#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 4.07 -0.03 1.43 1.02 -1.26 -2.21 119.74 122.76 3f6s s LYS 3 Ca 0.00 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.84 3f6s s LYS 3 Cb 0.00 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3f6s s LYS 3 CO 0.00 0.00 -0.16 0.08 -0.92 0.00 0.00 175.35 174.36 3f6s s VAL 4 N 1.22 2.95 -0.19 3.17 1.01 -0.44 -0.70 120.40 127.42 3f6s s VAL 4 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3f6s s VAL 4 Cb -0.14 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3f6s s VAL 4 CO 0.06 0.55 -0.17 -0.22 0.00 0.00 0.00 175.10 175.32 3f6s s LEU 5 N -0.84 2.34 -0.46 3.92 2.96 -0.02 -1.35 118.68 125.23 3f6s s LEU 5 Ca 0.12 -0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 3f6s s LEU 5 Cb -0.11 -1.52 0.09 0.00 0.50 0.00 0.00 46.19 45.15 3f6s s LEU 5 CO 0.01 -0.02 0.35 -0.63 -1.32 0.00 0.00 176.35 174.74 3f6s s ILE 6 N 1.31 4.72 -0.20 6.68 1.01 0.00 0.55 121.20 135.27 3f6s s ILE 6 Ca 0.04 -1.32 -0.09 0.00 0.00 0.00 0.00 60.65 59.28 3f6s s ILE 6 Cb -0.14 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 3f6s s ILE 6 CO -0.11 -0.60 0.11 -0.69 0.00 0.00 0.00 174.94 173.65 3f6s s VAL 7 N 1.52 5.19 0.04 2.92 1.01 0.85 -1.19 120.40 130.74 3f6s s VAL 7 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3f6s s VAL 7 Cb -0.25 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3f6s s VAL 7 CO 0.04 0.44 -0.07 0.72 0.00 0.00 0.00 175.10 176.23 3f6s s PHE 8 N 0.44 0.62 -0.25 5.22 -0.12 -0.92 0.40 117.98 123.37 3f6s s PHE 8 Ca 0.06 -0.56 0.02 0.00 -0.05 0.00 0.00 56.93 56.40 3f6s s PHE 8 Cb -0.12 -0.38 0.05 0.00 -0.63 0.00 0.00 43.02 41.94 3f6s s PHE 8 CO -0.01 -0.11 -0.10 0.20 -0.05 0.00 0.00 175.22 175.15 3f6s s GLY 9 N -1.73 1.63 -0.04 1.99 0.00 0.42 -0.20 107.32 109.40 3f6s s GLY 9 Ca -0.09 -1.67 0.05 0.00 0.00 0.00 0.00 44.72 43.01 3f6s s GLY 9 CO -0.01 0.57 -0.19 -0.45 0.00 0.00 0.00 173.10 173.03 3f6s s SER 10 N 1.17 2.29 -0.01 1.64 0.15 -1.26 -2.78 113.70 114.90 3f6s s SER 10 Ca -0.06 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 56.35 3f6s s SER 10 Cb -0.19 -0.54 -0.17 0.00 -1.71 0.00 0.00 66.02 63.42 3f6s s SER 10 CO -0.05 0.19 0.39 -1.20 1.20 0.00 0.00 173.24 173.76 3f6s n SER 11 N 2.98 1.38 -0.22 5.45 7.64 -1.26 -4.61 113.62 124.98 3f6s n SER 11 Ca -0.17 -0.38 0.01 0.00 1.01 0.00 0.00 58.87 59.34 3f6s n SER 11 Cb 0.53 1.30 0.02 0.00 -1.01 0.00 0.00 64.21 65.05 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 -1.62 0.36 -0.60 0.44 -2.24 -1.26 -5.02 114.28 104.33 3f6s n THR 12 Ca -0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3f6s n THR 12 Cb 0.26 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.25 0.78 0.10 3.38 0.00 -1.26 -4.95 105.19 102.98 3f6s n GLY 13 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.10 -0.28 1.61 2.35 -1.94 -1.23 115.58 115.99 3f6s h ASN 14 Ca 0.00 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.19 3f6s h ASN 14 Cb 0.00 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3f6s h ASN 14 CO 0.00 0.47 -0.13 0.74 -1.65 0.00 0.00 177.43 176.86 3f6s h THR 15 N -0.71 1.25 -0.69 2.81 2.02 -1.88 -1.92 112.91 113.79 3f6s h THR 15 Ca -0.01 -1.16 0.05 0.00 0.77 0.00 0.00 66.41 66.06 3f6s h THR 15 Cb 0.56 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 3f6s h THR 15 CO 0.02 0.39 0.40 -0.08 0.37 0.00 0.00 175.52 176.62 3f6s h GLU 16 N 0.64 0.73 -0.63 6.66 4.81 -1.89 0.18 114.58 125.08 3f6s h GLU 16 Ca 0.11 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3f6s h GLU 16 Cb 0.58 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 3f6s h GLU 16 CO 0.04 0.49 0.20 1.03 -0.73 0.00 0.00 179.01 180.04 3f6s h SER 17 N 0.76 0.90 -0.53 1.04 0.87 -0.90 -0.05 113.55 115.65 3f6s h SER 17 Ca 0.30 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3f6s h SER 17 Cb 0.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3f6s h SER 17 CO -0.16 0.87 0.27 0.40 -0.53 0.00 0.00 176.83 177.68 3f6s h ILE 18 N 0.89 1.19 -0.78 2.23 2.04 -0.58 -2.10 117.51 120.40 3f6s h ILE 18 Ca 0.20 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3f6s h ILE 18 Cb 0.28 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3f6s h ILE 18 CO -0.01 0.21 0.48 0.00 0.00 0.00 0.00 178.15 178.83 3f6s h ALA 19 N 1.11 1.00 -0.61 1.87 0.00 -0.23 0.15 119.26 122.54 3f6s h ALA 19 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3f6s h ALA 19 Cb 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3f6s h ALA 19 CO -0.03 0.45 0.27 1.96 0.00 0.00 0.00 179.25 181.91 3f6s h GLN 20 N 1.07 0.90 -0.43 0.00 4.20 -0.91 -0.46 115.11 119.48 3f6s h GLN 20 Ca 0.28 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3f6s h GLN 20 Cb -0.06 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3f6s h GLN 20 CO -0.06 0.74 0.19 -0.22 -0.67 0.00 0.00 178.83 178.82 3f6s h LYS 21 N 0.85 0.62 -0.61 1.46 1.63 -0.84 -1.53 116.57 118.16 3f6s h LYS 21 Ca 0.21 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.91 3f6s h LYS 21 Cb 0.16 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3f6s h LYS 21 CO -0.02 0.56 0.40 -0.07 -3.45 0.00 0.00 179.45 176.87 3f6s h LEU 22 N 0.55 0.70 -0.46 5.20 3.38 -0.54 -1.54 115.31 122.60 3f6s h LEU 22 Ca 0.14 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3f6s h LEU 22 Cb 0.15 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3f6s h LEU 22 CO -0.02 0.51 0.19 -0.08 0.09 0.00 0.00 178.44 179.13 3f6s h GLU 23 N 0.83 0.37 0.37 1.13 4.81 -0.76 -0.25 114.58 121.08 3f6s h GLU 23 Ca 0.22 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3f6s h GLU 23 Cb -0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3f6s h GLU 23 CO -0.05 0.24 -0.29 1.49 -0.73 0.00 0.00 179.01 179.67 3f6s h GLU 24 N 0.38 -0.64 -0.60 1.92 4.81 -0.70 -1.71 114.58 118.04 3f6s h GLU 24 Ca 0.21 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 3f6s h GLU 24 Cb 0.18 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3f6s h GLU 24 CO -0.19 -0.43 0.11 -0.07 -0.73 0.00 0.00 179.01 177.70 3f6s h LEU 25 N -0.67 0.91 -0.29 1.64 3.38 -1.10 -1.97 115.31 117.22 3f6s h LEU 25 Ca -0.03 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.55 3f6s h LEU 25 Cb 0.58 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3f6s h LEU 25 CO -0.01 0.90 -0.61 0.40 0.09 0.00 0.00 178.44 179.22 3f6s h ILE 26 N 0.91 1.28 -0.74 1.22 2.04 -0.99 -2.69 117.51 118.53 3f6s h ILE 26 Ca 0.19 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 3f6s h ILE 26 Cb 0.38 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3f6s h ILE 26 CO 0.01 0.58 0.40 0.00 0.00 0.00 0.00 178.15 179.14 3f6s h ALA 27 N 0.69 1.31 0.00 1.87 0.00 -1.26 -1.72 119.26 120.14 3f6s h ALA 27 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3f6s h ALA 27 Cb 1.22 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3f6s h ALA 27 CO 0.13 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3f6s n ALA 28 N -2.43 1.26 0.76 0.00 0.00 -0.75 -0.90 120.51 118.45 3f6s n ALA 28 Ca 0.07 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3f6s n ALA 28 Cb 0.10 -1.23 0.26 0.00 0.00 0.00 0.00 19.45 18.58 3f6s n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6s n GLY 29 N -0.88 1.11 0.63 0.00 0.00 -0.65 -4.95 105.19 100.45 3f6s n GLY 29 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.36 0.52 3.08 -0.02 0.00 -0.08 -5.06 105.19 104.99 3f6s n GLY 30 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.24 0.56 -0.31 1.61 4.02 -1.22 -4.35 115.29 113.36 3f6s s HIS 31 Ca 0.00 -0.82 -0.15 0.00 1.02 0.00 0.00 55.06 55.11 3f6s s HIS 31 Cb 0.00 -0.37 -0.02 0.00 -1.02 0.00 0.00 32.58 31.17 3f6s s HIS 31 CO 0.00 -0.24 0.36 -1.21 1.02 0.00 0.00 174.74 174.67 3f6s s GLU 32 N -2.95 3.77 0.03 1.40 8.01 -0.94 -4.32 118.70 123.70 3f6s s GLU 32 Ca -0.00 -0.23 0.01 0.00 0.01 0.00 0.00 54.97 54.76 3f6s s GLU 32 Cb 0.00 -3.74 -0.04 0.00 -4.31 0.00 0.00 34.13 26.05 3f6s s GLU 32 CO -0.05 -0.41 0.11 0.08 0.01 0.00 0.00 175.26 175.00 3f6s s VAL 33 N 2.04 4.83 -0.08 2.63 1.01 -1.26 -1.33 120.40 128.24 3f6s s VAL 33 Ca 0.13 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3f6s s VAL 33 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3f6s s VAL 33 CO 0.11 0.24 -0.19 -0.89 0.00 0.00 0.00 175.10 174.37 3f6s s THR 34 N -1.32 1.62 -0.27 3.92 2.01 -0.46 -4.96 115.64 116.17 3f6s s THR 34 Ca 0.27 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 3f6s s THR 34 Cb -0.12 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 3f6s s THR 34 CO 0.19 0.46 0.10 -0.22 -0.69 0.00 0.00 174.62 174.47 3f6s s LEU 35 N 0.40 3.70 -0.14 4.42 2.96 -1.26 -0.82 118.68 127.94 3f6s s LEU 35 Ca -0.14 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 3f6s s LEU 35 Cb -0.16 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3f6s s LEU 35 CO 0.06 -0.09 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.60 3f6s s LEU 36 N 1.62 1.86 0.19 -0.68 0.20 -0.33 -4.99 118.68 116.54 3f6s s LEU 36 Ca 0.06 -0.52 -0.30 0.00 0.69 0.00 0.00 54.13 54.06 3f6s s LEU 36 Cb -0.16 -1.25 -0.08 0.00 -0.43 0.00 0.00 46.19 44.27 3f6s s LEU 36 CO 0.05 0.01 1.21 0.21 -0.29 0.00 0.00 176.35 177.54 3f6s s ASN 37 N 1.12 7.06 0.59 3.68 3.84 -1.26 -2.16 114.94 127.81 3f6s s ASN 37 Ca -0.02 2.26 0.37 0.00 0.21 0.00 0.00 52.86 55.69 3f6s s ASN 37 Cb -0.14 -2.61 1.81 0.00 -0.55 0.00 0.00 41.25 39.76 3f6s s ASN 37 CO -0.06 -0.39 2.15 0.00 -2.79 0.00 0.00 177.10 176.01 3f6s h ALA 38 N 5.21 1.04 0.00 1.71 0.00 -0.92 -0.97 119.26 125.32 3f6s h ALA 38 Ca -0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3f6s h ALA 38 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3f6s h ALA 38 CO 0.75 0.02 -0.17 0.00 0.00 0.00 0.00 179.25 179.85 3f6s h ALA 39 N 1.98 1.05 -0.03 0.00 0.00 -1.81 -2.70 119.26 117.75 3f6s h ALA 39 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3f6s h ALA 39 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3f6s h ALA 39 CO 0.00 0.21 -0.05 -0.25 0.00 0.00 0.00 179.25 179.16 3f6s n ASP 40 N -3.36 2.72 -4.84 0.00 8.00 -0.40 -5.02 116.55 113.66 3f6s n ASP 40 Ca -0.00 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.31 3f6s n ASP 40 Cb 0.38 0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 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 -1.88 3.06 -0.14 2.24 0.00 -1.00 -4.99 121.76 119.06 3f6s s ALA 41 Ca 0.25 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3f6s s ALA 41 Cb 0.18 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.20 3f6s s ALA 41 CO 0.30 -0.16 -0.11 -1.12 0.00 0.00 0.00 175.76 174.67 3f6s s SER 42 N -2.88 2.58 0.17 0.00 0.01 -1.26 -5.04 113.70 107.28 3f6s s SER 42 Ca 0.60 -0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 3f6s s SER 42 Cb -0.10 -1.06 0.08 0.00 0.21 0.00 0.00 66.02 65.15 3f6s s SER 42 CO 0.27 -0.09 1.83 0.00 0.41 0.00 0.00 173.24 175.66 3f6s h ALA 43 N 8.09 0.65 -1.71 1.44 0.00 -1.93 -3.36 119.26 122.45 3f6s h ALA 43 Ca -0.34 -0.02 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 3f6s h ALA 43 Cb 1.13 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.75 3f6s h ALA 43 CO 0.48 0.06 0.97 -1.91 0.00 0.00 0.00 179.25 178.85 3f6s n GLU 44 N -4.76 1.50 -3.66 0.00 4.07 -1.26 -1.06 120.64 115.47 3f6s n GLU 44 Ca 0.03 0.55 -0.28 0.00 -0.06 0.00 0.00 57.16 57.41 3f6s n GLU 44 Cb 0.04 -2.29 -0.00 0.00 -0.06 0.00 0.00 31.44 29.13 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 5.84 -3.87 0.23 4.31 4.13 -0.08 -4.84 115.26 120.98 3f6s n ASN 45 Ca 0.25 -0.61 0.09 0.00 1.68 0.00 0.00 54.58 55.99 3f6s n ASN 45 Cb 0.18 -3.17 0.54 0.00 -1.54 0.00 0.00 39.78 35.80 3f6s n ASN 45 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3f6s h LEU 46 N -1.30 0.00 -0.18 3.41 5.85 -0.80 -3.11 115.31 119.18 3f6s h LEU 46 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3f6s h LEU 46 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3f6s h LEU 46 CO 0.62 0.23 -0.57 0.00 -0.34 0.00 0.00 178.44 178.38 3f6s n ALA 47 N -2.33 3.75 -1.68 1.25 0.00 -0.57 -4.93 120.51 115.99 3f6s n ALA 47 Ca -0.01 -0.44 -0.58 0.00 0.00 0.00 0.00 53.44 52.40 3f6s n ALA 47 Cb 0.34 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.22 1.92 0.00 0.00 9.92 -1.18 -0.83 116.55 125.16 3f6s n ASP 48 Ca 0.07 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 3f6s n ASP 48 Cb 0.35 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.73 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 3.68 2.07 3.86 0.44 0.00 -1.26 -5.05 105.19 108.93 3f6s n GLY 49 Ca 0.25 0.00 -0.36 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 -2.33 3.64 -0.09 1.61 1.51 -0.01 -4.82 117.35 116.85 3f6s s TYR 50 Ca 0.00 0.75 0.15 0.00 -1.01 0.00 0.00 57.07 56.96 3f6s s TYR 50 Cb 0.00 -2.12 -0.16 0.00 -0.11 0.00 0.00 41.96 39.57 3f6s s TYR 50 CO 0.00 0.63 0.80 -0.44 -1.11 0.00 0.00 175.55 175.44 3f6s h ASP 51 N 4.41 0.00 -3.45 2.29 3.32 -1.21 -3.47 116.42 118.30 3f6s h ASP 51 Ca -0.51 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 3f6s h ASP 51 Cb 1.21 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 3f6s h ASP 51 CO 0.63 0.72 -0.15 0.00 -1.72 0.00 0.00 179.24 178.72 3f6s s ALA 52 N -2.81 -1.32 -0.10 3.45 0.00 -1.03 -2.37 121.76 117.56 3f6s s ALA 52 Ca -0.03 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.64 3f6s s ALA 52 Cb 0.08 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3f6s s ALA 52 CO 0.81 -0.28 -0.14 0.08 0.00 0.00 0.00 175.76 176.24 3f6s s VAL 53 N 1.01 3.04 -0.17 0.00 1.01 0.46 -0.84 120.40 124.92 3f6s s VAL 53 Ca -0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3f6s s VAL 53 Cb -0.06 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3f6s s VAL 53 CO -0.09 0.55 -0.06 -0.76 0.00 0.00 0.00 175.10 174.73 3f6s s LEU 54 N 0.00 2.99 -0.24 3.92 1.43 0.19 -2.61 118.68 124.36 3f6s s LEU 54 Ca -0.04 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3f6s s LEU 54 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3f6s s LEU 54 CO 0.04 0.11 0.05 -0.36 0.23 0.00 0.00 176.35 176.42 3f6s s PHE 55 N 0.71 3.07 -0.06 0.29 0.40 -0.78 -0.11 117.98 121.50 3f6s s PHE 55 Ca -0.03 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 3f6s s PHE 55 Cb -0.15 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 3f6s s PHE 55 CO 0.02 -0.36 -0.09 0.20 0.70 0.00 0.00 175.22 175.69 3f6s s GLY 56 N 1.51 1.65 -0.26 4.36 0.00 0.16 -1.61 107.32 113.13 3f6s s GLY 56 Ca 0.06 -0.92 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 3f6s s GLY 56 CO 0.03 -0.70 0.54 0.00 0.00 0.00 0.00 173.10 172.97 3f6s s SER 58 N 2.77 5.24 -0.15 0.00 1.04 -1.12 -4.14 113.70 117.34 3f6s s SER 58 Ca 0.01 1.54 -0.14 0.00 0.48 0.00 0.00 55.95 57.84 3f6s s SER 58 Cb -0.13 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 3f6s s SER 58 CO -0.17 -1.53 0.31 0.00 0.98 0.00 0.00 173.24 172.83 3f6s s ALA 59 N -3.08 3.60 -0.32 5.32 0.00 -0.90 -2.64 121.76 123.74 3f6s s ALA 59 Ca 0.58 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 3f6s s ALA 59 Cb -0.14 -2.40 0.13 0.00 0.00 0.00 0.00 23.12 20.72 3f6s s ALA 59 CO 0.55 0.12 0.25 -1.58 0.00 0.00 0.00 175.76 175.11 3f6s s TRP 60 N 0.34 -0.01 0.25 0.00 0.52 -0.99 -4.92 118.94 114.13 3f6s s TRP 60 Ca 0.18 -0.76 -0.00 0.00 0.02 0.00 0.00 56.10 55.53 3f6s s TRP 60 Cb -0.13 -0.64 0.31 0.00 -1.15 0.00 0.00 33.47 31.86 3f6s s TRP 60 CO 0.05 -0.89 1.68 0.78 0.02 0.00 0.00 176.95 178.59 3f6s h GLY 61 N 7.81 0.64 0.00 0.98 0.00 -1.83 -3.32 103.07 107.35 3f6s h GLY 61 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3f6s h GLY 61 CO 0.32 0.49 0.00 1.03 0.00 0.00 0.00 176.54 178.38 3f6s n MET 62 N -4.11 3.05 0.00 4.80 2.81 -1.26 -4.53 117.12 117.89 3f6s n MET 62 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3f6s n MET 62 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 3f6s n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3f6s n GLU 63 N 0.00 0.00 -2.18 0.03 1.02 -1.26 -4.18 120.64 114.07 3f6s n GLU 63 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3f6s n GLU 63 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 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 -3.13 6.84 -0.39 1.62 1.01 -1.26 -4.85 116.67 116.51 3f6s s ASP 64 Ca 0.00 2.32 -0.17 0.00 0.71 0.00 0.00 52.55 55.41 3f6s s ASP 64 Cb 0.00 -2.59 -0.18 0.00 1.01 0.00 0.00 42.92 41.16 3f6s s ASP 64 CO 0.00 -0.64 1.47 0.18 0.21 0.00 0.00 175.17 176.39 3f6s n LEU 65 N 3.86 0.08 0.00 1.23 4.77 -1.26 -4.29 117.00 121.38 3f6s n LEU 65 Ca 0.11 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3f6s n LEU 65 Cb 0.42 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 3f6s n LEU 65 CO 0.58 -2.36 0.00 1.21 -1.33 0.00 0.00 177.39 175.49 3f6s n GLU 66 N 6.49 0.00 -3.92 3.23 2.13 -1.25 -4.87 120.64 122.46 3f6s n GLU 66 Ca 0.26 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.87 3f6s n GLU 66 Cb 0.43 -0.15 -0.03 0.00 0.27 0.00 0.00 31.44 31.97 3f6s n GLU 66 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3f6s s MET 67 N 0.00 3.18 -0.05 5.31 -1.94 -1.26 -2.35 119.30 122.18 3f6s s MET 67 Ca 0.00 -0.93 -0.35 0.00 -1.71 0.00 0.00 55.69 52.70 3f6s s MET 67 Cb 0.00 -2.75 -0.13 0.00 2.01 0.00 0.00 34.83 33.96 3f6s s MET 67 CO 0.00 0.33 1.77 0.94 -0.01 0.00 0.00 175.02 178.05 3f6s n GLN 68 N -1.38 1.97 0.00 2.03 0.00 -1.08 -4.70 117.38 114.22 3f6s n GLN 68 Ca -0.07 0.72 0.00 0.00 -0.00 0.00 0.00 57.00 57.65 3f6s n GLN 68 Cb 0.58 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 28.30 3f6s n GLN 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3f6s n ASP 69 N 5.57 0.00 0.17 1.69 10.43 -1.26 -0.64 116.55 132.50 3f6s n ASP 69 Ca 0.22 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.61 3f6s n ASP 69 Cb 0.26 0.00 0.29 0.00 1.84 0.00 0.00 41.12 43.51 3f6s n ASP 69 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3f6s h ASP 70 N 0.00 0.00 0.89 -2.24 3.32 -1.92 -2.59 116.42 113.88 3f6s h ASP 70 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3f6s h ASP 70 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3f6s h ASP 70 CO 0.00 0.46 -0.65 0.15 -1.72 0.00 0.00 179.24 177.48 3f6s h PHE 71 N 0.00 0.00 -0.32 4.55 3.57 -1.19 -3.19 116.94 120.36 3f6s h PHE 71 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3f6s h PHE 71 Cb 0.92 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3f6s h PHE 71 CO 0.00 0.65 -0.14 1.25 -2.23 0.00 0.00 178.31 177.84 3f6s h LEU 72 N 0.00 0.68 -0.79 0.59 5.85 -0.87 0.54 115.31 121.31 3f6s h LEU 72 Ca -0.01 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.39 3f6s h LEU 72 Cb 1.27 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 3f6s h LEU 72 CO 0.08 0.93 0.46 0.28 -0.34 0.00 0.00 178.44 179.85 3f6s h SER 73 N 0.43 0.68 0.21 1.25 0.02 -1.62 -0.49 113.55 114.03 3f6s h SER 73 Ca 0.07 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3f6s h SER 73 Cb 0.66 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3f6s h SER 73 CO 0.04 0.41 -0.10 0.25 -1.14 0.00 0.00 176.83 176.30 3f6s h LEU 74 N 0.80 -0.24 -0.89 5.07 5.85 -1.47 -3.27 115.31 121.16 3f6s h LEU 74 Ca 0.36 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.99 3f6s h LEU 74 Cb 0.26 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3f6s h LEU 74 CO -0.21 0.10 0.52 0.15 -0.34 0.00 0.00 178.44 178.66 3f6s h PHE 75 N -0.60 0.93 0.00 1.25 3.57 0.35 -1.24 116.94 121.20 3f6s h PHE 75 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3f6s h PHE 75 Cb 0.44 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.90 3f6s h PHE 75 CO 0.02 0.32 0.00 0.93 -2.23 0.00 0.00 178.31 177.36 3f6s h GLU 76 N 0.80 0.00 -0.56 1.11 5.08 -1.15 -1.33 114.58 118.53 3f6s h GLU 76 Ca 0.45 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.43 3f6s h GLU 76 Cb 0.51 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.50 3f6s h GLU 76 CO -0.29 0.00 -0.39 0.39 -1.00 0.00 0.00 179.01 177.72 3f6s n GLU 77 N -2.57 2.74 -0.05 2.33 1.02 -0.48 -4.80 120.64 118.83 3f6s n GLU 77 Ca 0.00 -3.69 0.06 0.00 -0.02 0.00 0.00 57.16 53.50 3f6s n GLU 77 Cb 0.17 -2.06 0.42 0.00 -0.02 0.00 0.00 31.44 29.95 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 1.68 0.56 0.00 -0.32 -1.00 -1.13 -2.33 116.94 114.40 3f6s h PHE 78 Ca 0.30 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.10 3f6s h PHE 78 Cb 1.39 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.76 3f6s h PHE 78 CO 0.95 0.33 0.00 -0.40 -1.61 0.00 0.00 178.31 177.58 3f6s n ASP 79 N -4.47 0.03 -0.00 2.17 5.68 -1.26 -2.33 116.55 116.36 3f6s n ASP 79 Ca 0.06 -1.57 0.05 0.00 -0.50 0.00 0.00 54.79 52.82 3f6s n ASP 79 Cb 0.14 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.04 3f6s n ASP 79 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f6s n ARG 80 N -0.48 1.12 0.03 0.11 1.74 -0.88 -4.58 116.66 113.73 3f6s n ARG 80 Ca 0.00 -0.07 0.01 0.00 -0.77 0.00 0.00 57.85 57.02 3f6s n ARG 80 Cb 0.01 -1.16 0.32 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.92 0.55 2.04 -1.39 -0.19 117.51 117.79 3f6s h ILE 81 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3f6s h ILE 81 Cb 0.39 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3f6s h ILE 81 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.02 3f6s n GLY 82 N -0.88 0.77 0.03 5.37 0.00 -1.26 -1.51 105.19 107.71 3f6s n GLY 82 Ca 0.01 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 0.63 -4.68 0.99 4.77 -1.26 -4.73 117.00 111.75 3f6s n LEU 83 Ca 0.00 0.04 -0.51 0.00 -0.03 0.00 0.00 56.01 55.52 3f6s n LEU 83 Cb 0.36 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3f6s n LEU 83 CO 0.00 0.04 1.33 0.00 -1.33 0.00 0.00 177.39 177.44 3f6s n ALA 84 N -1.73 0.49 -0.31 -1.18 0.00 -1.07 -1.84 120.51 114.87 3f6s n ALA 84 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3f6s n ALA 84 Cb 0.41 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 3.98 1.20 4.00 0.00 0.00 -0.91 -4.87 105.19 108.59 3f6s n GLY 85 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.43 2.91 -0.05 1.61 0.52 -0.77 -4.89 118.95 117.85 3f6s s ARG 86 Ca 0.00 -1.08 -0.13 0.00 -0.52 0.00 0.00 55.73 54.00 3f6s s ARG 86 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3f6s s ARG 86 CO 0.00 -0.21 0.34 0.15 0.02 0.00 0.00 175.30 175.61 3f6s s LYS 87 N -4.35 3.88 0.09 3.54 1.02 -1.00 -0.97 119.74 121.95 3f6s s LYS 87 Ca 0.52 0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.81 3f6s s LYS 87 Cb -0.10 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3f6s s LYS 87 CO 0.33 0.63 -0.10 0.08 -0.92 0.00 0.00 175.35 175.38 3f6s s VAL 88 N -0.81 0.90 0.17 3.17 1.01 -0.45 -0.40 120.40 123.99 3f6s s VAL 88 Ca 0.21 -1.62 -0.20 0.00 0.00 0.00 0.00 61.98 60.38 3f6s s VAL 88 Cb -0.15 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.95 3f6s s VAL 88 CO 0.10 -0.56 0.54 0.00 0.00 0.00 0.00 175.10 175.18 3f6s s ALA 89 N -2.43 -1.23 0.03 5.51 0.00 -1.07 -1.23 121.76 121.34 3f6s s ALA 89 Ca 0.05 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.18 3f6s s ALA 89 Cb -0.03 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 3f6s s ALA 89 CO -0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 175.76 174.80 3f6s s ALA 90 N -3.81 1.66 0.02 0.00 0.00 -1.26 -1.87 121.76 116.49 3f6s s ALA 90 Ca 0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3f6s s ALA 90 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3f6s s ALA 90 CO -0.09 0.38 0.02 -0.59 0.00 0.00 0.00 175.76 175.48 3f6s s PHE 91 N -0.71 0.20 0.12 0.00 -0.71 -0.63 0.04 117.98 116.29 3f6s s PHE 91 Ca 0.07 -0.43 -0.09 0.00 -1.04 0.00 0.00 56.93 55.44 3f6s s PHE 91 Cb -0.08 -0.15 -0.00 0.00 -1.21 0.00 0.00 43.02 41.57 3f6s s PHE 91 CO 0.01 -0.22 0.24 0.00 -1.34 0.00 0.00 175.22 173.91 3f6s s ALA 92 N -1.48 -0.15 -0.05 1.99 0.00 0.29 -1.65 121.76 120.71 3f6s s ALA 92 Ca -0.15 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.15 3f6s s ALA 92 Cb -0.09 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 3f6s s ALA 92 CO -0.00 -0.57 -0.22 0.45 0.00 0.00 0.00 175.76 175.41 3f6s s SER 93 N -2.91 3.32 0.00 0.00 0.15 -1.26 -2.77 113.70 110.23 3f6s s SER 93 Ca 0.10 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3f6s s SER 93 Cb 0.04 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 3f6s s SER 93 CO -0.06 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.27 3f6s n GLY 94 N 2.73 3.30 2.66 9.45 0.00 -0.60 -2.12 105.19 120.60 3f6s n GLY 94 Ca -0.17 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 1.28 1.61 0.54 1.61 -1.08 -1.26 -4.02 116.67 115.34 3f6s s ASP 95 Ca 0.00 -0.18 0.19 0.00 -0.52 0.00 0.00 52.55 52.04 3f6s s ASP 95 Cb 0.00 -0.20 1.04 0.00 -1.46 0.00 0.00 42.92 42.30 3f6s s ASP 95 CO 0.00 -0.28 1.54 1.56 0.52 0.00 0.00 175.17 178.51 3f6s h GLN 96 N 8.42 0.00 -0.00 4.34 1.08 -1.97 -0.71 115.11 126.26 3f6s h GLN 96 Ca -0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3f6s h GLN 96 Cb 1.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 3f6s h GLN 96 CO 0.21 0.00 -0.00 0.39 -0.95 0.00 0.00 178.83 178.48 3f6s n GLU 97 N -2.51 1.21 -3.89 1.46 1.02 -1.26 -4.75 120.64 111.93 3f6s n GLU 97 Ca -0.01 -0.32 -0.28 0.00 -0.02 0.00 0.00 57.16 56.52 3f6s n GLU 97 Cb 0.46 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.01 3.50 0.30 -0.32 1.51 -0.27 -5.02 117.35 115.04 3f6s s TYR 98 Ca 0.45 0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 56.71 3f6s s TYR 98 Cb 0.22 -1.75 0.45 0.00 -0.11 0.00 0.00 41.96 40.77 3f6s s TYR 98 CO 0.36 0.52 1.94 1.49 -1.11 0.00 0.00 175.55 178.75 3f6s h GLU 99 N 2.51 1.02 -4.50 -0.62 4.81 -1.87 -3.36 114.58 112.56 3f6s h GLU 99 Ca -0.47 -0.09 -0.66 0.00 -0.13 0.00 0.00 59.36 58.01 3f6s h GLU 99 Cb 1.18 -0.21 -0.39 0.00 0.63 0.00 0.00 28.75 29.95 3f6s h GLU 99 CO 0.72 0.71 -0.68 -1.01 -0.73 0.00 0.00 179.01 178.02 3f6s s HIS 100 N -5.76 3.68 -0.43 0.92 3.76 -1.26 -5.08 115.29 111.12 3f6s s HIS 100 Ca -0.11 -2.95 -0.29 0.00 -0.15 0.00 0.00 55.06 51.56 3f6s s HIS 100 Cb 0.17 -2.96 0.02 0.00 1.11 0.00 0.00 32.58 30.92 3f6s s HIS 100 CO 0.79 -0.93 1.23 0.12 -0.85 0.00 0.00 174.74 175.11 3f6s s PHE 101 N 0.78 2.70 -1.40 1.40 5.36 -1.26 -4.04 117.98 121.52 3f6s s PHE 101 Ca 0.11 0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 56.81 3f6s s PHE 101 Cb -0.20 -4.30 0.01 0.00 -0.34 0.00 0.00 43.02 38.19 3f6s s PHE 101 CO -0.07 -1.50 0.55 0.00 -1.46 0.00 0.00 175.22 172.74 3f6s h GLY 103 N -1.84 0.00 2.00 0.00 0.00 -1.93 -2.18 103.07 99.11 3f6s h GLY 103 Ca -0.62 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3f6s h GLY 103 CO 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 177.04 3f6s h ALA 104 N 1.63 0.99 0.77 3.60 0.00 -1.88 -3.19 119.26 121.18 3f6s h ALA 104 Ca 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3f6s h ALA 104 Cb 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3f6s h ALA 104 CO 0.00 0.15 -0.37 0.28 0.00 0.00 0.00 179.25 179.30 3f6s h VAL 105 N 0.00 0.14 -0.77 0.00 2.07 -1.72 -0.35 116.25 115.62 3f6s h VAL 105 Ca -0.00 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3f6s h VAL 105 Cb 0.72 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3f6s h VAL 105 CO 0.02 0.01 0.50 1.55 0.02 0.00 0.00 177.57 179.67 3f6s h PRO 106 N -1.17 0.76 -0.43 1.57 0.13 -1.77 -1.88 132.00 129.21 3f6s h PRO 106 Ca -0.11 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.92 3f6s h PRO 106 Cb 0.81 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 3f6s h PRO 106 CO 0.17 0.51 0.05 0.00 -0.23 0.00 0.00 178.00 178.50 3f6s h ALA 107 N 1.59 0.58 -0.28 -0.56 0.00 -1.51 0.19 119.26 119.27 3f6s h ALA 107 Ca 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3f6s h ALA 107 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3f6s h ALA 107 CO -0.12 0.31 0.03 0.82 0.00 0.00 0.00 179.25 180.30 3f6s h ILE 108 N 0.58 1.24 -0.56 0.00 2.04 -0.75 -0.24 117.51 119.82 3f6s h ILE 108 Ca 0.13 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3f6s h ILE 108 Cb 0.41 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3f6s h ILE 108 CO 0.01 0.27 0.36 -0.33 0.00 0.00 0.00 178.15 178.46 3f6s h GLU 109 N 0.29 0.75 -0.35 2.37 5.08 -1.28 0.30 114.58 121.73 3f6s h GLU 109 Ca 0.08 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3f6s h GLU 109 Cb 0.36 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3f6s h GLU 109 CO 0.01 0.51 0.21 0.93 -1.00 0.00 0.00 179.01 179.66 3f6s h GLU 110 N 0.76 0.48 -0.10 2.33 5.08 -0.77 -2.07 114.58 120.29 3f6s h GLU 110 Ca 0.20 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 3f6s h GLU 110 Cb -0.06 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.10 3f6s h GLU 110 CO -0.04 0.38 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.74 3f6s h ARG 111 N 0.45 0.53 -0.83 2.33 9.65 -0.80 -2.21 114.38 123.51 3f6s h ARG 111 Ca 0.13 -0.44 0.06 0.00 -1.10 0.00 0.00 59.98 58.62 3f6s h ARG 111 Cb 0.03 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 3f6s h ARG 111 CO -0.02 1.07 0.51 0.00 2.80 0.00 0.00 179.97 184.33 3f6s h ALA 112 N 0.47 1.13 -0.40 2.80 0.00 -0.95 -2.27 119.26 120.04 3f6s h ALA 112 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3f6s h ALA 112 Cb 1.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3f6s h ALA 112 CO 0.11 0.26 0.09 -0.22 0.00 0.00 0.00 179.25 179.49 3f6s h LYS 113 N 0.95 0.64 -0.76 0.00 3.64 -1.33 -1.57 116.57 118.14 3f6s h LYS 113 Ca 0.36 -0.16 0.14 0.00 -1.27 0.00 0.00 60.65 59.72 3f6s h LYS 113 Cb 0.14 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3f6s h LYS 113 CO -0.16 0.66 0.50 0.93 -2.27 0.00 0.00 179.45 179.11 3f6s h GLU 114 N 0.50 0.46 -0.43 1.90 5.08 -1.00 -1.87 114.58 119.22 3f6s h GLU 114 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3f6s h GLU 114 Cb 0.32 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3f6s h GLU 114 CO 0.00 0.30 0.00 1.28 -1.00 0.00 0.00 179.01 179.59 3f6s n LEU 115 N -4.49 2.30 0.00 1.33 4.77 -0.89 -4.90 117.00 115.12 3f6s n LEU 115 Ca 0.14 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3f6s n LEU 115 Cb 0.49 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3f6s n LEU 115 CO 0.32 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 3f6s n GLY 116 N 1.17 0.40 3.66 -0.72 0.00 -0.70 -2.59 105.19 106.42 3f6s n GLY 116 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.05 0.84 -0.18 4.61 0.00 -0.63 -2.13 121.76 122.21 3f6s s ALA 117 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 3f6s s ALA 117 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.06 3f6s s ALA 117 CO 0.00 -2.97 -0.16 0.99 0.00 0.00 0.00 175.76 173.63 3f6s s THR 118 N -2.97 1.85 -0.43 0.00 2.01 -0.14 -4.52 115.64 111.44 3f6s s THR 118 Ca 0.66 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3f6s s THR 118 Cb -0.18 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.59 3f6s s THR 118 CO 0.58 0.39 1.26 -0.63 -0.69 0.00 0.00 174.62 175.53 3f6s s ILE 119 N 1.35 4.09 -2.90 1.82 -1.09 -1.26 -1.33 121.20 121.87 3f6s s ILE 119 Ca 0.02 1.12 0.24 0.00 -2.23 0.00 0.00 60.65 59.81 3f6s s ILE 119 Cb -0.14 -4.40 0.24 0.00 -1.58 0.00 0.00 42.46 36.58 3f6s s ILE 119 CO -0.11 -0.85 1.31 2.30 -1.23 0.00 0.00 174.94 176.36 3f6s n ILE 120 N 6.86 0.07 -3.66 2.92 -5.35 -0.36 -4.92 119.36 114.92 3f6s n ILE 120 Ca 0.14 -0.52 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 3f6s n ILE 120 Cb 0.48 1.37 -0.06 0.00 -1.74 0.00 0.00 39.64 39.69 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 -1.93 -1.01 0.12 -1.28 0.00 -1.26 -4.54 121.76 111.86 3f6s s ALA 121 Ca 0.30 0.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 3f6s s ALA 121 Cb 0.20 0.36 -0.07 0.00 0.00 0.00 0.00 23.12 23.62 3f6s s ALA 121 CO 0.30 -0.47 1.26 -2.00 0.00 0.00 0.00 175.76 174.86 3f6s s GLU 122 N -2.53 4.41 0.52 0.00 2.12 -1.26 -4.72 118.70 117.24 3f6s s GLU 122 Ca -0.05 1.90 -0.23 0.00 0.36 0.00 0.00 54.97 56.96 3f6s s GLU 122 Cb -0.01 -3.28 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 3f6s s GLU 122 CO -0.03 -0.26 1.39 0.20 -0.54 0.00 0.00 175.26 176.03 3f6s s GLY 123 N 0.75 2.90 -0.18 -1.50 0.00 -1.26 -4.87 107.32 103.15 3f6s s GLY 123 Ca 0.58 1.40 -0.21 0.00 0.00 0.00 0.00 44.72 46.49 3f6s s GLY 123 CO 0.32 1.95 0.64 -2.27 0.00 0.00 0.00 173.10 173.75 3f6s s LEU 124 N -3.29 4.17 -0.19 0.66 2.96 0.11 -4.97 118.68 118.13 3f6s s LEU 124 Ca 0.68 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.48 3f6s s LEU 124 Cb -0.42 -2.92 0.04 0.00 0.50 0.00 0.00 46.19 43.39 3f6s s LEU 124 CO 0.51 -0.26 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.67 3f6s s LYS 125 N 1.77 1.73 0.11 1.98 1.02 -1.26 -0.55 119.74 124.54 3f6s s LYS 125 Ca 0.30 -0.70 -0.13 0.00 0.02 0.00 0.00 55.97 55.46 3f6s s LYS 125 Cb -0.16 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3f6s s LYS 125 CO 0.11 -0.44 0.31 0.00 -0.92 0.00 0.00 175.35 174.41 3f6s s MET 126 N 1.51 0.98 0.33 1.68 0.23 -1.12 -5.02 119.30 117.88 3f6s s MET 126 Ca -0.01 -0.82 -0.02 0.00 -1.03 0.00 0.00 55.69 53.82 3f6s s MET 126 Cb -0.16 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 3f6s s MET 126 CO -0.08 -0.36 0.55 -1.21 -2.03 0.00 0.00 175.02 171.90 3f6s s GLU 127 N -3.83 3.53 2.60 3.16 2.02 -1.26 -1.56 118.70 123.36 3f6s s GLU 127 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.83 3f6s s GLU 127 Cb 0.03 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.61 3f6s s GLU 127 CO -0.11 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.74 3f6s n GLY 128 N -1.48 -0.36 4.01 -1.39 0.00 -1.26 -4.68 105.19 100.04 3f6s n GLY 128 Ca -0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 3f6s n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3f6s s ASP 129 N -4.00 5.09 0.44 1.61 3.84 -1.26 -4.69 116.67 117.70 3f6s s ASP 129 Ca 0.00 -0.86 0.27 0.00 -0.00 0.00 0.00 52.55 51.96 3f6s s ASP 129 Cb 0.00 0.21 1.31 0.00 -1.38 0.00 0.00 42.92 43.06 3f6s s ASP 129 CO 0.00 -1.24 1.72 0.00 -0.00 0.00 0.00 175.17 175.65 3f6s h ALA 130 N 0.31 2.62 0.00 2.11 0.00 -1.78 0.36 119.26 122.88 3f6s h ALA 130 Ca -0.32 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3f6s h ALA 130 Cb 1.29 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3f6s h ALA 130 CO 0.44 -1.09 -0.37 0.66 0.00 0.00 0.00 179.25 178.88 3f6s h SER 131 N 0.21 0.00 0.36 0.00 4.64 -1.94 -3.02 113.55 113.81 3f6s h SER 131 Ca 0.67 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.97 3f6s h SER 131 Cb 2.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3f6s h SER 131 CO -0.27 0.33 -0.13 -1.13 -0.87 0.00 0.00 176.83 174.77 3f6s h ASN 132 N 0.00 0.00 -0.44 4.97 -1.24 -0.58 -3.37 115.58 114.91 3f6s h ASN 132 Ca -0.01 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 3f6s h ASN 132 Cb 1.26 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 40.12 3f6s h ASN 132 CO 0.04 0.13 -0.63 -0.67 -1.29 0.00 0.00 177.43 175.01 3f6s n ASP 133 N -3.68 -2.23 -0.06 1.15 -0.08 -1.16 -4.99 116.55 105.49 3f6s n ASP 133 Ca -0.02 -3.17 0.07 0.00 -1.51 0.00 0.00 54.79 50.16 3f6s n ASP 133 Cb 0.24 1.29 0.44 0.00 2.34 0.00 0.00 41.12 45.43 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 4.00 0.52 -0.17 -0.67 0.13 -1.71 -2.76 132.00 131.35 3f6s h PRO 134 Ca -0.10 -0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.81 3f6s h PRO 134 Cb 1.00 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.02 3f6s h PRO 134 CO 0.36 0.34 -0.63 0.93 -0.23 0.00 0.00 178.00 178.77 3f6s h GLU 135 N 0.54 0.72 0.36 0.86 5.08 -1.94 -1.00 114.58 119.19 3f6s h GLU 135 Ca 0.23 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3f6s h GLU 135 Cb 0.22 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3f6s h GLU 135 CO -0.06 1.17 -0.35 0.00 -1.00 0.00 0.00 179.01 178.77 3f6s h ALA 136 N 0.55 -0.75 -0.18 3.43 0.00 -1.93 0.04 119.26 120.43 3f6s h ALA 136 Ca -0.03 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3f6s h ALA 136 Cb 1.26 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 19.48 3f6s h ALA 136 CO 0.13 -0.96 -0.28 0.28 0.00 0.00 0.00 179.25 178.42 3f6s h VAL 137 N -0.72 0.34 -0.69 0.00 2.07 -1.53 -1.71 116.25 114.00 3f6s h VAL 137 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3f6s h VAL 137 Cb 0.65 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3f6s h VAL 137 CO -0.06 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.94 3f6s h ALA 138 N 0.59 0.92 -0.12 1.67 0.00 -1.06 0.17 119.26 121.43 3f6s h ALA 138 Ca 0.11 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3f6s h ALA 138 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3f6s h ALA 138 CO -0.37 0.13 -0.10 1.03 0.00 0.00 0.00 179.25 179.95 3f6s h SER 139 N 0.78 -0.31 -0.11 0.00 0.87 -0.64 -1.22 113.55 112.91 3f6s h SER 139 Ca 0.30 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.97 3f6s h SER 139 Cb 0.11 0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 3f6s h SER 139 CO -0.15 -0.13 -0.25 0.15 -0.53 0.00 0.00 176.83 175.91 3f6s h PHE 140 N -0.11 -0.68 -0.88 2.24 3.57 -0.11 -0.55 116.94 120.42 3f6s h PHE 140 Ca 0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3f6s h PHE 140 Cb 0.23 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 3f6s h PHE 140 CO -0.22 -0.34 0.58 0.00 -2.23 0.00 0.00 178.31 176.10 3f6s h ALA 141 N 0.58 1.15 -0.34 2.41 0.00 -1.07 -0.47 119.26 121.52 3f6s h ALA 141 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3f6s h ALA 141 Cb 0.47 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3f6s h ALA 141 CO -0.30 0.46 0.06 1.49 0.00 0.00 0.00 179.25 180.96 3f6s h GLU 142 N 1.14 0.17 -0.60 0.00 4.81 -0.17 0.39 114.58 120.32 3f6s h GLU 142 Ca 0.34 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.60 3f6s h GLU 142 Cb -0.05 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3f6s h GLU 142 CO -0.10 0.11 0.35 -0.44 -0.73 0.00 0.00 179.01 178.20 3f6s h ASP 143 N 0.18 0.53 -0.19 1.04 3.32 -0.39 0.01 116.42 120.93 3f6s h ASP 143 Ca 0.16 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3f6s h ASP 143 Cb 0.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3f6s h ASP 143 CO -0.22 0.36 0.09 0.58 -1.72 0.00 0.00 179.24 178.33 3f6s h VAL 144 N 0.66 1.14 0.00 -1.35 2.07 -0.63 -3.07 116.25 115.07 3f6s h VAL 144 Ca 0.26 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3f6s h VAL 144 Cb 0.10 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3f6s h VAL 144 CO -0.14 0.13 -0.09 -0.07 0.02 0.00 0.00 177.57 177.42 3f6s h LEU 145 N 0.16 0.00 -1.08 2.57 3.38 0.50 0.16 115.31 121.00 3f6s h LEU 145 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3f6s h LEU 145 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3f6s h LEU 145 CO -0.01 0.09 -0.33 0.11 0.09 0.00 0.00 178.44 178.39 3f6s h LYS 146 N 0.00 0.00 -0.00 1.13 1.79 -0.92 -3.15 116.57 115.41 3f6s h LYS 146 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3f6s h LYS 146 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3f6s h LYS 146 CO 0.01 0.33 -0.78 1.04 -1.08 0.00 0.00 179.45 178.97 3f6s n GLN 147 N -3.58 0.23 0.00 3.15 1.13 -0.01 -5.12 117.38 113.19 3f6s n GLN 147 Ca -0.01 -0.18 0.14 0.00 -1.94 0.00 0.00 57.00 55.02 3f6s n GLN 147 Cb 0.46 -1.50 0.55 0.00 0.11 0.00 0.00 30.24 29.86 3f6s n GLN 147 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90