#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6a s ASN 2 N 0.00 1.70 -0.08 1.96 -0.87 -1.26 -5.04 114.94 111.35 3f6a s ASN 2 Ca 0.00 -1.08 -0.02 0.00 -1.57 0.00 0.00 52.86 50.19 3f6a s ASN 2 Cb 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 41.25 41.18 3f6a s ASN 2 CO 0.00 -0.41 1.41 -2.11 -2.57 0.00 0.00 177.10 173.42 3f6a n ARG 3 N -0.25 0.65 -0.95 -0.60 -4.01 -1.26 -4.20 116.66 106.04 3f6a n ARG 3 Ca -0.09 -0.41 -0.07 0.00 -1.04 0.00 0.00 57.85 56.25 3f6a n ARG 3 Cb 0.62 -1.74 0.18 0.00 -3.04 0.00 0.00 32.46 28.47 3f6a n ARG 3 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 3f6a n HIS 4 N 3.17 1.26 -4.77 2.89 8.25 -1.26 -4.98 115.22 119.77 3f6a n HIS 4 Ca 0.14 -1.74 -0.27 0.00 -0.26 0.00 0.00 57.72 55.59 3f6a n HIS 4 Cb 0.22 -0.51 -0.17 0.00 1.12 0.00 0.00 29.99 30.66 3f6a n HIS 4 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3f6a s PHE 5 N -3.32 1.84 0.28 4.41 0.08 -1.26 -0.45 117.98 119.56 3f6a s PHE 5 Ca 0.46 -0.73 0.02 0.00 0.12 0.00 0.00 56.93 56.80 3f6a s PHE 5 Cb 0.41 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 41.52 3f6a s PHE 5 CO -0.01 -0.34 0.11 0.95 -0.10 0.00 0.00 175.22 175.84 3f6a s THR 6 N 0.59 0.54 0.15 0.64 -4.23 0.42 -3.00 115.64 110.74 3f6a s THR 6 Ca -0.15 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.41 3f6a s THR 6 Cb -0.16 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3f6a s THR 6 CO 0.05 0.00 -0.11 0.68 -0.54 0.00 0.00 174.62 174.70 3f6a s VAL 7 N -3.67 1.24 0.01 2.29 -7.23 -0.50 -1.02 120.40 111.52 3f6a s VAL 7 Ca 0.37 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 3f6a s VAL 7 Cb 0.07 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 3f6a s VAL 7 CO 0.15 -0.66 -0.04 -0.44 -0.31 0.00 0.00 175.10 173.79 3f6a s SER 8 N -3.01 0.46 -0.05 4.85 0.01 -0.31 -1.88 113.70 113.78 3f6a s SER 8 Ca 0.15 -0.28 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 3f6a s SER 8 Cb 0.00 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.27 3f6a s SER 8 CO 0.02 -0.10 0.01 -0.69 0.41 0.00 0.00 173.24 172.88 3f6a s VAL 9 N -0.71 0.24 -0.37 3.43 1.01 -0.03 -0.78 120.40 123.19 3f6a s VAL 9 Ca -0.05 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 3f6a s VAL 9 Cb -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3f6a s VAL 9 CO -0.00 0.20 0.26 -0.36 0.00 0.00 0.00 175.10 175.20 3f6a s PHE 10 N 1.58 3.23 -0.21 5.22 0.08 -0.35 -2.94 117.98 124.58 3f6a s PHE 10 Ca -0.02 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.45 3f6a s PHE 10 Cb -0.13 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.76 3f6a s PHE 10 CO -0.03 -0.50 0.12 0.42 -0.10 0.00 0.00 175.22 175.13 3f6a s ILE 11 N 1.68 5.19 -0.14 0.64 1.01 -1.26 -0.85 121.20 127.47 3f6a s ILE 11 Ca 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 3f6a s ILE 11 Cb -0.18 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3f6a s ILE 11 CO 0.10 0.40 -0.07 -0.69 0.00 0.00 0.00 174.94 174.68 3f6a s VAL 12 N 0.70 3.61 -0.18 2.92 1.01 0.48 -0.94 120.40 128.01 3f6a s VAL 12 Ca 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3f6a s VAL 12 Cb -0.12 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3f6a s VAL 12 CO 0.01 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 175.47 3f6a n LYS 14 N 4.66 0.00 -0.41 0.00 2.85 -1.26 -1.05 118.16 122.94 3f6a n LYS 14 Ca -0.18 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.14 3f6a n LYS 14 Cb 0.49 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.07 3f6a n LYS 14 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3f6a n ASP 15 N 5.20 2.77 -4.14 -5.58 8.00 -1.26 -4.73 116.55 116.80 3f6a n ASP 15 Ca 0.00 -3.33 -0.10 0.00 0.71 0.00 0.00 54.79 52.07 3f6a n ASP 15 Cb 0.00 -0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 40.48 3f6a n ASP 15 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3f6a s LYS 16 N -2.99 0.76 0.06 -1.24 1.02 -0.22 -4.36 119.74 112.77 3f6a s LYS 16 Ca 0.39 -1.24 0.09 0.00 0.02 0.00 0.00 55.97 55.22 3f6a s LYS 16 Cb 0.34 -0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.46 3f6a s LYS 16 CO 0.03 -0.02 -0.25 0.54 -0.92 0.00 0.00 175.35 174.72 3f6a s VAL 17 N -3.37 2.06 -0.07 3.17 0.11 -0.28 -0.72 120.40 121.29 3f6a s VAL 17 Ca 0.08 -1.40 -0.13 0.00 -2.93 0.00 0.00 61.98 57.61 3f6a s VAL 17 Cb 0.04 -1.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.06 3f6a s VAL 17 CO -0.05 0.30 0.31 -0.22 -3.33 0.00 0.00 175.10 172.11 3f6a s LEU 18 N -1.34 4.39 0.06 2.54 2.96 -0.12 -0.45 118.68 126.73 3f6a s LEU 18 Ca 0.11 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 3f6a s LEU 18 Cb -0.10 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3f6a s LEU 18 CO 0.02 0.28 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.54 3f6a s LEU 19 N -0.62 2.48 0.03 -0.68 1.43 -0.78 -4.41 118.68 116.13 3f6a s LEU 19 Ca 0.20 -0.97 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 3f6a s LEU 19 Cb -0.14 0.15 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 3f6a s LEU 19 CO 0.08 -0.56 -0.05 -1.38 0.23 0.00 0.00 176.35 174.68 3f6a s HIS 20 N -3.73 0.45 -0.33 0.29 -3.43 0.11 -1.36 115.29 107.28 3f6a s HIS 20 Ca 0.06 -0.56 -0.29 0.00 -0.80 0.00 0.00 55.06 53.47 3f6a s HIS 20 Cb 0.07 -0.29 0.00 0.00 -1.43 0.00 0.00 32.58 30.93 3f6a s HIS 20 CO -0.09 -0.16 1.38 -1.17 -2.00 0.00 0.00 174.74 172.71 3f6a s LEU 21 N -1.64 3.77 0.40 5.38 0.20 -0.48 -0.98 118.68 125.33 3f6a s LEU 21 Ca -0.12 1.12 0.16 0.00 0.69 0.00 0.00 54.13 55.98 3f6a s LEU 21 Cb -0.08 -3.54 1.03 0.00 -0.43 0.00 0.00 46.19 43.17 3f6a s LEU 21 CO -0.01 -1.24 1.82 -0.74 -0.29 0.00 0.00 176.35 175.90 3f6a h HIS 22 N 10.01 0.65 -1.36 5.38 -0.00 -1.56 -3.44 115.15 124.82 3f6a h HIS 22 Ca -0.28 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 3f6a h HIS 22 Cb 1.11 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 3f6a h HIS 22 CO 0.92 0.15 -0.34 0.36 -0.00 0.00 0.00 177.93 179.01 3f6a n LYS 23 N -4.57 -1.64 -1.01 5.26 2.85 -1.26 -4.72 118.16 113.06 3f6a n LYS 23 Ca 0.21 1.23 -0.00 0.00 -1.05 0.00 0.00 58.31 58.70 3f6a n LYS 23 Cb 0.72 -1.42 -0.00 0.00 -0.65 0.00 0.00 35.03 33.67 3f6a n LYS 23 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3f6a n LYS 24 N -1.21 -1.27 -2.69 -1.58 5.02 -1.26 -4.73 118.16 110.44 3f6a n LYS 24 Ca 0.00 0.34 -0.04 0.00 -2.02 0.00 0.00 58.31 56.59 3f6a n LYS 24 Cb 0.05 -4.31 0.05 0.00 -0.02 0.00 0.00 35.03 30.79 3f6a n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f6a n ALA 25 N 1.01 -3.22 -1.42 7.82 0.00 -1.26 -5.09 120.51 118.35 3f6a n ALA 25 Ca -0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 3f6a n ALA 25 Cb 0.33 -2.83 -0.10 0.00 0.00 0.00 0.00 19.45 16.84 3f6a n ALA 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3f6a n LYS 26 N 2.18 0.17 0.00 0.00 4.81 -1.26 -4.24 118.16 119.82 3f6a n LYS 26 Ca 0.09 -0.69 0.00 0.00 -0.87 0.00 0.00 58.31 56.84 3f6a n LYS 26 Cb 0.65 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.20 3f6a n LYS 26 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3f6a n LYS 27 N 6.83 0.00 0.00 1.64 2.85 -1.26 -4.99 118.16 123.23 3f6a n LYS 27 Ca 0.39 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.65 3f6a n LYS 27 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 3f6a n LYS 27 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3f6a n LEU 29 N 0.00 0.00 -4.79 -5.58 4.77 -0.16 -1.94 117.00 109.30 3f6a n LEU 29 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3f6a n LEU 29 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 3f6a n LEU 29 CO 0.00 0.00 0.71 -2.16 -1.33 0.00 0.00 177.39 174.61 3f6a s PRO 30 N -2.00 1.55 0.79 3.23 0.04 -1.26 0.04 135.00 137.39 3f6a s PRO 30 Ca 0.00 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.40 3f6a s PRO 30 Cb 0.00 -1.87 0.07 0.00 0.04 0.00 0.00 34.50 32.74 3f6a s PRO 30 CO 0.00 -1.95 1.10 -0.51 0.04 0.00 0.00 177.00 175.68 3f6a s LEU 31 N -5.93 2.97 0.00 -3.56 1.43 -1.15 -4.76 118.68 107.68 3f6a s LEU 31 Ca 0.62 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 3f6a s LEU 31 Cb -0.15 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.57 3f6a s LEU 31 CO 0.54 -2.19 0.00 0.61 0.23 0.00 0.00 176.35 175.54 3f6a n GLY 32 N -1.04 -1.87 0.00 -3.19 0.00 -1.26 -0.85 105.19 96.98 3f6a n GLY 32 Ca 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3f6a n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6a n GLY 33 N -0.39 -1.62 3.73 -0.02 0.00 -0.79 -4.98 105.19 101.13 3f6a n GLY 33 Ca 0.00 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 3f6a n GLY 33 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f6a s HIS 34 N -2.60 2.20 -0.17 1.61 -3.43 -1.26 -1.41 115.29 110.23 3f6a s HIS 34 Ca 0.00 1.63 -0.10 0.00 -0.80 0.00 0.00 55.06 55.79 3f6a s HIS 34 Cb 0.00 -3.27 -0.05 0.00 -1.43 0.00 0.00 32.58 27.84 3f6a s HIS 34 CO 0.00 -2.25 0.15 0.42 -2.00 0.00 0.00 174.74 171.06 3f6a s ILE 35 N -2.46 5.42 0.49 -5.38 1.01 -1.16 -4.81 121.20 114.30 3f6a s ILE 35 Ca 0.67 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 61.35 3f6a s ILE 35 Cb -0.23 -3.47 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 3f6a s ILE 35 CO 0.50 0.49 1.09 -0.70 0.00 0.00 0.00 174.94 176.32 3f6a s GLU 36 N -0.03 3.71 0.43 2.79 -6.30 -1.26 -4.94 118.70 113.09 3f6a s GLU 36 Ca 0.11 1.53 -0.26 0.00 -2.50 0.00 0.00 54.97 53.85 3f6a s GLU 36 Cb -0.12 -2.18 -0.09 0.00 0.00 0.00 0.00 34.13 31.75 3f6a s GLU 36 CO 0.00 -0.54 1.37 0.54 0.02 0.00 0.00 175.26 176.65 3f6a s VAL 37 N -1.80 2.35 -1.32 3.70 0.11 -1.26 -1.03 120.40 121.15 3f6a s VAL 37 Ca 0.67 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 3f6a s VAL 37 Cb -0.21 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 3f6a s VAL 37 CO 0.25 0.04 0.00 -3.20 -3.33 0.00 0.00 175.10 168.87 3f6a n ASN 38 N -0.02 -4.44 -4.19 3.54 5.15 -1.26 -5.00 115.26 109.03 3f6a n ASN 38 Ca 0.04 0.23 -0.28 0.00 -0.60 0.00 0.00 54.58 53.98 3f6a n ASN 38 Cb 0.43 -3.24 -0.16 0.00 -0.53 0.00 0.00 39.78 36.27 3f6a n ASN 38 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3f6a s GLU 39 N -3.54 1.96 0.35 1.20 2.12 -0.20 -5.13 118.70 115.46 3f6a s GLU 39 Ca 0.00 -0.72 -0.26 0.00 0.36 0.00 0.00 54.97 54.34 3f6a s GLU 39 Cb 0.00 -1.73 -0.09 0.00 0.26 0.00 0.00 34.13 32.56 3f6a s GLU 39 CO 0.00 0.34 1.05 -0.51 -0.54 0.00 0.00 175.26 175.59 3f6a s LEU 40 N -0.16 4.31 0.41 2.70 1.43 -1.26 -4.66 118.68 121.45 3f6a s LEU 40 Ca -0.00 2.08 0.17 0.00 -1.03 0.00 0.00 54.13 55.35 3f6a s LEU 40 Cb -0.11 -3.97 1.08 0.00 0.03 0.00 0.00 46.19 43.21 3f6a s LEU 40 CO 0.02 -0.31 1.85 -0.65 0.23 0.00 0.00 176.35 177.48 3f6a h PRO 41 N 3.04 0.40 -0.20 1.29 0.11 -1.96 0.08 132.00 134.76 3f6a h PRO 41 Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 3f6a h PRO 41 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3f6a h PRO 41 CO 0.64 0.27 -0.48 1.05 -0.21 0.00 0.00 178.00 179.26 3f6a h GLU 42 N 0.41 0.54 -0.10 1.05 4.11 -1.91 -2.40 114.58 116.28 3f6a h GLU 42 Ca 0.48 -0.31 -0.11 0.00 0.07 0.00 0.00 59.36 59.49 3f6a h GLU 42 Cb 1.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3f6a h GLU 42 CO -0.19 0.90 -0.43 0.93 0.07 0.00 0.00 179.01 180.29 3f6a h GLU 43 N 0.43 0.24 -0.47 1.06 5.08 -1.40 -2.24 114.58 117.28 3f6a h GLU 43 Ca 0.02 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3f6a h GLU 43 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3f6a h GLU 43 CO 0.09 0.63 0.02 0.00 -1.00 0.00 0.00 179.01 178.76 3f6a h ALA 44 N 1.35 1.16 -0.20 3.43 0.00 -1.00 -0.53 119.26 123.48 3f6a h ALA 44 Ca 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3f6a h ALA 44 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3f6a h ALA 44 CO 0.07 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3f6a h ILE 46 N 0.11 0.94 -0.43 0.00 2.04 -1.08 -0.84 117.51 118.25 3f6a h ILE 46 Ca 0.06 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3f6a h ILE 46 Cb 0.38 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3f6a h ILE 46 CO 0.01 0.03 -0.13 0.08 0.00 0.00 0.00 178.15 178.14 3f6a h ARG 47 N 0.17 0.85 -0.50 2.37 0.11 -1.05 -2.59 114.38 113.74 3f6a h ARG 47 Ca 0.10 -0.34 -0.03 0.00 0.10 0.00 0.00 59.98 59.81 3f6a h ARG 47 Cb 0.07 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.08 3f6a h ARG 47 CO -0.10 0.98 0.20 0.93 0.10 0.00 0.00 179.97 182.07 3f6a h GLU 48 N 0.68 0.72 -0.58 0.08 4.39 -0.99 0.32 114.58 119.20 3f6a h GLU 48 Ca 0.11 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 3f6a h GLU 48 Cb 0.68 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3f6a h GLU 48 CO 0.05 0.59 0.10 0.00 -1.16 0.00 0.00 179.01 178.60 3f6a h ALA 49 N 1.51 1.09 -0.08 3.43 0.00 -0.99 0.18 119.26 124.39 3f6a h ALA 49 Ca 0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3f6a h ALA 49 Cb 0.15 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3f6a h ALA 49 CO -0.02 0.59 -0.57 -0.22 0.00 0.00 0.00 179.25 179.03 3f6a h LYS 50 N 0.87 0.54 -0.26 0.00 1.63 -0.88 -2.24 116.57 116.23 3f6a h LYS 50 Ca 0.18 -0.47 -0.20 0.00 -0.85 0.00 0.00 60.65 59.32 3f6a h LYS 50 Cb 0.37 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3f6a h LYS 50 CO 0.01 1.09 -0.60 0.93 -3.45 0.00 0.00 179.45 177.43 3f6a h GLU 51 N 0.13 0.86 0.00 1.90 5.08 -0.23 0.15 114.58 122.48 3f6a h GLU 51 Ca -0.05 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 3f6a h GLU 51 Cb 1.23 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3f6a h GLU 51 CO 0.12 1.21 -0.70 0.93 -1.00 0.00 0.00 179.01 179.56 3f6a h GLU 52 N 0.65 0.00 0.00 2.33 5.08 -0.76 0.12 114.58 121.99 3f6a h GLU 52 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3f6a h GLU 52 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3f6a h GLU 52 CO 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 3f6a n ALA 53 N -1.99 0.22 -3.09 3.43 0.00 -0.88 -4.19 120.51 114.02 3f6a n ALA 53 Ca 0.02 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 3f6a n ALA 53 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 3f6a n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f6a n GLY 54 N 0.00 -0.52 3.61 0.00 0.00 0.52 -0.91 105.19 107.88 3f6a n GLY 54 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3f6a n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f6a s LEU 55 N -6.72 3.18 -0.19 0.99 1.43 -0.97 -4.65 118.68 111.75 3f6a s LEU 55 Ca 0.33 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.11 3f6a s LEU 55 Cb -0.15 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 3f6a s LEU 55 CO 0.41 0.23 0.14 0.20 0.23 0.00 0.00 176.35 177.56 3f6a s ASN 56 N -1.83 6.24 0.35 2.29 0.02 -1.26 -3.25 114.94 117.49 3f6a s ASN 56 Ca 0.20 0.26 0.05 0.00 -1.02 0.00 0.00 52.86 52.35 3f6a s ASN 56 Cb -0.11 -2.09 -0.07 0.00 0.02 0.00 0.00 41.25 39.00 3f6a s ASN 56 CO 0.12 0.19 0.05 0.68 0.02 0.00 0.00 177.10 178.16 3f6a s VAL 57 N 0.25 1.40 -0.27 1.60 -7.23 -1.26 -4.54 120.40 110.35 3f6a s VAL 57 Ca 0.09 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3f6a s VAL 57 Cb -0.11 -2.85 0.08 0.00 0.56 0.00 0.00 36.38 34.06 3f6a s VAL 57 CO -0.01 0.00 0.04 -0.89 -0.31 0.00 0.00 175.10 173.92 3f6a s THR 58 N -3.14 1.17 0.30 5.32 2.01 -0.06 -4.95 115.64 116.28 3f6a s THR 58 Ca 0.36 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 3f6a s THR 58 Cb 0.09 -1.71 -0.10 0.00 0.01 0.00 0.00 72.50 70.79 3f6a s THR 58 CO 0.16 -0.42 1.28 -0.76 -0.69 0.00 0.00 174.62 174.19 3f6a s LEU 59 N 1.51 4.45 -0.01 4.42 1.43 -1.26 -1.31 118.68 127.90 3f6a s LEU 59 Ca 0.03 2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 3f6a s LEU 59 Cb -0.18 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 3f6a s LEU 59 CO -0.14 -0.47 1.53 -0.47 0.23 0.00 0.00 176.35 177.02 3f6a s TYR 60 N -0.91 2.48 -0.41 0.29 5.04 0.12 -4.95 117.35 119.01 3f6a s TYR 60 Ca 0.50 0.52 0.03 0.00 -2.44 0.00 0.00 57.07 55.68 3f6a s TYR 60 Cb -0.38 -3.80 0.16 0.00 0.35 0.00 0.00 41.96 38.29 3f6a s TYR 60 CO 0.48 -3.16 0.38 1.21 -1.34 0.00 0.00 175.55 173.12 3f6a s ASN 61 N 2.47 1.24 -0.30 4.32 2.47 -1.26 -4.83 114.94 119.04 3f6a s ASN 61 Ca 0.68 -2.38 -0.29 0.00 0.42 0.00 0.00 52.86 51.30 3f6a s ASN 61 Cb -0.33 0.13 -0.02 0.00 -1.45 0.00 0.00 41.25 39.58 3f6a s ASN 61 CO 0.28 -0.20 1.65 -2.16 -3.72 0.00 0.00 177.10 172.95 3f6a s PRO 62 N 0.68 3.58 0.15 0.43 0.04 -1.26 -4.95 135.00 133.66 3f6a s PRO 62 Ca 0.26 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 3f6a s PRO 62 Cb -0.06 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.31 3f6a s PRO 62 CO -0.10 -1.56 1.00 0.42 0.04 0.00 0.00 177.00 176.80 3f6a s ILE 63 N 5.90 4.23 -1.05 0.56 -1.09 -1.26 -4.97 121.20 123.52 3f6a s ILE 63 Ca 0.73 1.94 -0.10 0.00 -2.23 0.00 0.00 60.65 60.99 3f6a s ILE 63 Cb -0.22 -4.24 0.26 0.00 -1.58 0.00 0.00 42.46 36.69 3f6a s ILE 63 CO 0.32 0.34 1.03 -0.62 -1.23 0.00 0.00 174.94 174.77 3f6a s ASP 64 N -0.24 7.15 0.28 3.58 -1.08 -1.26 -4.92 116.67 120.17 3f6a s ASP 64 Ca 0.47 -3.44 0.01 0.00 -0.52 0.00 0.00 52.55 49.06 3f6a s ASP 64 Cb -0.26 -2.19 0.67 0.00 -1.46 0.00 0.00 42.92 39.68 3f6a s ASP 64 CO 0.32 -0.33 1.65 -0.29 0.52 0.00 0.00 175.17 177.04 3f6a h ILE 65 N 3.89 0.35 -0.63 4.11 6.09 -1.98 0.09 117.51 129.42 3f6a h ILE 65 Ca 0.16 -0.08 0.07 0.00 -1.37 0.00 0.00 64.86 63.65 3f6a h ILE 65 Cb 0.90 0.11 -0.06 0.00 0.47 0.00 0.00 36.82 38.24 3f6a h ILE 65 CO 0.96 0.04 0.31 0.78 -3.07 0.00 0.00 178.15 177.17 3f6a h ASN 66 N 0.22 0.43 0.58 2.19 2.35 -2.00 -0.85 115.58 118.51 3f6a h ASN 66 Ca 0.53 0.05 -0.23 0.00 -0.55 0.00 0.00 56.30 56.10 3f6a h ASN 66 Cb 1.04 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 3f6a h ASN 66 CO -0.63 0.27 -1.01 0.25 -1.65 0.00 0.00 177.43 174.66 3f6a h LEU 67 N 0.57 0.34 0.02 1.61 5.85 -1.60 -2.67 115.31 119.44 3f6a h LEU 67 Ca 0.29 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3f6a h LEU 67 Cb 0.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3f6a h LEU 67 CO -0.22 1.16 -0.01 0.50 -0.34 0.00 0.00 178.44 179.53 3f6a h LYS 68 N 0.11 -0.03 -0.37 1.25 3.64 -0.52 -0.33 116.57 120.32 3f6a h LYS 68 Ca -0.07 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3f6a h LYS 68 Cb 1.68 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.49 3f6a h LYS 68 CO 0.16 0.09 0.02 0.87 -2.27 0.00 0.00 179.45 178.32 3f6a h LYS 69 N -0.14 0.64 -0.33 1.90 1.57 -1.26 -2.06 116.57 116.90 3f6a h LYS 69 Ca -0.00 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 3f6a h LYS 69 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3f6a h LYS 69 CO 0.00 0.73 -0.02 0.66 -0.57 0.00 0.00 179.45 180.25 3f6a h SER 70 N 0.47 0.48 -0.09 0.86 4.64 -1.45 -2.43 113.55 116.03 3f6a h SER 70 Ca 0.11 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3f6a h SER 70 Cb 0.43 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3f6a h SER 70 CO 0.01 0.57 0.02 0.00 -0.87 0.00 0.00 176.83 176.56 3f6a h ASP 72 N -0.07 0.59 -0.20 0.00 3.32 -1.12 0.20 116.42 119.14 3f6a h ASP 72 Ca 0.03 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3f6a h ASP 72 Cb 0.27 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3f6a h ASP 72 CO 0.00 0.33 0.12 -0.07 -1.72 0.00 0.00 179.24 177.90 3f6a h LEU 73 N 0.71 0.21 0.00 1.55 3.38 -1.30 -1.29 115.31 118.57 3f6a h LEU 73 Ca 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3f6a h LEU 73 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3f6a h LEU 73 CO -0.27 0.15 0.00 -1.20 0.09 0.00 0.00 178.44 177.21 3f6a n SER 74 N -4.96 0.00 -0.13 -0.43 7.64 -0.52 -4.80 113.62 110.41 3f6a n SER 74 Ca -0.03 -0.72 -0.02 0.00 1.01 0.00 0.00 58.87 59.12 3f6a n SER 74 Cb 0.03 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3f6a n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f6a n GLY 75 N -0.03 0.53 3.79 0.23 0.00 -0.49 -5.03 105.19 104.20 3f6a n GLY 75 Ca 0.06 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 3f6a n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f6a s GLU 76 N -1.35 2.21 -0.05 1.61 2.02 0.59 -4.98 118.70 118.76 3f6a s GLU 76 Ca 0.00 -2.07 -0.00 0.00 0.02 0.00 0.00 54.97 52.92 3f6a s GLU 76 Cb 0.00 -1.87 0.03 0.00 0.10 0.00 0.00 34.13 32.38 3f6a s GLU 76 CO 0.00 -0.34 -0.00 0.15 0.02 0.00 0.00 175.26 175.09 3f6a s LYS 77 N -4.01 0.46 -0.22 1.61 1.02 -1.26 -2.60 119.74 114.73 3f6a s LYS 77 Ca 0.28 0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.07 3f6a s LYS 77 Cb 0.02 -0.71 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 3f6a s LYS 77 CO 0.16 -0.20 1.17 -1.17 -0.92 0.00 0.00 175.35 174.39 3f6a s LEU 78 N 1.41 4.08 0.53 3.17 2.96 -1.26 -5.02 118.68 124.55 3f6a s LEU 78 Ca -0.04 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.33 3f6a s LEU 78 Cb -0.13 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.05 3f6a s LEU 78 CO -0.03 -0.79 0.75 -0.76 -1.32 0.00 0.00 176.35 174.20 3f6a s LEU 79 N 3.53 3.36 0.03 -0.68 1.43 -1.26 -5.03 118.68 120.06 3f6a s LEU 79 Ca 0.50 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 3f6a s LEU 79 Cb -0.18 -2.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 3f6a s LEU 79 CO 0.13 -1.05 1.25 -0.51 0.23 0.00 0.00 176.35 176.40 3f6a s ILE 80 N -2.71 3.96 0.20 -0.59 1.10 -1.26 -5.00 121.20 116.90 3f6a s ILE 80 Ca 0.56 1.37 -0.17 0.00 -0.51 0.00 0.00 60.65 61.90 3f6a s ILE 80 Cb -0.10 -3.88 -0.08 0.00 0.15 0.00 0.00 42.46 38.55 3f6a s ILE 80 CO 0.38 0.06 0.65 0.21 -2.11 0.00 0.00 174.94 174.13 3f6a s ASN 81 N 1.31 6.93 0.76 4.50 3.04 -1.26 -4.84 114.94 125.38 3f6a s ASN 81 Ca 0.59 1.26 -0.12 0.00 0.04 0.00 0.00 52.86 54.64 3f6a s ASN 81 Cb -0.29 -2.36 0.05 0.00 -1.54 0.00 0.00 41.25 37.11 3f6a s ASN 81 CO 0.27 0.04 1.10 -2.16 -3.04 0.00 0.00 177.10 173.31 3f6a s PRO 82 N -2.07 2.26 0.04 0.43 0.04 -1.26 -4.95 135.00 129.49 3f6a s PRO 82 Ca 0.42 1.27 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 3f6a s PRO 82 Cb -0.15 -1.89 -0.34 0.00 0.04 0.00 0.00 34.50 32.16 3f6a s PRO 82 CO 0.20 -1.65 1.04 0.82 0.04 0.00 0.00 177.00 177.44 3f6a h ILE 83 N -0.91 1.28 -4.00 0.56 1.08 -0.58 -3.47 117.51 111.46 3f6a h ILE 83 Ca -0.44 -2.61 -0.10 0.00 -0.39 0.00 0.00 64.86 61.31 3f6a h ILE 83 Cb 1.24 2.92 -0.14 0.00 -3.07 0.00 0.00 36.82 37.77 3f6a h ILE 83 CO 0.51 0.79 -0.51 -1.00 -0.69 0.00 0.00 178.15 177.25 3f6a s HIS 84 N -2.74 0.32 -0.12 1.37 3.76 -1.16 -5.02 115.29 111.71 3f6a s HIS 84 Ca -0.09 -0.80 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 3f6a s HIS 84 Cb 0.05 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.55 3f6a s HIS 84 CO 0.94 -0.47 -0.09 0.99 -0.85 0.00 0.00 174.74 175.26 3f6a s THR 85 N -3.89 1.11 0.04 1.30 2.01 -1.26 -0.90 115.64 114.05 3f6a s THR 85 Ca 0.06 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.78 3f6a s THR 85 Cb 0.06 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3f6a s THR 85 CO -0.10 0.38 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.37 3f6a s ILE 86 N 1.62 1.64 -0.31 1.82 1.01 -0.39 -4.96 121.20 121.63 3f6a s ILE 86 Ca 0.04 -1.17 -0.14 0.00 0.00 0.00 0.00 60.65 59.38 3f6a s ILE 86 Cb -0.13 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3f6a s ILE 86 CO -0.08 0.22 0.34 -0.22 0.00 0.00 0.00 174.94 175.19 3f6a s LEU 87 N -1.12 4.25 0.16 2.97 2.96 -1.26 0.75 118.68 127.38 3f6a s LEU 87 Ca 0.07 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3f6a s LEU 87 Cb -0.09 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3f6a s LEU 87 CO 0.02 -0.25 0.17 -0.83 -1.32 0.00 0.00 176.35 174.14 3f6a s GLY 88 N 1.71 1.72 0.00 7.98 0.00 0.16 -4.95 107.32 113.93 3f6a s GLY 88 Ca 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3f6a s GLY 88 CO 0.11 -1.17 0.00 1.34 0.00 0.00 0.00 173.10 173.38 3f6a n ASP 89 N -0.38 2.78 -4.05 1.64 2.03 -1.26 -0.97 116.55 116.34 3f6a n ASP 89 Ca -0.08 -0.16 -0.11 0.00 0.52 0.00 0.00 54.79 54.96 3f6a n ASP 89 Cb 0.54 0.87 -0.11 0.00 -0.72 0.00 0.00 41.12 41.70 3f6a n ASP 89 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3f6a s VAL 90 N -1.43 0.42 -0.61 5.18 0.11 -1.26 -3.62 120.40 119.19 3f6a s VAL 90 Ca 0.00 -1.15 -0.12 0.00 -2.93 0.00 0.00 61.98 57.78 3f6a s VAL 90 Cb 0.00 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3f6a s VAL 90 CO 0.00 -0.49 0.65 -0.24 -3.33 0.00 0.00 175.10 171.68 3f6a n SER 91 N 1.29 -6.89 -4.74 3.54 2.88 -1.26 -4.68 113.62 103.76 3f6a n SER 91 Ca -0.22 -0.07 -0.33 0.00 -1.33 0.00 0.00 58.87 56.92 3f6a n SER 91 Cb 0.56 -4.02 0.09 0.00 -0.75 0.00 0.00 64.21 60.09 3f6a n SER 91 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3f6a s PRO 92 N -3.16 2.22 -0.67 -1.46 0.04 -1.26 -5.06 135.00 125.66 3f6a s PRO 92 Ca 0.14 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 3f6a s PRO 92 Cb -0.03 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 3f6a s PRO 92 CO 0.81 -1.72 3.01 0.09 0.04 0.00 0.00 177.00 179.23 3f6a n ASN 93 N -2.90 6.76 -3.64 6.66 3.02 -1.26 -4.72 115.26 119.18 3f6a n ASN 93 Ca 0.12 -2.85 -0.15 0.00 -0.03 0.00 0.00 54.58 51.66 3f6a n ASN 93 Cb 0.51 -1.37 -0.08 0.00 -0.61 0.00 0.00 39.78 38.23 3f6a n ASN 93 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3f6a s HIS 94 N -0.07 -0.48 0.27 3.10 -3.43 -1.24 -4.95 115.29 108.50 3f6a s HIS 94 Ca 0.63 0.90 -0.30 0.00 -0.80 0.00 0.00 55.06 55.48 3f6a s HIS 94 Cb 0.29 0.25 -0.13 0.00 -1.43 0.00 0.00 32.58 31.56 3f6a s HIS 94 CO -0.10 -0.46 1.31 0.45 -2.00 0.00 0.00 174.74 173.94 3f6a n SER 95 N 1.46 2.52 -3.56 7.38 2.88 -1.26 -4.58 113.62 118.46 3f6a n SER 95 Ca -0.19 1.17 -0.16 0.00 -1.33 0.00 0.00 58.87 58.36 3f6a n SER 95 Cb 0.56 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.55 3f6a n SER 95 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 3f6a s HIS 96 N -0.50 -0.51 -0.05 0.66 -3.43 -0.14 -4.83 115.29 106.49 3f6a s HIS 96 Ca 0.63 0.76 -0.16 0.00 -0.80 0.00 0.00 55.06 55.49 3f6a s HIS 96 Cb -0.64 0.35 -0.05 0.00 -1.43 0.00 0.00 32.58 30.81 3f6a s HIS 96 CO 0.55 -0.60 0.44 0.42 -2.00 0.00 0.00 174.74 173.55 3f6a s ILE 97 N -1.74 5.08 -0.21 -5.38 1.01 0.40 0.37 121.20 120.73 3f6a s ILE 97 Ca -0.09 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.48 3f6a s ILE 97 Cb -0.01 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.73 3f6a s ILE 97 CO 0.04 0.46 -0.15 -0.62 0.00 0.00 0.00 174.94 174.68 3f6a s ASP 98 N -0.31 3.68 -0.34 3.58 2.15 0.23 -0.44 116.67 125.23 3f6a s ASP 98 Ca 0.25 -0.98 -0.23 0.00 0.43 0.00 0.00 52.55 52.02 3f6a s ASP 98 Cb -0.16 -1.47 0.01 0.00 -0.30 0.00 0.00 42.92 41.00 3f6a s ASP 98 CO 0.12 -0.10 0.79 -0.36 -0.17 0.00 0.00 175.17 175.45 3f6a s PHE 99 N 1.23 3.15 -0.16 -5.34 0.08 -0.19 -1.27 117.98 115.48 3f6a s PHE 99 Ca -0.01 0.67 -0.15 0.00 0.12 0.00 0.00 56.93 57.55 3f6a s PHE 99 Cb -0.16 -3.33 -0.04 0.00 -0.57 0.00 0.00 43.02 38.91 3f6a s PHE 99 CO -0.09 -0.67 0.36 0.08 -0.10 0.00 0.00 175.22 174.80 3f6a s VAL 100 N 3.05 5.26 0.14 -0.44 1.01 -0.08 -1.16 120.40 128.17 3f6a s VAL 100 Ca 0.32 0.66 0.09 0.00 0.00 0.00 0.00 61.98 63.05 3f6a s VAL 100 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3f6a s VAL 100 CO 0.15 0.34 -0.20 -0.31 0.00 0.00 0.00 175.10 175.08 3f6a s TYR 101 N 0.74 1.87 0.04 5.22 2.02 0.04 0.25 117.35 127.53 3f6a s TYR 101 Ca 0.19 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.52 3f6a s TYR 101 Cb -0.14 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3f6a s TYR 101 CO 0.06 0.29 -0.17 0.71 -1.57 0.00 0.00 175.55 174.87 3f6a s TYR 102 N -1.56 2.60 0.31 2.71 2.02 -1.26 -1.22 117.35 120.94 3f6a s TYR 102 Ca 0.12 -0.23 -0.10 0.00 -0.37 0.00 0.00 57.07 56.48 3f6a s TYR 102 Cb -0.08 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 3f6a s TYR 102 CO 0.06 0.27 0.55 0.00 -1.57 0.00 0.00 175.55 174.86 3f6a s ALA 103 N -0.94 -0.06 0.23 3.71 0.00 -0.03 -0.70 121.76 123.96 3f6a s ALA 103 Ca 0.15 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.17 3f6a s ALA 103 Cb -0.11 1.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 3f6a s ALA 103 CO 0.06 -0.87 -0.16 0.95 0.00 0.00 0.00 175.76 175.74 3f6a s THR 104 N -3.37 1.95 0.10 0.00 -4.23 -0.43 -0.39 115.64 109.27 3f6a s THR 104 Ca 0.23 -2.26 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 3f6a s THR 104 Cb -0.02 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3f6a s THR 104 CO 0.13 -0.53 0.21 0.28 -0.54 0.00 0.00 174.62 174.18 3f6a s THR 105 N -2.84 0.13 0.04 3.99 -1.32 -0.78 -0.88 115.64 113.98 3f6a s THR 105 Ca 0.25 -1.14 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 3f6a s THR 105 Cb -0.02 -1.36 -0.27 0.00 -1.51 0.00 0.00 72.50 69.35 3f6a s THR 105 CO 0.09 -0.60 1.01 0.71 -2.21 0.00 0.00 174.62 173.62 3f6a h THR 106 N 2.70 1.34 -3.54 5.08 1.35 -1.88 -3.40 112.91 114.55 3f6a h THR 106 Ca -0.34 -2.98 -0.34 0.00 -0.55 0.00 0.00 66.41 62.20 3f6a h THR 106 Cb 1.21 2.81 -0.16 0.00 -1.73 0.00 0.00 68.15 70.28 3f6a h THR 106 CO 0.55 0.85 -0.73 -0.94 -0.25 0.00 0.00 175.52 175.00 3f6a s SER 107 N -6.93 1.70 0.33 5.36 1.04 -1.26 -4.91 113.70 109.03 3f6a s SER 107 Ca -0.05 -0.91 0.26 0.00 0.48 0.00 0.00 55.95 55.72 3f6a s SER 107 Cb 0.07 -0.01 0.76 0.00 0.10 0.00 0.00 66.02 66.94 3f6a s SER 107 CO 0.86 -0.28 1.74 -0.26 0.98 0.00 0.00 173.24 176.28 3f6a h PHE 108 N 3.18 0.00 -3.25 5.02 0.04 -1.96 -3.45 116.94 116.51 3f6a h PHE 108 Ca -0.37 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.87 3f6a h PHE 108 Cb 1.19 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.39 3f6a h PHE 108 CO 0.64 0.00 0.79 -2.00 -0.60 0.00 0.00 178.31 177.14 3f6a s GLU 109 N -3.24 4.25 0.07 1.51 2.12 -1.26 -5.01 118.70 117.15 3f6a s GLU 109 Ca 0.07 2.31 0.04 0.00 0.36 0.00 0.00 54.97 57.76 3f6a s GLU 109 Cb 0.09 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 3f6a s GLU 109 CO 0.58 -0.47 -0.11 0.95 -0.54 0.00 0.00 175.26 175.67 3f6a s THR 110 N 0.28 0.91 -0.41 -1.70 -4.23 -1.26 -4.92 115.64 104.30 3f6a s THR 110 Ca 0.62 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.80 3f6a s THR 110 Cb -0.42 -1.06 0.16 0.00 1.34 0.00 0.00 72.50 72.52 3f6a s THR 110 CO 0.40 -0.38 0.40 -0.55 -0.54 0.00 0.00 174.62 173.95 3f6a s SER 111 N -1.96 1.02 0.55 3.99 0.15 -0.09 -4.98 113.70 112.39 3f6a s SER 111 Ca -0.01 -2.24 -0.21 0.00 0.70 0.00 0.00 55.95 54.18 3f6a s SER 111 Cb -0.07 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.49 3f6a s SER 111 CO 0.01 -0.20 1.33 -2.84 1.20 0.00 0.00 173.24 172.75 3f6a s PRO 112 N 0.77 3.13 0.74 5.44 0.02 -1.26 -2.95 135.00 140.89 3f6a s PRO 112 Ca 0.25 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 3f6a s PRO 112 Cb -0.06 -2.22 0.04 0.00 0.02 0.00 0.00 34.50 32.27 3f6a s PRO 112 CO -0.09 -1.18 1.12 -1.21 -0.33 0.00 0.00 177.00 175.31 3f6a s GLU 113 N -2.95 2.54 0.07 5.54 2.02 0.40 -4.92 118.70 121.40 3f6a s GLU 113 Ca 0.72 0.31 -0.36 0.00 0.02 0.00 0.00 54.97 55.66 3f6a s GLU 113 Cb -0.39 -2.01 -0.18 0.00 0.10 0.00 0.00 34.13 31.65 3f6a s GLU 113 CO 0.45 -1.22 1.07 1.51 0.02 0.00 0.00 175.26 177.09 3f6a n ILE 114 N -3.10 0.42 -0.87 -1.63 3.06 -1.26 -1.99 119.36 113.99 3f6a n ILE 114 Ca 0.07 -0.10 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 3f6a n ILE 114 Cb 0.59 -0.32 0.00 0.00 0.54 0.00 0.00 39.64 40.45 3f6a n ILE 114 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3f6a n GLY 115 N 1.86 0.75 3.93 4.50 0.00 -1.26 -5.01 105.19 109.96 3f6a n GLY 115 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3f6a n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f6a s GLU 116 N -0.26 3.02 0.26 1.61 0.41 -0.84 -5.01 118.70 117.90 3f6a s GLU 116 Ca 0.00 -0.17 -0.31 0.00 -0.41 0.00 0.00 54.97 54.09 3f6a s GLU 116 Cb 0.00 -2.38 -0.13 0.00 -1.78 0.00 0.00 34.13 29.84 3f6a s GLU 116 CO 0.00 -0.51 1.48 0.45 -0.49 0.00 0.00 175.26 176.20 3f6a n SER 117 N -2.37 3.20 -1.04 -0.19 2.88 -1.26 -4.89 113.62 109.94 3f6a n SER 117 Ca 0.03 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.81 3f6a n SER 117 Cb 0.57 -1.50 0.22 0.00 -0.75 0.00 0.00 64.21 62.76 3f6a n SER 117 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3f6a n LYS 118 N 2.07 2.52 -3.69 -1.46 4.76 -1.26 -4.82 118.16 116.27 3f6a n LYS 118 Ca 0.10 -2.27 -0.38 0.00 -2.87 0.00 0.00 58.31 52.89 3f6a n LYS 118 Cb 0.34 -1.45 -0.11 0.00 -1.84 0.00 0.00 35.03 31.97 3f6a n LYS 118 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3f6a s ILE 119 N -1.15 3.68 -0.08 -0.18 1.01 -1.26 -5.06 121.20 118.16 3f6a s ILE 119 Ca 0.36 -1.83 0.05 0.00 0.00 0.00 0.00 60.65 59.23 3f6a s ILE 119 Cb 0.20 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 3f6a s ILE 119 CO 0.27 -0.65 -0.23 -0.76 0.00 0.00 0.00 174.94 173.57 3f6a s LEU 120 N 1.26 2.03 0.03 2.97 1.02 -1.26 -1.38 118.68 123.35 3f6a s LEU 120 Ca 0.06 -0.50 0.03 0.00 0.02 0.00 0.00 54.13 53.74 3f6a s LEU 120 Cb -0.24 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 3f6a s LEU 120 CO -0.02 0.18 -0.10 -0.54 0.02 0.00 0.00 176.35 175.89 3f6a s LYS 121 N 0.15 0.70 -0.13 1.70 1.02 -0.46 -4.99 119.74 117.73 3f6a s LYS 121 Ca -0.12 -0.67 -0.07 0.00 0.02 0.00 0.00 55.97 55.14 3f6a s LYS 121 Cb -0.16 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3f6a s LYS 121 CO 0.06 0.15 0.11 -1.58 -0.92 0.00 0.00 175.35 173.17 3f6a s TRP 122 N -0.92 3.47 -0.04 3.18 0.52 -1.26 -1.87 118.94 122.03 3f6a s TRP 122 Ca -0.02 0.41 0.06 0.00 0.02 0.00 0.00 56.10 56.57 3f6a s TRP 122 Cb -0.08 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.27 3f6a s TRP 122 CO 0.01 0.58 -0.23 0.71 0.02 0.00 0.00 176.95 178.04 3f6a s TYR 123 N -0.68 2.15 0.59 -1.98 2.02 0.41 -4.87 117.35 114.98 3f6a s TYR 123 Ca 0.13 -0.56 -0.06 0.00 -0.37 0.00 0.00 57.07 56.21 3f6a s TYR 123 Cb -0.12 -1.41 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3f6a s TYR 123 CO 0.03 -0.14 0.90 -1.54 -1.57 0.00 0.00 175.55 173.22 3f6a s SER 124 N -0.25 5.58 0.56 2.29 1.04 -1.26 -1.13 113.70 120.53 3f6a s SER 124 Ca 0.01 0.69 0.26 0.00 0.48 0.00 0.00 55.95 57.39 3f6a s SER 124 Cb -0.12 -1.68 1.63 0.00 0.10 0.00 0.00 66.02 65.95 3f6a s SER 124 CO 0.02 -1.06 2.20 0.50 0.98 0.00 0.00 173.24 175.87 3f6a h LYS 125 N -0.17 0.00 -0.18 4.02 3.64 -1.98 -1.30 116.57 120.61 3f6a h LYS 125 Ca -0.45 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.83 3f6a h LYS 125 Cb 1.26 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3f6a h LYS 125 CO 0.60 0.03 -0.25 0.93 -2.27 0.00 0.00 179.45 178.49 3f6a h GLU 126 N 0.00 0.49 -3.17 1.90 5.08 -1.95 -3.23 114.58 113.69 3f6a h GLU 126 Ca -0.00 -0.28 -0.30 0.00 -1.00 0.00 0.00 59.36 57.78 3f6a h GLU 126 Cb 0.06 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3f6a h GLU 126 CO 0.00 0.87 1.89 -0.25 -1.00 0.00 0.00 179.01 180.53 3f6a n ASP 127 N -4.41 4.35 0.00 1.42 8.00 -0.49 -4.20 116.55 121.21 3f6a n ASP 127 Ca -0.06 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.20 3f6a n ASP 127 Cb 0.44 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 3f6a n ASP 127 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3f6a n LEU 128 N 3.81 0.00 0.00 0.64 0.00 -1.22 -4.60 117.00 115.63 3f6a n LEU 128 Ca 0.38 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.41 3f6a n LEU 128 Cb 0.23 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.72 3f6a n LEU 128 CO 0.56 0.00 0.30 2.29 0.00 0.00 0.00 177.39 180.54 3f6a n LYS 129 N -0.79 0.47 0.01 1.96 2.85 -1.26 -3.19 118.16 118.22 3f6a n LYS 129 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 3f6a n LYS 129 Cb 0.00 -1.08 -0.13 0.00 -0.65 0.00 0.00 35.03 33.17 3f6a n LYS 129 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 3f6a h ASN 130 N 0.00 0.07 -4.34 -5.58 -0.26 -1.82 -3.47 115.58 100.17 3f6a h ASN 130 Ca 0.00 -0.12 -0.51 0.00 -0.56 0.00 0.00 56.30 55.12 3f6a h ASN 130 Cb 0.00 -0.02 0.09 0.00 -1.06 0.00 0.00 38.32 37.32 3f6a h ASN 130 CO 0.00 1.10 0.38 0.00 -1.06 0.00 0.00 177.43 177.85 3f6a s ALA 131 N -2.63 2.75 -0.07 -0.83 0.00 -1.19 -4.99 121.76 114.80 3f6a s ALA 131 Ca -0.04 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3f6a s ALA 131 Cb 0.08 -3.14 0.17 0.00 0.00 0.00 0.00 23.12 20.23 3f6a s ALA 131 CO 0.82 -1.14 1.09 0.72 0.00 0.00 0.00 175.76 177.25 3f6a n HIS 132 N -3.06 0.00 -2.63 0.00 8.25 -1.26 -4.74 115.22 111.77 3f6a n HIS 132 Ca 0.07 -0.55 0.02 0.00 -0.26 0.00 0.00 57.72 57.00 3f6a n HIS 132 Cb 0.54 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.58 3f6a n HIS 132 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f6a n ASN 133 N -0.69 1.07 -3.78 0.41 6.94 -1.26 -5.05 115.26 112.91 3f6a n ASN 133 Ca 0.08 -2.02 -0.25 0.00 -0.02 0.00 0.00 54.58 52.37 3f6a n ASN 133 Cb 0.69 -0.32 -0.17 0.00 -2.36 0.00 0.00 39.78 37.62 3f6a n ASN 133 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3f6a s ILE 134 N -1.67 0.53 0.57 1.53 1.01 -1.26 -4.52 121.20 117.39 3f6a s ILE 134 Ca 0.29 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 3f6a s ILE 134 Cb 0.35 -0.81 -0.06 0.00 0.01 0.00 0.00 42.46 41.94 3f6a s ILE 134 CO -0.10 0.09 0.87 0.00 0.00 0.00 0.00 174.94 175.79 3f6a n GLN 135 N 5.08 0.86 -0.19 2.79 6.02 -1.26 -4.76 117.38 125.92 3f6a n GLN 135 Ca -0.09 0.33 -0.03 0.00 -0.01 0.00 0.00 57.00 57.20 3f6a n GLN 135 Cb 0.49 -2.04 0.07 0.00 1.02 0.00 0.00 30.24 29.77 3f6a n GLN 135 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3f6a h GLU 136 N 0.56 0.56 0.00 -1.09 4.39 -2.00 -1.91 114.58 115.09 3f6a h GLU 136 Ca -0.47 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.16 3f6a h GLU 136 Cb 1.37 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3f6a h GLU 136 CO 0.51 0.37 -0.17 -2.95 -1.16 0.00 0.00 179.01 175.60 3f6a h ASN 137 N 0.57 0.00 0.07 1.42 -1.07 -2.00 -0.94 115.58 113.64 3f6a h ASN 137 Ca 0.25 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.39 3f6a h ASN 137 Cb 0.15 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.41 3f6a h ASN 137 CO -0.17 0.17 -0.87 0.40 0.07 0.00 0.00 177.43 177.04 3f6a h ILE 138 N 0.00 1.32 -0.71 6.14 1.08 -1.76 -3.07 117.51 120.51 3f6a h ILE 138 Ca -0.00 -2.17 -0.03 0.00 -0.39 0.00 0.00 64.86 62.27 3f6a h ILE 138 Cb 0.42 2.19 -0.03 0.00 -3.07 0.00 0.00 36.82 36.33 3f6a h ILE 138 CO 0.02 0.67 0.34 -0.07 -0.69 0.00 0.00 178.15 178.42 3f6a h LEU 139 N 0.39 0.91 -1.01 1.44 3.38 -0.54 -1.03 115.31 118.85 3f6a h LEU 139 Ca -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3f6a h LEU 139 Cb 1.50 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3f6a h LEU 139 CO 0.17 0.77 0.00 0.52 0.09 0.00 0.00 178.44 179.99 3f6a n VAL 140 N -4.33 0.00 0.00 1.22 0.31 -0.45 -2.24 118.33 112.84 3f6a n VAL 140 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3f6a n VAL 140 Cb 0.13 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 3f6a n VAL 140 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f6a n ALA 142 N 0.30 0.00 -0.09 3.52 0.00 -0.39 -0.96 120.51 122.89 3f6a n ALA 142 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3f6a n ALA 142 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 3f6a n ALA 142 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3f6a h THR 143 N 0.00 1.28 -0.55 0.00 2.02 -1.69 -1.70 112.91 112.27 3f6a h THR 143 Ca 0.00 -1.68 -0.04 0.00 0.77 0.00 0.00 66.41 65.46 3f6a h THR 143 Cb 0.00 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3f6a h THR 143 CO 0.00 0.55 0.19 -0.33 0.37 0.00 0.00 175.52 176.30 3f6a h GLU 144 N 0.64 0.84 -0.61 6.66 5.08 -1.33 0.75 114.58 126.62 3f6a h GLU 144 Ca 0.02 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3f6a h GLU 144 Cb 1.10 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 3f6a h GLU 144 CO 0.11 0.75 0.34 0.00 -1.00 0.00 0.00 179.01 179.22 3f6a h ALA 145 N 1.05 0.80 -0.25 3.43 0.00 -1.79 0.30 119.26 122.81 3f6a h ALA 145 Ca 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3f6a h ALA 145 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3f6a h ALA 145 CO -0.01 0.04 0.04 -0.07 0.00 0.00 0.00 179.25 179.24 3f6a h LEU 146 N 0.66 0.39 -1.46 0.00 3.38 -0.89 0.65 115.31 118.04 3f6a h LEU 146 Ca 0.26 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3f6a h LEU 146 Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3f6a h LEU 146 CO -0.15 0.56 0.37 0.44 0.09 0.00 0.00 178.44 179.74 3f6a h ASP 147 N 0.21 0.63 0.00 -0.43 3.32 -0.43 0.94 116.42 120.67 3f6a h ASP 147 Ca 0.07 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3f6a h ASP 147 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3f6a h ASP 147 CO 0.01 0.45 -0.09 0.25 -1.72 0.00 0.00 179.24 178.14 3f6a h LEU 148 N 0.74 0.08 -3.98 1.55 5.85 -0.74 -3.33 115.31 115.48 3f6a h LEU 148 Ca 0.20 -0.82 -0.55 0.00 0.84 0.00 0.00 57.88 57.55 3f6a h LEU 148 Cb -0.08 -0.02 -0.30 0.00 0.37 0.00 0.00 40.66 40.63 3f6a h LEU 148 CO -0.04 0.89 0.68 0.18 -0.34 0.00 0.00 178.44 179.80 3f6a n LEU 149 N -4.62 6.88 0.00 2.25 4.77 0.20 -5.10 117.00 121.38 3f6a n LEU 149 Ca -0.10 -3.78 0.00 0.00 -0.03 0.00 0.00 56.01 52.11 3f6a n LEU 149 Cb 0.45 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 3f6a n LEU 149 CO 0.36 1.16 0.00 1.21 -1.33 0.00 0.00 177.39 178.79