#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3b n GLN 5 N 0.00 -0.89 -3.64 -0.14 7.27 -1.26 -5.26 117.38 113.47 3f3b n GLN 5 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 3f3b n GLN 5 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 3f3b n GLN 5 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3f3b s LEU 7 N 0.00 -0.53 -0.11 1.69 1.43 -1.26 -5.08 118.68 114.82 3f3b s LEU 7 Ca 0.00 0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 53.87 3f3b s LEU 7 Cb 0.00 1.99 -0.03 0.00 0.03 0.00 0.00 46.19 48.17 3f3b s LEU 7 CO 0.00 -0.17 0.63 -0.63 0.23 0.00 0.00 176.35 176.41 3f3b s ILE 8 N 0.43 5.07 0.40 -0.59 1.09 -1.26 -4.43 121.20 121.91 3f3b s ILE 8 Ca 0.01 1.26 0.08 0.00 -1.10 0.00 0.00 60.65 60.89 3f3b s ILE 8 Cb -0.05 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 3f3b s ILE 8 CO -0.06 0.23 0.26 -1.00 -0.10 0.00 0.00 174.94 174.27 3f3b s HIS 9 N 1.05 2.68 -0.05 3.97 3.76 0.24 -4.92 115.29 122.01 3f3b s HIS 9 Ca 0.32 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 3f3b s HIS 9 Cb -0.17 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.54 3f3b s HIS 9 CO 0.14 0.09 -0.13 1.03 -0.85 0.00 0.00 174.74 175.02 3f3b s ARG 10 N -3.99 1.61 0.09 1.40 1.81 -1.26 -1.92 118.95 116.68 3f3b s ARG 10 Ca 0.43 -0.45 -0.01 0.00 -1.72 0.00 0.00 55.73 53.98 3f3b s ARG 10 Cb -0.00 -1.37 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 3f3b s ARG 10 CO 0.25 0.10 0.01 0.00 -0.68 0.00 0.00 175.30 174.97 3f3b s ASP 12 N -2.98 5.28 -0.04 0.00 1.01 -0.65 -0.92 116.67 118.38 3f3b s ASP 12 Ca 0.14 0.09 0.06 0.00 0.71 0.00 0.00 52.55 53.55 3f3b s ASP 12 Cb 0.08 -1.45 -0.02 0.00 1.01 0.00 0.00 42.92 42.54 3f3b s ASP 12 CO -0.05 0.32 -0.22 -0.63 0.21 0.00 0.00 175.17 174.80 3f3b s ILE 13 N -1.02 2.37 -0.08 0.77 1.01 -0.91 -0.30 121.20 123.04 3f3b s ILE 13 Ca 0.17 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3f3b s ILE 13 Cb -0.12 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.50 3f3b s ILE 13 CO 0.07 0.58 -0.16 -0.31 0.00 0.00 0.00 174.94 175.13 3f3b s TYR 14 N -0.56 1.81 0.01 3.97 2.02 0.99 -1.01 117.35 124.59 3f3b s TYR 14 Ca 0.08 -0.73 -0.08 0.00 -0.37 0.00 0.00 57.07 55.97 3f3b s TYR 14 Cb -0.11 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 3f3b s TYR 14 CO 0.00 -0.35 0.30 -1.01 -1.57 0.00 0.00 175.55 172.93 3f3b s HIS 15 N 0.65 3.60 0.40 2.71 3.76 -1.26 -0.42 115.29 124.73 3f3b s HIS 15 Ca -0.14 0.67 -0.27 0.00 -0.15 0.00 0.00 55.06 55.17 3f3b s HIS 15 Cb -0.16 -2.06 -0.09 0.00 1.11 0.00 0.00 32.58 31.38 3f3b s HIS 15 CO 0.04 0.61 1.33 -1.21 -0.85 0.00 0.00 174.74 174.66 3f3b s GLU 16 N -1.64 4.01 0.02 1.40 0.41 -1.26 -4.44 118.70 117.20 3f3b s GLU 16 Ca 0.27 2.23 -0.00 0.00 -0.41 0.00 0.00 54.97 57.06 3f3b s GLU 16 Cb -0.14 -2.82 -0.02 0.00 -1.78 0.00 0.00 34.13 29.38 3f3b s GLU 16 CO 0.15 -0.48 -0.02 0.00 -0.49 0.00 0.00 175.26 174.42 3f3b s ALA 17 N -1.22 0.10 -0.03 5.21 0.00 -0.10 -4.94 121.76 120.77 3f3b s ALA 17 Ca 0.56 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 3f3b s ALA 17 Cb -0.40 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3f3b s ALA 17 CO 0.52 -0.13 1.10 0.00 0.00 0.00 0.00 175.76 177.24 3f3b s ALA 18 N -1.22 3.37 0.33 0.00 0.00 -1.26 -1.81 121.76 121.16 3f3b s ALA 18 Ca -0.13 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.31 3f3b s ALA 18 Cb -0.08 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 3f3b s ALA 18 CO -0.01 -0.52 0.66 -0.65 0.00 0.00 0.00 175.76 175.24 3f3b s GLN 19 N 1.63 3.78 0.17 0.00 -1.52 0.19 -4.97 119.66 118.94 3f3b s GLN 19 Ca 0.54 0.33 -0.34 0.00 -1.95 0.00 0.00 55.36 53.94 3f3b s GLN 19 Cb -0.23 -2.52 -0.15 0.00 -0.22 0.00 0.00 33.01 29.90 3f3b s GLN 19 CO 0.24 0.13 1.43 0.00 -0.25 0.00 0.00 175.29 176.84 3f3b n ALA 20 N -0.83 0.54 -1.61 6.09 0.00 -1.26 -4.34 120.51 119.11 3f3b n ALA 20 Ca 0.01 0.45 -0.51 0.00 0.00 0.00 0.00 53.44 53.39 3f3b n ALA 20 Cb 0.53 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 3f3b n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3f3b n PRO 21 N 2.66 1.29 -3.49 0.00 -0.02 -1.26 -4.92 135.00 129.25 3f3b n PRO 21 Ca 0.16 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 3f3b n PRO 21 Cb 0.27 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 3f3b n PRO 21 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3f3b s SER 22 N 0.67 2.22 -0.09 2.55 0.15 -1.26 -5.00 113.70 112.94 3f3b s SER 22 Ca 0.84 -0.75 -0.39 0.00 0.70 0.00 0.00 55.95 56.35 3f3b s SER 22 Cb -0.92 0.13 -0.17 0.00 -1.71 0.00 0.00 66.02 63.35 3f3b s SER 22 CO 0.46 -0.38 1.45 0.00 1.20 0.00 0.00 173.24 175.97 3f3b n ALA 23 N 5.29 -1.13 -2.57 5.45 0.00 -1.26 -4.79 120.51 121.50 3f3b n ALA 23 Ca -0.05 0.49 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 3f3b n ALA 23 Cb 0.46 -2.07 -0.09 0.00 0.00 0.00 0.00 19.45 17.76 3f3b n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f3b s GLY 24 N 1.58 1.72 -0.08 0.00 0.00 -1.21 -4.38 107.32 104.95 3f3b s GLY 24 Ca 0.91 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.00 3f3b s GLY 24 CO 0.57 -1.62 0.11 0.54 0.00 0.00 0.00 173.10 172.70 3f3b n ARG 25 N -0.30 -2.79 -1.18 2.90 1.74 -1.26 -2.29 116.66 113.48 3f3b n ARG 25 Ca -0.09 2.24 -0.06 0.00 -0.77 0.00 0.00 57.85 59.17 3f3b n ARG 25 Cb 0.57 -2.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.27 3f3b n ARG 25 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3f3b n PHE 26 N 2.18 0.00 -3.11 -1.55 0.99 -1.26 -2.62 117.46 112.09 3f3b n PHE 26 Ca -0.19 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.03 3f3b n PHE 26 Cb 0.30 -2.12 0.03 0.00 -1.00 0.00 0.00 39.48 36.69 3f3b n PHE 26 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3f3b n GLY 27 N -0.08 -0.52 3.74 1.37 0.00 -1.18 -4.92 105.19 103.60 3f3b n GLY 27 Ca -0.06 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3f3b n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3f3b n ILE 28 N -4.41 1.74 -1.65 -0.61 -0.00 -0.97 -4.63 119.36 108.82 3f3b n ILE 28 Ca -0.09 -0.44 -0.45 0.00 -0.00 0.00 0.00 62.75 61.78 3f3b n ILE 28 Cb 0.60 -1.82 -0.02 0.00 -0.00 0.00 0.00 39.64 38.40 3f3b n ILE 28 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3f3b n PRO 29 N 0.91 1.83 -2.11 0.38 -0.02 -1.26 -3.32 135.00 131.41 3f3b n PRO 29 Ca 0.04 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 3f3b n PRO 29 Cb 0.37 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.64 3f3b n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f3b s ALA 30 N -0.49 2.87 -0.07 3.55 0.00 -1.26 -4.93 121.76 121.44 3f3b s ALA 30 Ca 0.64 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 3f3b s ALA 30 Cb -0.67 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 3f3b s ALA 30 CO 0.55 -0.90 0.51 0.34 0.00 0.00 0.00 175.76 176.26 3f3b s ASP 31 N -1.30 6.80 0.24 0.00 -1.08 -1.26 -4.97 116.67 115.10 3f3b s ASP 31 Ca 0.68 0.95 0.09 0.00 -0.52 0.00 0.00 52.55 53.74 3f3b s ASP 31 Cb -0.32 -2.31 0.24 0.00 -1.46 0.00 0.00 42.92 39.08 3f3b s ASP 31 CO 0.38 0.06 1.54 0.03 0.52 0.00 0.00 175.17 177.70 3f3b h ARG 32 N 6.16 0.04 -0.10 4.34 3.08 -2.00 -2.78 114.38 123.11 3f3b h ARG 32 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3f3b h ARG 32 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3f3b h ARG 32 CO 0.72 0.71 0.00 -0.11 -1.07 0.00 0.00 179.97 180.22 3f3b n LEU 33 N -3.74 0.75 -2.94 3.04 7.94 -1.26 -4.08 117.00 116.71 3f3b n LEU 33 Ca -0.01 -0.34 -0.14 0.00 -1.11 0.00 0.00 56.01 54.41 3f3b n LEU 33 Cb 0.67 -0.07 0.01 0.00 0.53 0.00 0.00 43.42 44.57 3f3b n LEU 33 CO 0.43 0.17 0.03 1.67 -1.11 0.00 0.00 177.39 178.58 3f3b n GLN 34 N -0.22 0.85 -1.19 1.96 -0.06 -1.05 -5.15 117.38 112.53 3f3b n GLN 34 Ca 0.11 -2.45 -0.29 0.00 -2.00 0.00 0.00 57.00 52.37 3f3b n GLN 34 Cb 0.16 -1.34 0.19 0.00 -4.06 0.00 0.00 30.24 25.18 3f3b n GLN 34 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 3f3b s PRO 35 N -0.43 0.01 -0.31 3.69 0.02 -1.21 -4.47 135.00 132.30 3f3b s PRO 35 Ca 0.32 0.32 -0.19 0.00 0.02 0.00 0.00 61.00 61.47 3f3b s PRO 35 Cb 0.25 -1.71 -0.01 0.00 0.02 0.00 0.00 34.50 33.05 3f3b s PRO 35 CO -0.14 -2.97 0.55 0.08 -0.33 0.00 0.00 177.00 174.20 3f3b s VAL 36 N -3.02 5.00 -0.19 3.83 1.01 -1.26 -4.93 120.40 120.85 3f3b s VAL 36 Ca 0.67 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.22 3f3b s VAL 36 Cb -0.16 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3f3b s VAL 36 CO 0.57 -0.10 0.18 -0.63 0.00 0.00 0.00 175.10 175.12 3f3b s ILE 37 N 2.45 5.38 0.31 2.22 -1.09 -1.26 0.56 121.20 129.77 3f3b s ILE 37 Ca 0.22 0.29 -0.19 0.00 -2.23 0.00 0.00 60.65 58.74 3f3b s ILE 37 Cb -0.15 -3.52 0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3f3b s ILE 37 CO 0.12 0.42 0.77 -0.94 -1.23 0.00 0.00 174.94 174.07 3f3b s SER 38 N 0.42 -0.16 0.19 3.58 1.04 -0.75 -4.92 113.70 113.10 3f3b s SER 38 Ca 0.10 -0.79 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 3f3b s SER 38 Cb -0.12 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 3f3b s SER 38 CO -0.00 -1.44 0.38 -0.31 0.98 0.00 0.00 173.24 172.85 3f3b s TYR 39 N -3.28 3.48 0.79 5.02 1.51 -1.26 -0.93 117.35 122.69 3f3b s TYR 39 Ca 0.13 0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 56.44 3f3b s TYR 39 Cb -0.05 -1.87 0.07 0.00 -0.11 0.00 0.00 41.96 39.99 3f3b s TYR 39 CO 0.08 0.40 1.13 -1.25 -1.11 0.00 0.00 175.55 174.80 3f3b s PRO 40 N -3.18 2.14 0.13 -1.71 0.04 -1.26 -4.99 135.00 126.17 3f3b s PRO 40 Ca 0.39 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.66 3f3b s PRO 40 Cb -0.11 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 3f3b s PRO 40 CO 0.28 -1.53 1.59 -0.44 0.04 0.00 0.00 177.00 176.94 3f3b h ASP 41 N -1.01 0.76 -2.73 6.66 5.19 -2.01 -3.44 116.42 119.83 3f3b h ASP 41 Ca -0.47 -0.30 -0.58 0.00 -0.62 0.00 0.00 57.03 55.06 3f3b h ASP 41 Cb 1.29 -0.20 -0.08 0.00 0.18 0.00 0.00 39.33 40.52 3f3b h ASP 41 CO 0.63 0.88 -0.58 0.42 -3.12 0.00 0.00 179.24 177.47 3f3b s THR 42 N -5.02 4.38 0.40 0.35 -4.23 -1.26 -5.09 115.64 105.17 3f3b s THR 42 Ca -0.13 -1.12 -0.27 0.00 -1.18 0.00 0.00 61.69 58.99 3f3b s THR 42 Cb 0.11 -3.23 -0.10 0.00 1.34 0.00 0.00 72.50 70.62 3f3b s THR 42 CO 0.80 -0.10 1.47 -2.84 -0.54 0.00 0.00 174.62 173.40 3f3b s PRO 43 N -3.07 3.96 0.05 3.99 0.02 -1.26 -4.93 135.00 133.76 3f3b s PRO 43 Ca 0.30 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.73 3f3b s PRO 43 Cb -0.10 -2.86 -0.33 0.00 0.02 0.00 0.00 34.50 31.24 3f3b s PRO 43 CO 0.23 -0.63 1.06 -0.44 -0.33 0.00 0.00 177.00 176.88 3f3b h ASP 44 N 2.76 0.68 -4.26 2.53 3.32 -1.47 -3.45 116.42 116.54 3f3b h ASP 44 Ca -0.51 -0.73 -0.57 0.00 0.02 0.00 0.00 57.03 55.24 3f3b h ASP 44 Cb 1.25 -0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.33 3f3b h ASP 44 CO 0.63 1.57 -0.84 -1.61 -1.72 0.00 0.00 179.24 177.27 3f3b s GLU 45 N -2.64 1.31 0.04 3.56 2.02 -1.04 -5.02 118.70 116.94 3f3b s GLU 45 Ca -0.07 -0.98 0.06 0.00 0.02 0.00 0.00 54.97 53.99 3f3b s GLU 45 Cb 0.05 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 3f3b s GLU 45 CO 0.92 0.36 -0.16 -1.14 0.02 0.00 0.00 175.26 175.27 3f3b s GLN 46 N -1.34 1.07 -1.47 1.61 0.74 -1.26 -2.13 119.66 116.88 3f3b s GLN 46 Ca 0.07 -0.81 -0.00 0.00 0.05 0.00 0.00 55.36 54.67 3f3b s GLN 46 Cb -0.09 -1.11 0.00 0.00 1.10 0.00 0.00 33.01 32.91 3f3b s GLN 46 CO 0.02 0.28 0.24 -3.47 -0.55 0.00 0.00 175.29 171.81 3f3b n ASP 47 N 1.88 0.24 -4.73 6.67 2.03 -1.15 -4.90 116.55 116.59 3f3b n ASP 47 Ca -0.18 -1.12 -0.41 0.00 0.52 0.00 0.00 54.79 53.60 3f3b n ASP 47 Cb 0.54 -2.43 -0.05 0.00 -0.72 0.00 0.00 41.12 38.46 3f3b n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3f3b s VAL 48 N -4.14 4.54 0.23 5.18 1.01 -0.09 -4.77 120.40 122.35 3f3b s VAL 48 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.67 3f3b s VAL 48 Cb -0.00 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3f3b s VAL 48 CO 0.94 0.33 0.97 -2.16 0.00 0.00 0.00 175.10 175.17 3f3b s PRO 49 N -0.04 4.81 0.27 2.72 0.04 -1.26 -2.04 135.00 139.50 3f3b s PRO 49 Ca 0.45 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 3f3b s PRO 49 Cb -0.23 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.07 3f3b s PRO 49 CO 0.29 0.43 0.80 0.00 0.04 0.00 0.00 177.00 178.56 3f3b s TYR 51 N -3.34 -0.14 0.22 0.00 -0.85 -1.01 0.79 117.35 113.02 3f3b s TYR 51 Ca 0.13 0.17 0.09 0.00 -0.52 0.00 0.00 57.07 56.94 3f3b s TYR 51 Cb -0.05 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 3f3b s TYR 51 CO 0.07 -0.40 -0.06 -0.06 -1.52 0.00 0.00 175.55 173.58 3f3b s PHE 52 N -1.55 2.65 0.32 -3.49 0.08 -1.26 -1.32 117.98 113.41 3f3b s PHE 52 Ca -0.12 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.76 3f3b s PHE 52 Cb -0.05 -1.24 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3f3b s PHE 52 CO 0.03 0.57 0.32 0.25 -0.10 0.00 0.00 175.22 176.29 3f3b n THR 53 N -0.39 0.00 -4.39 0.64 -2.24 -0.92 -4.90 114.28 102.09 3f3b n THR 53 Ca -0.09 -2.13 -0.39 0.00 -2.27 0.00 0.00 64.05 59.17 3f3b n THR 53 Cb 0.57 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 3f3b n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3f3b n GLU 54 N -0.58 -1.91 -2.23 -0.78 1.02 -1.26 -1.48 120.64 113.41 3f3b n GLU 54 Ca 0.06 0.25 -0.40 0.00 -0.02 0.00 0.00 57.16 57.04 3f3b n GLU 54 Cb 0.57 -4.88 -0.03 0.00 -0.02 0.00 0.00 31.44 27.08 3f3b n GLU 54 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3f3b s LYS 55 N -7.10 4.40 -0.02 3.49 1.02 -1.26 -4.29 119.74 115.99 3f3b s LYS 55 Ca 0.77 2.06 0.04 0.00 0.02 0.00 0.00 55.97 58.86 3f3b s LYS 55 Cb -0.44 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 33.81 3f3b s LYS 55 CO 0.98 -0.09 -0.14 0.99 -0.92 0.00 0.00 175.35 176.17 3f3b s THR 56 N -1.18 1.11 0.37 2.17 2.01 -0.18 -5.00 115.64 114.95 3f3b s THR 56 Ca 0.49 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.99 3f3b s THR 56 Cb -0.37 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.14 3f3b s THR 56 CO 0.48 0.32 0.05 -1.10 -0.69 0.00 0.00 174.62 173.68 3f3b s GLN 57 N -0.16 2.08 -0.06 4.92 -0.21 -1.26 0.69 119.66 125.67 3f3b s GLN 57 Ca 0.02 -1.84 -0.24 0.00 0.02 0.00 0.00 55.36 53.32 3f3b s GLN 57 Cb -0.07 -1.88 0.05 0.00 1.00 0.00 0.00 33.01 32.11 3f3b s GLN 57 CO 0.00 0.04 0.54 1.14 -2.12 0.00 0.00 175.29 174.89 3f3b s GLN 58 N -3.76 0.87 -0.22 2.91 -2.07 0.14 -4.64 119.66 112.90 3f3b s GLN 58 Ca 0.36 0.17 -0.21 0.00 -1.82 0.00 0.00 55.36 53.87 3f3b s GLN 58 Cb 0.03 0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 3f3b s GLN 58 CO 0.20 -0.25 0.64 -1.17 -1.32 0.00 0.00 175.29 173.39 3f3b s LEU 59 N -1.04 4.12 0.00 2.60 2.96 -1.26 -1.70 118.68 124.35 3f3b s LEU 59 Ca -0.10 0.81 0.12 0.00 -0.22 0.00 0.00 54.13 54.73 3f3b s LEU 59 Cb -0.02 -2.90 0.08 0.00 0.50 0.00 0.00 46.19 43.85 3f3b s LEU 59 CO 0.07 -0.32 0.86 2.30 -1.32 0.00 0.00 176.35 177.94 3f3b n ILE 60 N 4.87 0.00 -3.49 6.68 -5.35 0.59 -5.00 119.36 117.67 3f3b n ILE 60 Ca -0.01 -0.48 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 3f3b n ILE 60 Cb 0.49 1.24 -0.04 0.00 -1.74 0.00 0.00 39.64 39.59 3f3b n ILE 60 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3f3b s GLN 61 N -1.06 1.05 0.13 6.28 0.74 -1.23 -4.95 119.66 120.62 3f3b s GLN 61 Ca 0.13 -0.04 0.04 0.00 0.05 0.00 0.00 55.36 55.54 3f3b s GLN 61 Cb 0.10 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.66 3f3b s GLN 61 CO 0.17 -0.39 -0.10 -1.21 -0.55 0.00 0.00 175.29 173.21 3f3b s GLU 62 N -2.19 0.99 -0.85 1.67 2.02 -1.26 -1.40 118.70 117.68 3f3b s GLU 62 Ca -0.05 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.55 3f3b s GLU 62 Cb -0.00 -0.58 0.00 0.00 0.10 0.00 0.00 34.13 33.65 3f3b s GLU 62 CO -0.00 0.07 0.62 0.39 0.02 0.00 0.00 175.26 176.35 3f3b n GLU 63 N -0.01 -1.45 -2.23 1.61 1.02 -1.26 -4.54 120.64 113.79 3f3b n GLU 63 Ca -0.12 0.76 -0.27 0.00 -0.02 0.00 0.00 57.16 57.51 3f3b n GLU 63 Cb 0.60 -2.54 0.04 0.00 -0.02 0.00 0.00 31.44 29.53 3f3b n GLU 63 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3f3b s PRO 64 N -4.99 2.71 0.54 3.49 0.04 -1.26 -5.15 135.00 130.38 3f3b s PRO 64 Ca 0.04 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 60.95 3f3b s PRO 64 Cb -0.02 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3f3b s PRO 64 CO 0.89 -0.92 1.04 -0.51 0.04 0.00 0.00 177.00 177.54 3f3b s ASP 65 N -4.37 6.15 -0.11 6.66 -0.00 -1.26 -4.78 116.67 118.95 3f3b s ASP 65 Ca 0.56 1.82 -0.05 0.00 -0.00 0.00 0.00 52.55 54.88 3f3b s ASP 65 Cb -0.11 -2.54 0.06 0.00 -0.00 0.00 0.00 42.92 40.33 3f3b s ASP 65 CO 0.47 -0.92 0.24 -1.10 -0.00 0.00 0.00 175.17 173.86 3f3b s GLN 66 N -3.74 0.15 -0.06 8.23 -0.21 -0.49 -4.88 119.66 118.65 3f3b s GLN 66 Ca 0.64 0.64 0.03 0.00 0.02 0.00 0.00 55.36 56.70 3f3b s GLN 66 Cb -0.15 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.77 3f3b s GLN 66 CO 0.29 -0.24 -0.17 0.99 -2.12 0.00 0.00 175.29 174.04 3f3b s THR 67 N 1.98 1.47 0.32 -0.19 2.01 -1.26 -0.30 115.64 119.68 3f3b s THR 67 Ca -0.02 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.31 3f3b s THR 67 Cb -0.11 -1.29 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 3f3b s THR 67 CO -0.08 0.43 0.08 0.68 -0.69 0.00 0.00 174.62 175.03 3f3b s VAL 68 N 0.34 0.95 -0.01 3.82 -7.23 -0.69 -4.93 120.40 112.66 3f3b s VAL 68 Ca -0.11 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.76 3f3b s VAL 68 Cb -0.15 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 3f3b s VAL 68 CO 0.04 0.00 0.96 -0.31 -0.31 0.00 0.00 175.10 175.48 3f3b s TYR 69 N -3.40 3.65 -0.09 2.82 2.02 -1.26 -0.68 117.35 120.41 3f3b s TYR 69 Ca 0.35 1.66 -0.06 0.00 -0.37 0.00 0.00 57.07 58.65 3f3b s TYR 69 Cb 0.08 -3.10 -0.27 0.00 -0.40 0.00 0.00 41.96 38.27 3f3b s TYR 69 CO 0.15 -0.01 0.49 1.25 -1.57 0.00 0.00 175.55 175.86 3f3b h HIS 70 N 6.81 0.51 -2.24 2.71 -0.00 0.00 -3.42 115.15 119.51 3f3b h HIS 70 Ca -0.41 -0.37 0.18 0.00 -0.00 0.00 0.00 60.37 59.77 3f3b h HIS 70 Cb 1.22 -0.02 -0.10 0.00 -0.00 0.00 0.00 27.41 28.51 3f3b h HIS 70 CO 0.68 1.69 0.52 -1.54 -0.00 0.00 0.00 177.93 179.28 3f3b s SER 71 N -7.04 -0.21 -0.07 3.26 1.04 -1.18 -0.22 113.70 109.28 3f3b s SER 71 Ca -0.19 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 3f3b s SER 71 Cb 0.06 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.73 3f3b s SER 71 CO 0.80 -0.79 0.93 0.72 0.98 0.00 0.00 173.24 175.88 3f3b s PHE 72 N -3.17 -0.36 -0.36 5.02 -0.71 -0.91 -1.01 117.98 116.48 3f3b s PHE 72 Ca 0.11 0.39 -0.23 0.00 -1.04 0.00 0.00 56.93 56.15 3f3b s PHE 72 Cb -0.01 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.31 3f3b s PHE 72 CO -0.01 -0.46 0.79 -1.17 -1.34 0.00 0.00 175.22 173.03 3f3b s LEU 73 N -1.94 4.12 0.03 -1.99 2.96 -0.55 -0.79 118.68 120.52 3f3b s LEU 73 Ca 0.02 0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 54.13 3f3b s LEU 73 Cb -0.01 -3.04 -0.06 0.00 0.50 0.00 0.00 46.19 43.59 3f3b s LEU 73 CO -0.04 -0.72 0.57 -0.69 -1.32 0.00 0.00 176.35 174.14 3f3b s VAL 74 N 3.09 4.83 -0.20 1.68 1.01 0.13 -2.16 120.40 128.77 3f3b s VAL 74 Ca 0.32 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 3f3b s VAL 74 Cb -0.13 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 3f3b s VAL 74 CO 0.16 0.50 -0.08 -1.00 0.00 0.00 0.00 175.10 174.68 3f3b s HIS 75 N -0.70 2.91 0.23 5.22 0.09 -0.43 -1.71 115.29 120.90 3f3b s HIS 75 Ca 0.29 -1.01 0.11 0.00 -0.00 0.00 0.00 55.06 54.46 3f3b s HIS 75 Cb -0.19 -2.04 -0.05 0.00 -0.00 0.00 0.00 32.58 30.30 3f3b s HIS 75 CO 0.18 -0.54 -0.19 -0.06 -0.00 0.00 0.00 174.74 174.12 3f3b s PHE 76 N 1.30 2.36 0.56 1.40 0.08 -0.03 -2.41 117.98 121.23 3f3b s PHE 76 Ca 0.04 -0.32 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 3f3b s PHE 76 Cb -0.14 -1.09 -0.05 0.00 -0.57 0.00 0.00 43.02 41.16 3f3b s PHE 76 CO -0.04 0.60 1.17 -2.14 -0.10 0.00 0.00 175.22 174.72 3f3b s PRO 77 N -3.12 3.21 0.45 0.24 0.02 -1.26 -0.79 135.00 133.75 3f3b s PRO 77 Ca 0.26 1.73 0.13 0.00 0.02 0.00 0.00 61.00 63.14 3f3b s PRO 77 Cb -0.07 -2.01 1.00 0.00 0.02 0.00 0.00 34.50 33.45 3f3b s PRO 77 CO 0.13 -0.99 2.02 1.25 -0.33 0.00 0.00 177.00 179.08 3f3b h LEU 78 N 1.13 0.09 -1.01 -5.54 5.85 -1.91 -1.86 115.31 112.05 3f3b h LEU 78 Ca -0.50 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3f3b h LEU 78 Cb 1.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3f3b h LEU 78 CO 0.56 0.20 0.00 0.77 -0.34 0.00 0.00 178.44 179.63 3f3b h SER 79 N 0.09 0.00 -3.95 1.25 4.64 -1.91 -3.44 113.55 110.23 3f3b h SER 79 Ca 0.02 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.85 3f3b h SER 79 Cb 0.23 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3f3b h SER 79 CO 0.01 0.00 0.45 0.00 -0.87 0.00 0.00 176.83 176.42 3f3b s ALA 80 N -3.43 3.12 -0.71 5.18 0.00 -0.70 -4.99 121.76 120.22 3f3b s ALA 80 Ca 0.02 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 3f3b s ALA 80 Cb 0.09 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.99 3f3b s ALA 80 CO 0.38 -0.33 0.96 0.34 0.00 0.00 0.00 175.76 177.11 3f3b s ASP 81 N -1.38 6.29 -0.16 0.00 -1.08 -1.26 -4.98 116.67 114.09 3f3b s ASP 81 Ca 0.57 -1.33 -0.04 0.00 -0.52 0.00 0.00 52.55 51.23 3f3b s ASP 81 Cb -0.26 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 3f3b s ASP 81 CO 0.32 -1.29 -0.03 -0.63 0.52 0.00 0.00 175.17 174.06 3f3b s ILE 82 N 3.48 3.95 0.03 4.11 -1.09 -1.26 -5.06 121.20 125.36 3f3b s ILE 82 Ca 0.23 -0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 3f3b s ILE 82 Cb -0.15 -2.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.97 3f3b s ILE 82 CO 0.05 0.48 -0.09 -0.13 -1.23 0.00 0.00 174.94 174.02 3f3b s ARG 83 N 0.46 0.63 0.54 2.79 0.52 -1.26 -5.10 118.95 117.53 3f3b s ARG 83 Ca -0.03 -0.58 -0.20 0.00 -0.52 0.00 0.00 55.73 54.41 3f3b s ARG 83 Cb -0.14 -0.54 -0.06 0.00 0.52 0.00 0.00 34.95 34.73 3f3b s ARG 83 CO 0.03 0.13 1.13 0.08 0.02 0.00 0.00 175.30 176.69 3f3b s VAL 84 N -0.81 3.15 0.00 3.52 1.01 -1.26 -2.19 120.40 123.82 3f3b s VAL 84 Ca -0.02 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3f3b s VAL 84 Cb -0.07 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3f3b s VAL 84 CO 0.00 -0.15 0.00 0.59 0.00 0.00 0.00 175.10 175.55 3f3b n ASN 85 N -1.27 -3.02 -4.77 3.32 3.02 0.10 -4.87 115.26 107.78 3f3b n ASN 85 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 3f3b n ASN 85 Cb 0.51 -0.71 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 3f3b n ASN 85 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3f3b s ASP 86 N -2.07 5.54 -0.20 6.41 1.01 -0.93 -4.44 116.67 122.00 3f3b s ASP 86 Ca 0.00 2.22 -0.05 0.00 0.71 0.00 0.00 52.55 55.43 3f3b s ASP 86 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3f3b s ASP 86 CO 0.00 -1.34 -0.00 -0.75 0.21 0.00 0.00 175.17 173.28 3f3b s LYS 87 N -3.35 3.60 -0.02 8.23 2.20 0.44 -1.61 119.74 129.23 3f3b s LYS 87 Ca 0.73 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.87 3f3b s LYS 87 Cb -0.25 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3f3b s LYS 87 CO 0.29 0.01 -0.18 0.96 -0.36 0.00 0.00 175.35 176.07 3f3b s ILE 88 N 1.01 2.76 -0.26 5.43 -4.36 0.49 -0.01 121.20 126.26 3f3b s ILE 88 Ca 0.02 -0.93 -0.04 0.00 -0.26 0.00 0.00 60.65 59.44 3f3b s ILE 88 Cb -0.14 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.50 3f3b s ILE 88 CO 0.02 0.53 0.01 -0.63 0.24 0.00 0.00 174.94 175.10 3f3b s ILE 89 N -0.75 3.47 -0.13 8.37 -1.09 0.59 -1.04 121.20 130.62 3f3b s ILE 89 Ca 0.12 -0.77 -0.00 0.00 -2.23 0.00 0.00 60.65 57.77 3f3b s ILE 89 Cb -0.10 -2.74 0.03 0.00 -1.58 0.00 0.00 42.46 38.06 3f3b s ILE 89 CO 0.01 0.19 -0.10 0.86 -1.23 0.00 0.00 174.94 174.68 3f3b s TRP 90 N 1.43 1.75 -1.38 3.97 -0.00 -0.75 -1.64 118.94 122.32 3f3b s TRP 90 Ca 0.02 -0.95 -0.03 0.00 -0.00 0.00 0.00 56.10 55.14 3f3b s TRP 90 Cb -0.16 -1.37 0.02 0.00 -0.00 0.00 0.00 33.47 31.96 3f3b s TRP 90 CO -0.01 -0.58 0.66 0.39 -0.00 0.00 0.00 176.95 177.41 3f3b n GLU 91 N 4.88 -4.45 -0.99 5.86 1.02 -1.26 -1.82 120.64 123.86 3f3b n GLU 91 Ca -0.14 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3f3b n GLU 91 Cb 0.50 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.89 3f3b n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3f3b n ASN 92 N -2.99 -4.43 -4.49 1.62 3.02 -1.26 -5.01 115.26 101.72 3f3b n ASN 92 Ca -0.24 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.01 3f3b n ASN 92 Cb 0.65 -2.02 -0.12 0.00 -0.61 0.00 0.00 39.78 37.69 3f3b n ASN 92 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3f3b s HIS 93 N -1.51 2.56 0.02 3.10 3.76 -0.76 -5.12 115.29 117.35 3f3b s HIS 93 Ca 0.00 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.49 3f3b s HIS 93 Cb 0.00 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.24 3f3b s HIS 93 CO 0.00 0.35 0.48 0.15 -0.85 0.00 0.00 174.74 174.86 3f3b s LYS 94 N -1.91 4.06 0.02 1.40 1.02 -1.26 -1.81 119.74 121.25 3f3b s LYS 94 Ca 0.17 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.71 3f3b s LYS 94 Cb -0.11 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 3f3b s LYS 94 CO 0.09 0.63 -0.03 0.71 -0.92 0.00 0.00 175.35 175.83 3f3b s TYR 95 N -0.97 0.24 -0.06 3.18 2.02 -0.21 -1.48 117.35 120.07 3f3b s TYR 95 Ca 0.26 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 3f3b s TYR 95 Cb -0.18 -0.16 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 3f3b s TYR 95 CO 0.15 -0.12 -0.22 0.42 -1.57 0.00 0.00 175.55 174.21 3f3b s ILE 96 N -1.00 2.30 -0.29 2.71 -1.09 -0.40 -0.38 121.20 123.04 3f3b s ILE 96 Ca -0.10 -0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 57.04 3f3b s ILE 96 Cb -0.07 -1.85 0.01 0.00 -1.58 0.00 0.00 42.46 38.96 3f3b s ILE 96 CO -0.01 0.57 1.18 -0.76 -1.23 0.00 0.00 174.94 174.70 3f3b s LEU 97 N -0.26 3.94 0.00 2.97 1.43 -0.64 -0.60 118.68 125.52 3f3b s LEU 97 Ca -0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3f3b s LEU 97 Cb -0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3f3b s LEU 97 CO 0.03 -0.95 0.00 0.29 0.23 0.00 0.00 176.35 175.95 3f3b n LYS 98 N 7.02 0.00 -0.72 1.70 4.76 -0.42 -0.72 118.16 129.77 3f3b n LYS 98 Ca 0.13 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.25 3f3b n LYS 98 Cb 0.47 -0.03 0.15 0.00 -1.84 0.00 0.00 35.03 33.78 3f3b n LYS 98 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3f3b n LEU 99 N -0.54 -0.96 -4.66 -0.35 7.99 -1.26 -4.74 117.00 112.48 3f3b n LEU 99 Ca 0.00 0.12 -0.35 0.00 -0.01 0.00 0.00 56.01 55.78 3f3b n LEU 99 Cb 0.00 -1.12 0.11 0.00 -0.11 0.00 0.00 43.42 42.29 3f3b n LEU 99 CO 0.00 -3.32 0.68 -2.65 -1.51 0.00 0.00 177.39 170.58 3f3b n PRO 100 N -2.19 0.39 -2.90 3.23 -0.02 -1.26 -4.50 135.00 127.75 3f3b n PRO 100 Ca 0.04 0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 3f3b n PRO 100 Cb 0.57 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3f3b n PRO 100 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3f3b s LYS 101 N -3.75 2.71 0.10 -0.52 -2.85 -1.26 -4.60 119.74 109.56 3f3b s LYS 101 Ca 0.74 -1.13 -0.26 0.00 -1.00 0.00 0.00 55.97 54.32 3f3b s LYS 101 Cb -0.32 -2.67 0.08 0.00 -2.06 0.00 0.00 37.83 32.86 3f3b s LYS 101 CO 0.50 -0.44 0.89 -0.98 0.10 0.00 0.00 175.35 175.42 3f3b s ARG 102 N -4.49 1.08 -0.21 1.78 1.70 -0.16 -4.95 118.95 113.70 3f3b s ARG 102 Ca 0.56 -0.52 -0.09 0.00 -0.47 0.00 0.00 55.73 55.21 3f3b s ARG 102 Cb -0.10 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 3f3b s ARG 102 CO 0.35 -0.49 0.12 0.42 -1.08 0.00 0.00 175.30 174.63 3f3b s ILE 103 N -3.29 5.18 -0.20 4.99 1.01 -1.26 0.42 121.20 128.05 3f3b s ILE 103 Ca 0.08 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 3f3b s ILE 103 Cb -0.01 -3.38 0.06 0.00 0.01 0.00 0.00 42.46 39.14 3f3b s ILE 103 CO -0.03 0.40 0.50 -0.60 0.00 0.00 0.00 174.94 175.21 3f3b s ARG 104 N 0.71 0.50 -1.45 2.79 3.52 -0.90 -4.91 118.95 119.21 3f3b s ARG 104 Ca 0.06 0.92 -0.07 0.00 -0.13 0.00 0.00 55.73 56.51 3f3b s ARG 104 Cb -0.13 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.31 3f3b s ARG 104 CO 0.01 -0.15 0.94 0.72 -0.81 0.00 0.00 175.30 176.01 3f3b n HIS 105 N 4.23 -2.49 -1.95 5.12 8.25 -1.26 -1.93 115.22 125.20 3f3b n HIS 105 Ca -0.22 0.81 -0.19 0.00 -0.26 0.00 0.00 57.72 57.86 3f3b n HIS 105 Cb 0.56 -4.79 -0.04 0.00 1.12 0.00 0.00 29.99 26.84 3f3b n HIS 105 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 3f3b n HIS 106 N -4.80 -0.44 -4.26 4.41 -0.00 -1.26 -4.98 115.22 103.89 3f3b n HIS 106 Ca -0.04 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.97 3f3b n HIS 106 Cb 0.58 -3.42 -0.11 0.00 -0.12 0.00 0.00 29.99 26.93 3f3b n HIS 106 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 3f3b s HIS 107 N -2.81 1.38 -0.08 1.57 3.76 -0.81 -3.70 115.29 114.59 3f3b s HIS 107 Ca 0.00 -0.63 -0.22 0.00 -0.15 0.00 0.00 55.06 54.06 3f3b s HIS 107 Cb 0.00 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 3f3b s HIS 107 CO 0.00 0.15 0.65 -1.58 -0.85 0.00 0.00 174.74 173.11 3f3b s TRP 108 N -2.64 3.56 -0.09 1.40 0.52 0.03 -2.12 118.94 119.60 3f3b s TRP 108 Ca 0.13 1.16 0.03 0.00 0.02 0.00 0.00 56.10 57.44 3f3b s TRP 108 Cb -0.02 -2.75 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 3f3b s TRP 108 CO 0.03 0.11 -0.17 -1.21 0.02 0.00 0.00 176.95 175.72 3f3b s GLU 109 N 0.76 2.93 -0.17 4.98 2.02 0.17 -0.85 118.70 128.54 3f3b s GLU 109 Ca 0.35 -0.76 -0.28 0.00 0.02 0.00 0.00 54.97 54.30 3f3b s GLU 109 Cb -0.17 -2.42 0.08 0.00 0.10 0.00 0.00 34.13 31.71 3f3b s GLU 109 CO 0.16 0.35 0.73 0.54 0.02 0.00 0.00 175.26 177.07 3f3b s VAL 110 N -0.05 0.00 0.05 2.63 0.11 -0.70 -0.98 120.40 121.46 3f3b s VAL 110 Ca -0.04 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 3f3b s VAL 110 Cb -0.14 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 3f3b s VAL 110 CO 0.04 0.00 0.85 -0.69 -3.33 0.00 0.00 175.10 171.97 3f3b s VAL 111 N -0.38 4.71 -0.06 2.04 1.01 -1.26 0.18 120.40 126.65 3f3b s VAL 111 Ca -0.05 1.81 0.01 0.00 0.00 0.00 0.00 61.98 63.75 3f3b s VAL 111 Cb -0.03 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3f3b s VAL 111 CO 0.05 0.31 -0.07 0.00 0.00 0.00 0.00 175.10 175.39 3f3b s ALA 112 N 0.20 2.99 -0.03 5.51 0.00 0.03 -1.31 121.76 129.16 3f3b s ALA 112 Ca 0.43 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.52 3f3b s ALA 112 Cb -0.21 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 3f3b s ALA 112 CO 0.25 0.58 -0.12 0.08 0.00 0.00 0.00 175.76 176.55 3f3b s VAL 113 N -0.84 1.03 -0.42 0.00 1.01 0.23 -2.14 120.40 119.28 3f3b s VAL 113 Ca 0.13 -0.51 -0.44 0.00 0.00 0.00 0.00 61.98 61.17 3f3b s VAL 113 Cb -0.11 -0.89 -0.18 0.00 0.00 0.00 0.00 36.38 35.20 3f3b s VAL 113 CO 0.02 0.30 1.76 -1.14 0.00 0.00 0.00 175.10 176.05 3f3b n ARG 114 N 3.13 0.45 -0.05 2.72 0.63 0.69 -1.28 116.66 122.95 3f3b n ARG 114 Ca -0.17 0.16 -0.14 0.00 -0.92 0.00 0.00 57.85 56.77 3f3b n ARG 114 Cb 0.54 -1.76 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 3f3b n ARG 114 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3f3b h ASP 115 N 6.77 -1.71 0.00 6.15 1.82 -1.59 -2.13 116.42 125.74 3f3b h ASP 115 Ca -0.39 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 3f3b h ASP 115 Cb 1.36 0.68 0.00 0.00 0.68 0.00 0.00 39.33 42.05 3f3b h ASP 115 CO 0.99 -0.45 0.00 -0.62 -1.61 0.00 0.00 179.24 177.55 3f3b n GLU 116 N -5.42 0.43 -0.02 0.28 1.02 -1.26 -1.73 120.64 113.94 3f3b n GLU 116 Ca -0.05 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.17 3f3b n GLU 116 Cb 0.37 -1.01 0.07 0.00 -0.02 0.00 0.00 31.44 30.85 3f3b n GLU 116 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3f3b n SER 117 N -0.45 2.30 -0.09 1.62 3.41 -0.80 -5.27 113.62 114.33 3f3b n SER 117 Ca 0.00 -1.64 0.16 0.00 -0.26 0.00 0.00 58.87 57.12 3f3b n SER 117 Cb 0.01 -0.03 0.87 0.00 -0.26 0.00 0.00 64.21 64.80 3f3b n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06