f6s s LEU 35 Cb -0.16 -1.89 0.16 0.00 0.50 0.00 0.00 46.19 44.80 3f6s s LEU 35 CO 0.04 0.37 0.46 -0.22 -1.32 0.00 0.00 176.35 175.69 3f6s s LEU 36 N -0.83 -0.96 0.21 -0.68 0.20 -0.57 -4.96 118.68 111.10 3f6s s LEU 36 Ca 0.13 0.27 -0.31 0.00 0.69 0.00 0.00 54.13 54.91 3f6s s LEU 36 Cb -0.12 1.48 -0.11 0.00 -0.43 0.00 0.00 46.19 47.01 3f6s s LEU 36 CO 0.03 -0.30 1.56 0.21 -0.29 0.00 0.00 176.35 177.56 3f6s s ASN 37 N 2.65 6.54 0.29 3.68 3.84 -1.26 -2.12 114.94 128.56 3f6s s ASN 37 Ca 0.14 2.72 0.04 0.00 0.21 0.00 0.00 52.86 55.97 3f6s s ASN 37 Cb -0.14 -2.61 0.70 0.00 -0.55 0.00 0.00 41.25 38.65 3f6s s ASN 37 CO -0.21 -0.83 1.74 0.00 -2.79 0.00 0.00 177.10 175.00 3f6s h ALA 38 N 6.07 1.50 0.00 1.71 0.00 -0.59 0.25 119.26 128.19 3f6s h ALA 38 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3f6s h ALA 38 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3f6s h ALA 38 CO 0.87 -0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.95 3f6s n ALA 39 N -2.41 0.97 0.44 0.00 0.00 -1.26 -1.09 120.51 117.16 3f6s n ALA 39 Ca 0.22 0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.78 3f6s n ALA 39 Cb 0.59 -1.07 0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.77 1.34 -4.82 0.00 8.00 0.07 -5.03 116.55 114.34 3f6s n ASP 40 Ca -0.01 -1.17 -0.35 0.00 0.71 0.00 0.00 54.79 53.98 3f6s n ASP 40 Cb 0.04 0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.25 3.32 -0.21 2.24 0.00 -0.25 -5.03 121.76 120.58 3f6s s ALA 41 Ca 0.09 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 3f6s s ALA 41 Cb 0.08 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3f6s s ALA 41 CO 0.23 0.29 0.04 -1.12 0.00 0.00 0.00 175.76 175.19 3f6s s SER 42 N -1.87 5.12 0.24 0.00 0.01 -1.26 -5.01 113.70 110.93 3f6s s SER 42 Ca 0.49 -0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.57 3f6s s SER 42 Cb -0.14 -1.89 0.25 0.00 0.21 0.00 0.00 66.02 64.45 3f6s s SER 42 CO 0.20 0.06 1.74 0.00 0.41 0.00 0.00 173.24 175.65 3f6s h ALA 43 N 7.50 1.04 -1.58 1.44 0.00 -1.94 -3.37 119.26 122.35 3f6s h ALA 43 Ca -0.36 -0.26 -0.64 0.00 0.00 0.00 0.00 54.91 53.65 3f6s h ALA 43 Cb 1.18 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3f6s h ALA 43 CO 0.62 0.61 1.30 -1.91 0.00 0.00 0.00 179.25 179.86 3f6s n GLU 44 N -4.22 1.59 -1.59 0.00 4.07 -1.26 -1.69 120.64 117.54 3f6s n GLU 44 Ca 0.04 0.51 -0.20 0.00 -0.06 0.00 0.00 57.16 57.44 3f6s n GLU 44 Cb 0.28 -2.64 -0.09 0.00 -0.06 0.00 0.00 31.44 28.94 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 8.87 -5.45 -0.31 4.31 3.02 -0.68 -4.85 115.26 120.17 3f6s n ASN 45 Ca 0.32 0.51 0.11 0.00 -0.03 0.00 0.00 54.58 55.49 3f6s n ASN 45 Cb 0.28 -4.79 0.28 0.00 -0.61 0.00 0.00 39.78 34.94 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 0.48 -0.08 3.41 5.85 -1.19 -1.76 115.31 122.02 3f6s h LEU 46 Ca -0.42 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3f6s h LEU 46 Cb 1.34 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3f6s h LEU 46 CO 0.61 0.12 -0.11 0.00 -0.34 0.00 0.00 178.44 178.73 3f6s n ALA 47 N -2.43 2.68 -1.72 1.25 0.00 -1.11 -4.88 120.51 114.30 3f6s n ALA 47 Ca 0.21 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3f6s n ALA 47 Cb 0.57 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 3f6s n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3f6s n ASP 48 N -1.26 3.52 0.00 0.00 9.92 -0.67 -1.90 116.55 126.16 3f6s n ASP 48 Ca 0.11 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 3f6s n ASP 48 Cb 0.30 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 3f6s n ASP 48 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3f6s n GLY 49 N 2.39 1.19 3.69 0.44 0.00 -1.26 -5.03 105.19 106.61 3f6s n GLY 49 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.63 3.23 -0.01 1.61 1.51 -0.80 -4.82 117.35 114.44 3f6s s TYR 50 Ca 0.00 0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 56.05 3f6s s TYR 50 Cb 0.00 -1.86 -0.25 0.00 -0.11 0.00 0.00 41.96 39.74 3f6s s TYR 50 CO 0.00 0.43 1.06 -0.44 -1.11 0.00 0.00 175.55 175.48 3f6s h ASP 51 N 5.46 0.52 -4.38 2.29 3.32 -1.22 -3.46 116.42 118.93 3f6s h ASP 51 Ca -0.48 -0.80 -0.43 0.00 0.02 0.00 0.00 57.03 55.34 3f6s h ASP 51 Cb 1.19 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.35 3f6s h ASP 51 CO 0.58 1.25 -0.79 0.00 -1.72 0.00 0.00 179.24 178.56 3f6s s ALA 52 N -3.05 1.15 -0.17 3.45 0.00 -1.18 -3.36 121.76 118.60 3f6s s ALA 52 Ca -0.13 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 50.95 3f6s s ALA 52 Cb 0.03 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3f6s s ALA 52 CO 0.82 0.20 -0.15 0.08 0.00 0.00 0.00 175.76 176.71 3f6s s VAL 53 N -1.01 1.72 -0.30 0.00 1.01 -0.60 -1.79 120.40 119.44 3f6s s VAL 53 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 3f6s s VAL 53 Cb -0.09 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3f6s s VAL 53 CO 0.02 0.43 0.25 -0.76 0.00 0.00 0.00 175.10 175.03 3f6s s LEU 54 N 1.42 4.16 -0.20 3.92 1.43 0.20 -2.19 118.68 127.41 3f6s s LEU 54 Ca 0.04 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 3f6s s LEU 54 Cb -0.13 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 3f6s s LEU 54 CO -0.11 -0.14 0.20 -0.36 0.23 0.00 0.00 176.35 176.18 3f6s s PHE 55 N 1.83 3.39 -0.06 0.29 0.40 -0.25 -1.02 117.98 122.56 3f6s s PHE 55 Ca 0.09 0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 3f6s s PHE 55 Cb -0.16 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 3f6s s PHE 55 CO 0.11 0.18 -0.24 0.20 0.70 0.00 0.00 175.22 176.16 3f6s s GLY 56 N 0.66 1.31 -0.29 4.36 0.00 0.11 -1.18 107.32 112.30 3f6s s GLY 56 Ca 0.11 -1.05 -0.14 0.00 0.00 0.00 0.00 44.72 43.64 3f6s s GLY 56 CO 0.02 -0.67 0.74 0.00 0.00 0.00 0.00 173.10 173.19 3f6s s SER 58 N 2.14 5.66 0.07 0.00 1.04 -1.21 -4.55 113.70 116.84 3f6s s SER 58 Ca -0.08 0.69 0.07 0.00 0.48 0.00 0.00 55.95 57.11 3f6s s SER 58 Cb -0.07 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.28 3f6s s SER 58 CO -0.19 -1.00 -0.14 0.00 0.98 0.00 0.00 173.24 172.89 3f6s s ALA 59 N -2.94 2.78 -0.01 5.32 0.00 -1.26 -0.29 121.76 125.36 3f6s s ALA 59 Ca 0.53 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3f6s s ALA 59 Cb -0.10 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.20 3f6s s ALA 59 CO 0.44 0.60 0.77 0.91 0.00 0.00 0.00 175.76 178.49 3f6s n TRP 60 N 1.18 0.00 -3.03 0.00 7.02 0.45 -4.89 117.44 118.16 3f6s n TRP 60 Ca -0.15 -0.07 -0.37 0.00 -1.02 0.00 0.00 57.50 55.88 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 -0.62 2.74 -0.04 6.99 0.00 -1.23 -4.92 107.32 110.24 3f6s s GLY 61 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 3f6s s GLY 61 CO 0.00 0.68 0.08 1.98 0.00 0.00 0.00 173.10 175.84 3f6s h MET 62 N 3.74 -0.04 0.05 2.90 4.05 -1.97 -3.42 114.93 120.24 3f6s h MET 62 Ca -0.48 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.94 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 0.65 -0.02 -0.02 0.93 0.23 0.00 0.00 176.91 178.68 3f6s h GLU 63 N -0.41 -0.06 -6.21 0.39 5.08 -2.04 -3.44 114.58 107.87 3f6s h GLU 63 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3f6s h GLU 63 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3f6s h GLU 63 CO 0.01 0.33 -0.43 -0.51 -1.00 0.00 0.00 179.01 177.41 3f6s s ASP 64 N -5.71 6.14 -0.08 1.42 1.11 -1.26 -4.93 116.67 113.35 3f6s s ASP 64 Ca -0.08 -0.03 -0.29 0.00 0.18 0.00 0.00 52.55 52.32 3f6s s ASP 64 Cb -0.01 -1.68 -0.06 0.00 1.07 0.00 0.00 42.92 42.25 3f6s s ASP 64 CO 0.31 -0.13 1.86 -0.22 1.18 0.00 0.00 175.17 178.16 3f6s s LEU 65 N -4.00 4.12 -0.12 1.23 1.98 -1.26 -4.05 118.68 116.59 3f6s s LEU 65 Ca 0.36 2.20 -0.01 0.00 -2.89 0.00 0.00 54.13 53.79 3f6s s LEU 65 Cb -0.09 -3.53 0.03 0.00 0.66 0.00 0.00 46.19 43.27 3f6s s LEU 65 CO 0.29 -1.22 -0.04 -0.70 -1.89 0.00 0.00 176.35 172.79 3f6s s GLU 66 N 4.72 1.18 0.72 1.98 2.12 -1.26 -4.91 118.70 123.24 3f6s s GLU 66 Ca 0.83 -0.24 -0.14 0.00 0.36 0.00 0.00 54.97 55.78 3f6s s GLU 66 Cb -0.35 -1.58 0.03 0.00 0.26 0.00 0.00 34.13 32.49 3f6s s GLU 66 CO 0.35 -0.35 1.12 -1.64 -0.54 0.00 0.00 175.26 174.20 3f6s s MET 67 N 1.77 2.44 0.36 4.30 -1.94 -1.26 -0.42 119.30 124.55 3f6s s MET 67 Ca 0.03 1.41 -0.27 0.00 -1.71 0.00 0.00 55.69 55.15 3f6s s MET 67 Cb -0.14 -1.90 -0.12 0.00 2.01 0.00 0.00 34.83 34.68 3f6s s MET 67 CO -0.07 -1.54 1.26 0.94 -0.01 0.00 0.00 175.02 175.60 3f6s n GLN 68 N -2.85 2.01 -0.36 2.03 0.00 0.60 -4.61 117.38 114.21 3f6s n GLN 68 Ca 0.11 0.71 0.09 0.00 -0.00 0.00 0.00 57.00 57.91 3f6s n GLN 68 Cb 0.52 -2.30 0.27 0.00 0.00 0.00 0.00 30.24 28.73 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 2.37 0.86 -0.09 1.69 1.82 -1.93 -0.09 116.42 121.05 3f6s h ASP 69 Ca -0.46 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.21 3f6s h ASP 69 Cb 1.29 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 3f6s h ASP 69 CO 0.62 0.40 -0.08 0.44 -1.61 0.00 0.00 179.24 179.01 3f6s h ASP 70 N 0.89 0.23 -0.26 2.28 3.32 -1.95 -3.20 116.42 117.73 3f6s h ASP 70 Ca 0.53 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 3f6s h ASP 70 Cb 0.65 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3f6s h ASP 70 CO -0.31 0.65 -0.09 0.15 -1.72 0.00 0.00 179.24 177.92 3f6s h PHE 71 N -0.19 0.70 -0.39 4.55 3.57 -1.65 -3.08 116.94 120.44 3f6s h PHE 71 Ca 0.02 -0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.49 3f6s h PHE 71 Cb 0.58 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 3f6s h PHE 71 CO 0.08 0.71 -0.10 1.25 -2.23 0.00 0.00 178.31 178.03 3f6s h LEU 72 N 0.60 -0.37 -1.49 0.59 5.85 -1.04 0.24 115.31 119.68 3f6s h LEU 72 Ca 0.11 0.12 0.11 0.00 0.84 0.00 0.00 57.88 59.06 3f6s h LEU 72 Cb 0.51 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 3f6s h LEU 72 CO 0.03 -0.13 0.48 0.28 -0.34 0.00 0.00 178.44 178.76 3f6s h SER 73 N -0.00 0.50 0.94 1.25 0.02 -1.55 -1.37 113.55 113.33 3f6s h SER 73 Ca 0.19 0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.95 3f6s h SER 73 Cb 0.29 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3f6s h SER 73 CO -0.40 0.29 -1.12 0.25 -1.14 0.00 0.00 176.83 174.70 3f6s h LEU 74 N 0.55 0.00 -0.96 5.07 5.85 -1.19 -3.31 115.31 121.32 3f6s h LEU 74 Ca 0.34 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.97 3f6s h LEU 74 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3f6s h LEU 74 CO -0.12 0.88 -0.44 0.15 -0.34 0.00 0.00 178.44 178.57 3f6s h PHE 75 N 0.00 0.00 0.00 1.25 3.57 0.49 -2.32 116.94 119.93 3f6s h PHE 75 Ca -0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3f6s h PHE 75 Cb 1.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.49 3f6s h PHE 75 CO 0.00 0.44 0.00 0.39 -2.23 0.00 0.00 178.31 176.91 3f6s n GLU 76 N -3.69 0.17 -0.45 1.11 1.02 -0.87 -2.90 120.64 115.03 3f6s n GLU 76 Ca -0.01 0.24 0.06 0.00 -0.02 0.00 0.00 57.16 57.44 3f6s n GLU 76 Cb 0.52 -1.74 0.23 0.00 -0.02 0.00 0.00 31.44 30.42 3f6s n GLU 76 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3f6s n GLU 77 N -2.05 2.39 0.19 3.49 1.02 -0.89 -4.65 120.64 120.14 3f6s n GLU 77 Ca 0.05 -2.87 0.18 0.00 -0.02 0.00 0.00 57.16 54.49 3f6s n GLU 77 Cb 0.33 -1.78 0.82 0.00 -0.02 0.00 0.00 31.44 30.80 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 1.30 0.00 0.00 -0.32 -1.00 -1.38 0.05 116.94 115.59 3f6s h PHE 78 Ca 0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 3f6s h PHE 78 Cb 1.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.96 3f6s h PHE 78 CO 0.52 0.00 -0.18 0.38 -1.61 0.00 0.00 178.31 177.41 3f6s h ASP 79 N 0.00 0.00 0.54 2.17 2.03 -1.86 -3.11 116.42 116.19 3f6s h ASP 79 Ca 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3f6s h ASP 79 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3f6s h ASP 79 CO -0.00 0.18 -0.99 0.54 -1.03 0.00 0.00 179.24 177.94 3f6s n ARG 80 N -3.47 0.33 -0.18 4.15 1.74 0.00 -4.35 116.66 114.88 3f6s n ARG 80 Ca -0.01 0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.04 3f6s n ARG 80 Cb 0.35 -1.63 0.11 0.00 -1.02 0.00 0.00 32.46 30.28 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 1.25 -1.79 0.55 2.04 -1.51 -1.82 117.51 116.23 3f6s h ILE 81 Ca 0.00 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3f6s h ILE 81 Cb 0.77 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3f6s h ILE 81 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.11 3f6s n GLY 82 N -0.70 0.79 0.19 5.37 0.00 -1.26 -2.75 105.19 106.83 3f6s n GLY 82 Ca 0.04 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.85 1.07 -4.62 0.99 4.77 -1.26 -4.67 117.00 112.44 3f6s n LEU 83 Ca 0.00 -0.32 -0.47 0.00 -0.03 0.00 0.00 56.01 55.18 3f6s n LEU 83 Cb 0.30 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3f6s n LEU 83 CO 0.00 0.22 1.63 0.00 -1.33 0.00 0.00 177.39 177.91 3f6s n ALA 84 N -0.89 1.13 -0.72 -1.18 0.00 -1.20 -0.54 120.51 117.12 3f6s n ALA 84 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3f6s n ALA 84 Cb 0.36 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 5.08 0.91 3.83 0.00 0.00 0.62 -4.92 105.19 110.69 3f6s n GLY 85 Ca 0.27 0.00 -0.37 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 -0.26 3.81 0.35 1.61 0.52 0.30 -4.76 118.95 120.52 3f6s s ARG 86 Ca 0.00 0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 55.03 3f6s s ARG 86 Cb 0.00 -3.26 -0.10 0.00 0.52 0.00 0.00 34.95 32.11 3f6s s ARG 86 CO 0.00 0.61 1.35 0.15 0.02 0.00 0.00 175.30 177.43 3f6s s LYS 87 N -0.66 4.25 -0.00 3.54 1.02 -1.21 -0.60 119.74 126.07 3f6s s LYS 87 Ca 0.18 2.29 -0.05 0.00 0.02 0.00 0.00 55.97 58.41 3f6s s LYS 87 Cb -0.14 -3.01 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 3f6s s LYS 87 CO 0.07 -0.30 0.10 0.08 -0.92 0.00 0.00 175.35 174.38 3f6s s VAL 88 N -1.15 0.08 0.11 3.17 1.01 0.18 -1.56 120.40 122.24 3f6s s VAL 88 Ca 0.51 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3f6s s VAL 88 Cb -0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3f6s s VAL 88 CO 0.55 -0.35 0.19 0.00 0.00 0.00 0.00 175.10 175.49 3f6s s ALA 89 N -1.20 -0.07 0.01 5.51 0.00 -0.93 -1.50 121.76 123.58 3f6s s ALA 89 Ca -0.13 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.10 3f6s s ALA 89 Cb -0.07 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 3f6s s ALA 89 CO 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 175.76 175.14 3f6s s ALA 90 N -3.90 0.84 0.21 0.00 0.00 -1.26 -1.09 121.76 116.55 3f6s s ALA 90 Ca 0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3f6s s ALA 90 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3f6s s ALA 90 CO -0.08 0.18 0.18 -0.59 0.00 0.00 0.00 175.76 175.45 3f6s s PHE 91 N -0.43 1.06 0.00 0.00 -0.71 -0.32 -0.02 117.98 117.57 3f6s s PHE 91 Ca 0.02 -1.30 0.00 0.00 -1.04 0.00 0.00 56.93 54.61 3f6s s PHE 91 Cb -0.05 -0.46 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 3f6s s PHE 91 CO -0.00 -0.69 0.00 0.00 -1.34 0.00 0.00 175.22 173.19 3f6s n ALA 92 N -0.29 0.00 -2.89 1.99 0.00 -1.15 -1.95 120.51 116.22 3f6s n ALA 92 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 3f6s n ALA 92 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.06 3f6s n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3f6s s SER 93 N 0.00 6.38 0.22 0.00 0.15 -1.26 -3.03 113.70 116.16 3f6s s SER 93 Ca 0.00 0.33 -0.10 0.00 0.70 0.00 0.00 55.95 56.88 3f6s s SER 93 Cb 0.00 -1.98 0.04 0.00 -1.71 0.00 0.00 66.02 62.36 3f6s s SER 93 CO 0.00 0.17 0.52 0.61 1.20 0.00 0.00 173.24 175.74 3f6s n GLY 94 N 0.39 1.28 3.13 9.45 0.00 -0.58 -4.34 105.19 114.52 3f6s n GLY 94 Ca -0.06 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.32 2.82 0.51 1.61 -1.08 -1.26 -4.25 116.67 112.70 3f6s s ASP 95 Ca 0.11 -0.53 0.24 0.00 -0.52 0.00 0.00 52.55 51.85 3f6s s ASP 95 Cb -0.03 -1.29 1.38 0.00 -1.46 0.00 0.00 42.92 41.52 3f6s s ASP 95 CO 0.07 0.06 2.07 1.56 0.52 0.00 0.00 175.17 179.45 3f6s h GLN 96 N 7.29 0.00 0.00 4.34 4.20 -2.00 -1.04 115.11 127.90 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 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 3f6s h GLN 96 CO 0.52 0.12 0.00 0.39 -0.67 0.00 0.00 178.83 179.19 3f6s n GLU 97 N -3.82 0.61 -4.07 1.46 1.02 -1.26 -4.66 120.64 109.92 3f6s n GLU 97 Ca -0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.83 3f6s n GLU 97 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 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 -2.02 3.14 -0.28 -0.32 1.51 -0.39 -5.04 117.35 113.95 3f6s s TYR 98 Ca 0.30 0.04 0.28 0.00 -1.01 0.00 0.00 57.07 56.67 3f6s s TYR 98 Cb 0.14 -1.58 0.97 0.00 -0.11 0.00 0.00 41.96 41.37 3f6s s TYR 98 CO 0.23 0.51 1.81 1.49 -1.11 0.00 0.00 175.55 178.48 3f6s h GLU 99 N 3.15 0.00 -2.10 -0.62 4.81 -1.84 -3.30 114.58 114.69 3f6s h GLU 99 Ca -0.47 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.16 3f6s h GLU 99 Cb 1.17 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 30.14 3f6s h GLU 99 CO 0.64 0.00 -0.57 0.72 -0.73 0.00 0.00 179.01 179.07 3f6s n HIS 100 N -2.76 3.85 -1.40 0.92 8.25 -1.26 -5.06 115.22 117.76 3f6s n HIS 100 Ca 0.02 -3.71 -0.52 0.00 -0.26 0.00 0.00 57.72 53.25 3f6s n HIS 100 Cb 0.36 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 30.95 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 -0.30 1.47 -3.24 4.41 7.35 -1.24 -0.38 117.46 125.53 3f6s n PHE 101 Ca 0.34 0.39 -0.22 0.00 -0.76 0.00 0.00 57.45 57.19 3f6s n PHE 101 Cb 0.45 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.81 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 -1.22 -0.84 0.20 0.00 0.00 0.49 -1.51 105.19 102.31 3f6s n GLY 103 Ca -0.04 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 2.02 1.38 -0.01 4.61 0.00 -1.83 -3.11 119.26 122.32 3f6s h ALA 104 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3f6s h ALA 104 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3f6s h ALA 104 CO 0.00 0.38 -0.00 0.28 0.00 0.00 0.00 179.25 179.91 3f6s h VAL 105 N 0.00 1.27 -0.30 0.00 2.07 -1.55 0.34 116.25 118.08 3f6s h VAL 105 Ca -0.00 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3f6s h VAL 105 Cb 0.58 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3f6s h VAL 105 CO 0.04 0.21 -0.09 1.55 0.02 0.00 0.00 177.57 179.29 3f6s h PRO 106 N -0.31 0.49 -0.85 1.57 0.13 -1.74 -0.09 132.00 131.21 3f6s h PRO 106 Ca 0.00 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 3f6s h PRO 106 Cb 0.34 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.37 3f6s h PRO 106 CO 0.00 0.59 0.42 0.00 -0.23 0.00 0.00 178.00 178.79 3f6s h ALA 107 N 1.44 1.13 -0.25 -0.56 0.00 -1.41 0.36 119.26 119.97 3f6s h ALA 107 Ca 0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3f6s h ALA 107 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3f6s h ALA 107 CO 0.02 0.66 -0.14 0.82 0.00 0.00 0.00 179.25 180.61 3f6s h ILE 108 N 1.21 1.30 -0.48 0.00 2.04 0.06 -2.43 117.51 119.21 3f6s h ILE 108 Ca 0.30 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3f6s h ILE 108 Cb 0.10 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3f6s h ILE 108 CO -0.04 0.39 0.09 -0.33 0.00 0.00 0.00 178.15 178.26 3f6s h GLU 109 N 0.27 0.78 -0.44 2.37 5.08 -0.72 -0.95 114.58 120.96 3f6s h GLU 109 Ca 0.05 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3f6s h GLU 109 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3f6s h GLU 109 CO 0.04 0.78 -0.11 0.93 -1.00 0.00 0.00 179.01 179.65 3f6s h GLU 110 N 0.65 0.86 0.00 2.33 3.07 -0.98 -0.81 114.58 119.70 3f6s h GLU 110 Ca 0.15 -0.33 -0.09 0.00 -0.50 0.00 0.00 59.36 58.59 3f6s h GLU 110 Cb 0.37 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3f6s h GLU 110 CO 0.01 0.96 -0.44 -0.09 -1.40 0.00 0.00 179.01 178.05 3f6s h ARG 111 N 0.69 0.00 -0.25 2.33 9.65 -1.36 -2.16 114.38 123.28 3f6s h ARG 111 Ca 0.11 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.86 3f6s h ARG 111 Cb 0.65 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3f6s h ARG 111 CO 0.04 0.44 -0.37 0.00 2.80 0.00 0.00 179.97 182.88 3f6s h ALA 112 N 1.56 0.38 -0.32 2.80 0.00 -1.01 -3.22 119.26 119.45 3f6s h ALA 112 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3f6s h ALA 112 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3f6s h ALA 112 CO 0.06 0.46 0.04 0.87 0.00 0.00 0.00 179.25 180.68 3f6s h LYS 113 N 0.41 0.54 -0.24 0.00 1.57 -0.79 -0.81 116.57 117.24 3f6s h LYS 113 Ca 0.02 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3f6s h LYS 113 Cb 0.96 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3f6s h LYS 113 CO 0.09 0.63 0.27 0.93 -0.57 0.00 0.00 179.45 180.80 3f6s h GLU 114 N 0.36 0.00 -0.18 3.15 5.08 -1.50 -2.12 114.58 119.36 3f6s h GLU 114 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3f6s h GLU 114 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3f6s h GLU 114 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 3f6s n LEU 115 N -3.78 2.76 0.00 1.33 4.77 -0.85 -4.91 117.00 116.32 3f6s n LEU 115 Ca 0.03 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3f6s n LEU 115 Cb 0.40 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3f6s n LEU 115 CO 0.27 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3f6s n GLY 116 N 1.35 0.86 3.78 -0.72 0.00 -0.80 -3.22 105.19 106.43 3f6s n GLY 116 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 3.19 -0.31 4.61 0.00 -0.37 -0.28 121.76 126.60 3f6s s ALA 117 Ca 0.00 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 3f6s s ALA 117 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3f6s s ALA 117 CO 0.00 0.05 0.45 0.99 0.00 0.00 0.00 175.76 177.26 3f6s s THR 118 N -1.60 5.09 -0.16 0.00 2.01 0.24 -4.40 115.64 116.82 3f6s s THR 118 Ca 0.52 0.43 -0.27 0.00 0.31 0.00 0.00 61.69 62.68 3f6s s THR 118 Cb -0.20 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 3f6s s THR 118 CO 0.26 -0.06 0.91 -0.63 -0.69 0.00 0.00 174.62 174.41 3f6s s ILE 119 N 2.24 4.82 -0.69 1.82 -1.09 -1.26 0.52 121.20 127.56 3f6s s ILE 119 Ca 0.17 1.80 0.08 0.00 -2.23 0.00 0.00 60.65 60.46 3f6s s ILE 119 Cb -0.16 -4.21 0.20 0.00 -1.58 0.00 0.00 42.46 36.71 3f6s s ILE 119 CO 0.12 -0.01 1.13 2.30 -1.23 0.00 0.00 174.94 177.24 3f6s n ILE 120 N 4.79 0.88 -3.60 2.92 -5.35 -0.56 -4.91 119.36 113.53 3f6s n ILE 120 Ca 0.07 -0.94 -0.10 0.00 -0.27 0.00 0.00 62.75 61.51 3f6s n ILE 120 Cb 0.48 0.58 -0.06 0.00 -1.74 0.00 0.00 39.64 38.91 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 -0.96 -1.96 0.09 -1.28 0.00 -1.26 -4.61 121.76 111.79 3f6s s ALA 121 Ca 0.15 1.67 -0.33 0.00 0.00 0.00 0.00 51.96 53.45 3f6s s ALA 121 Cb 0.08 -0.94 -0.12 0.00 0.00 0.00 0.00 23.12 22.14 3f6s s ALA 121 CO 0.11 -0.28 1.75 -1.91 0.00 0.00 0.00 175.76 175.43 3f6s n GLU 122 N 1.08 2.42 -1.64 0.00 2.13 -1.26 -4.74 120.64 118.62 3f6s n GLU 122 Ca -0.10 0.88 -0.38 0.00 0.66 0.00 0.00 57.16 58.22 3f6s n GLU 122 Cb 0.57 -2.71 0.05 0.00 0.27 0.00 0.00 31.44 29.62 3f6s n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f6s n GLY 123 N 3.97 -0.13 3.71 8.31 0.00 -1.26 -4.92 105.19 114.87 3f6s n GLY 123 Ca 0.19 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.39 4.28 -0.28 0.99 2.96 0.97 -4.98 118.68 120.23 3f6s s LEU 124 Ca 0.76 1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 55.75 3f6s s LEU 124 Cb -0.42 -3.03 0.10 0.00 0.50 0.00 0.00 46.19 43.34 3f6s s LEU 124 CO 0.47 -0.14 0.11 -0.54 -1.32 0.00 0.00 176.35 174.93 3f6s s LYS 125 N 0.99 0.36 0.00 1.98 1.02 -1.26 -2.96 119.74 119.87 3f6s s LYS 125 Ca 0.35 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.69 3f6s s LYS 125 Cb -0.17 -1.49 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 3f6s s LYS 125 CO 0.16 -0.97 0.00 0.00 -0.92 0.00 0.00 175.35 173.62 3f6s n MET 126 N 5.12 0.23 -4.39 1.68 0.00 -1.17 -5.06 117.12 113.54 3f6s n MET 126 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.46 3f6s n MET 126 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.54 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 -1.84 1.47 1.82 3.17 2.02 -1.26 -1.53 118.70 122.54 3f6s s GLU 127 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3f6s s GLU 127 Cb 0.00 -0.86 0.00 0.00 0.10 0.00 0.00 34.13 33.37 3f6s s GLU 127 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.63 3f6s n GLY 128 N -0.52 -0.22 0.63 -1.39 0.00 -1.26 -4.59 105.19 97.83 3f6s n GLY 128 Ca -0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.22 -0.50 -0.19 1.61 3.85 -1.26 -4.73 116.55 112.11 3f6s n ASP 129 Ca 0.00 -0.88 -0.00 0.00 -0.71 0.00 0.00 54.79 53.20 3f6s n ASP 129 Cb 0.00 -0.17 0.24 0.00 -1.35 0.00 0.00 41.12 39.84 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 -2.03 1.41 -0.15 2.12 0.00 -1.78 -2.75 119.26 116.07 3f6s h ALA 130 Ca -0.07 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3f6s h ALA 130 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3f6s h ALA 130 CO 0.05 0.50 -0.43 0.66 0.00 0.00 0.00 179.25 180.03 3f6s h SER 131 N 0.95 0.37 0.00 0.00 4.64 -1.92 -2.96 113.55 114.62 3f6s h SER 131 Ca 0.25 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3f6s h SER 131 Cb -0.01 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3f6s h SER 131 CO -0.04 0.76 0.13 -1.13 -0.87 0.00 0.00 176.83 175.68 3f6s h ASN 132 N 0.29 0.00 0.00 4.97 -1.24 -1.77 -3.31 115.58 114.52 3f6s h ASN 132 Ca 0.02 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.81 3f6s h ASN 132 Cb 0.88 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.78 3f6s h ASN 132 CO 0.07 0.00 -0.47 -0.67 -1.29 0.00 0.00 177.43 175.08 3f6s n ASP 133 N -2.82 -2.70 0.27 1.15 -0.08 -1.13 -5.00 116.55 106.25 3f6s n ASP 133 Ca -0.02 -3.43 0.12 0.00 -1.51 0.00 0.00 54.79 49.95 3f6s n ASP 133 Cb 0.19 1.86 0.76 0.00 2.34 0.00 0.00 41.12 46.27 3f6s n ASP 133 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3f6s h PRO 134 N 3.64 0.00 0.00 -0.67 0.13 -1.63 -2.49 132.00 130.99 3f6s h PRO 134 Ca -0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.84 3f6s h PRO 134 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3f6s h PRO 134 CO 0.26 0.04 -0.75 0.93 -0.23 0.00 0.00 178.00 178.25 3f6s h GLU 135 N 0.00 0.00 0.07 0.86 5.08 -1.94 -2.06 114.58 116.60 3f6s h GLU 135 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 3f6s h GLU 135 Cb 0.10 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.37 3f6s h GLU 135 CO 0.01 0.75 -1.11 0.00 -1.00 0.00 0.00 179.01 177.66 3f6s h ALA 136 N 1.25 0.03 -0.25 3.43 0.00 -1.85 -1.81 119.26 120.07 3f6s h ALA 136 Ca -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 3f6s h ALA 136 Cb 1.56 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3f6s h ALA 136 CO 0.10 0.64 0.13 0.28 0.00 0.00 0.00 179.25 180.40 3f6s h VAL 137 N 0.25 1.12 -0.57 0.00 2.07 -1.56 -1.85 116.25 115.71 3f6s h VAL 137 Ca -0.16 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3f6s h VAL 137 Cb 1.78 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 3f6s h VAL 137 CO 0.21 0.12 0.36 0.00 0.02 0.00 0.00 177.57 178.28 3f6s h ALA 138 N 1.01 0.72 -0.36 1.67 0.00 -1.43 -1.00 119.26 119.87 3f6s h ALA 138 Ca 0.09 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3f6s h ALA 138 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3f6s h ALA 138 CO -0.01 0.18 0.10 1.03 0.00 0.00 0.00 179.25 180.55 3f6s h SER 139 N 0.77 0.08 -0.38 0.00 0.87 -1.22 -0.63 113.55 113.04 3f6s h SER 139 Ca 0.21 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 3f6s h SER 139 Cb -0.05 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3f6s h SER 139 CO -0.04 0.08 -0.07 0.15 -0.53 0.00 0.00 176.83 176.43 3f6s h PHE 140 N 0.24 0.87 -0.29 2.24 3.57 -0.90 -2.55 116.94 120.12 3f6s h PHE 140 Ca 0.17 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3f6s h PHE 140 Cb 0.17 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3f6s h PHE 140 CO -0.16 0.84 -0.02 0.00 -2.23 0.00 0.00 178.31 176.73 3f6s h ALA 141 N 1.19 0.40 -0.38 2.41 0.00 -0.95 -2.27 119.26 119.66 3f6s h ALA 141 Ca 0.13 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.88 3f6s h ALA 141 Cb 0.54 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 3f6s h ALA 141 CO 0.03 0.17 -0.22 1.49 0.00 0.00 0.00 179.25 180.72 3f6s h GLU 142 N 0.31 -0.15 -0.54 0.00 4.81 -0.92 0.46 114.58 118.54 3f6s h GLU 142 Ca 0.08 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3f6s h GLU 142 Cb 0.47 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 3f6s h GLU 142 CO 0.02 -0.10 0.33 -0.44 -0.73 0.00 0.00 179.01 178.09 3f6s h ASP 143 N -0.16 0.53 -0.31 1.04 3.32 -1.35 -1.51 116.42 117.98 3f6s h ASP 143 Ca 0.19 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 3f6s h ASP 143 Cb 0.45 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3f6s h ASP 143 CO -0.47 0.37 -0.21 0.58 -1.72 0.00 0.00 179.24 177.78 3f6s h VAL 144 N 0.65 1.30 -0.84 -1.35 2.07 -0.86 -2.82 116.25 114.40 3f6s h VAL 144 Ca 0.22 -1.35 0.15 0.00 0.82 0.00 0.00 66.70 66.54 3f6s h VAL 144 Cb 0.02 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3f6s h VAL 144 CO -0.10 0.44 0.55 -0.07 0.02 0.00 0.00 177.57 178.41 3f6s h LEU 145 N 0.45 0.51 -0.47 2.57 3.38 0.20 -1.07 115.31 120.89 3f6s h LEU 145 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f6s h LEU 145 Cb 0.76 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3f6s h LEU 145 CO 0.06 0.25 0.00 0.11 0.09 0.00 0.00 178.44 178.95 3f6s h LYS 146 N 0.54 0.00 -0.47 1.13 1.79 -1.01 -2.20 116.57 116.35 3f6s h LYS 146 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 3f6s h LYS 146 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3f6s h LYS 146 CO -0.17 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.24 3f6s n GLN 147 N -2.45 3.01 0.00 3.15 1.13 -0.44 -5.11 117.38 116.67 3f6s n GLN 147 Ca 0.03 -2.43 0.12 0.00 -1.94 0.00 0.00 57.00 52.78 3f6s n GLN 147 Cb 0.35 -1.52 0.18 0.00 0.11 0.00 0.00 30.24 29.35 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90