#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfz s TYR 2 N 0.00 2.71 -0.06 2.03 6.04 -1.26 -5.08 117.35 121.73 3dfz s TYR 2 Ca 0.00 -0.16 -0.18 0.00 0.04 0.00 0.00 57.07 56.77 3dfz s TYR 2 Cb 0.00 -1.48 -0.05 0.00 -1.04 0.00 0.00 41.96 39.39 3dfz s TYR 2 CO 0.00 0.36 0.50 0.99 -1.54 0.00 0.00 175.55 175.86 3dfz s THR 3 N -1.07 5.08 0.06 4.34 2.01 -1.26 -5.06 115.64 119.73 3dfz s THR 3 Ca 0.18 1.02 -0.11 0.00 0.31 0.00 0.00 61.69 63.09 3dfz s THR 3 Cb -0.11 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.58 3dfz s THR 3 CO 0.10 0.40 0.23 0.68 -0.69 0.00 0.00 174.62 175.34 3dfz s VAL 4 N 0.08 0.11 -0.24 3.82 -7.23 -1.26 -5.13 120.40 110.55 3dfz s VAL 4 Ca 0.27 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 3dfz s VAL 4 Cb -0.16 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 3dfz s VAL 4 CO 0.13 -0.50 0.34 -0.04 -0.31 0.00 0.00 175.10 174.72 3dfz s MET 5 N -2.99 4.08 -0.24 4.82 -1.94 -1.26 -5.07 119.30 116.71 3dfz s MET 5 Ca -0.02 0.04 -0.16 0.00 -1.71 0.00 0.00 55.69 53.85 3dfz s MET 5 Cb 0.01 -3.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 3dfz s MET 5 CO -0.06 -0.13 0.40 -1.17 -0.01 0.00 0.00 175.02 174.04 3dfz s LEU 6 N 1.62 4.09 -0.59 -0.03 2.96 -1.26 -5.04 118.68 120.44 3dfz s LEU 6 Ca 0.15 0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 54.25 3dfz s LEU 6 Cb -0.15 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.11 3dfz s LEU 6 CO 0.08 -0.14 0.88 -0.62 -1.32 0.00 0.00 176.35 175.23 3dfz s ASP 7 N 1.34 6.24 0.00 3.68 2.15 -1.26 -4.91 116.67 123.91 3dfz s ASP 7 Ca 0.17 -0.78 0.28 0.00 0.43 0.00 0.00 52.55 52.65 3dfz s ASP 7 Cb -0.15 -2.39 0.96 0.00 -0.30 0.00 0.00 42.92 41.03 3dfz s ASP 7 CO 0.09 -1.25 1.69 0.18 -0.17 0.00 0.00 175.17 175.71 3dfz n LEU 8 N 7.25 1.39 -4.65 -1.34 4.77 -1.26 -4.90 117.00 118.26 3dfz n LEU 8 Ca -0.03 -0.44 -0.53 0.00 -0.03 0.00 0.00 56.01 54.98 3dfz n LEU 8 Cb 0.46 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3dfz n LEU 8 CO 0.62 0.24 1.47 1.17 -1.33 0.00 0.00 177.39 179.56 3dfz n LYS 9 N -0.03 1.46 -1.75 3.23 4.81 -0.98 -1.47 118.16 123.43 3dfz n LYS 9 Ca 0.17 0.52 -0.12 0.00 -0.87 0.00 0.00 58.31 58.00 3dfz n LYS 9 Cb 0.36 -2.34 -0.03 0.00 0.02 0.00 0.00 35.03 33.03 3dfz n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dfz n GLY 10 N 4.73 0.68 3.53 3.14 0.00 0.26 -4.90 105.19 112.63 3dfz n GLY 10 Ca 0.28 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3dfz n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfz s ARG 11 N -3.75 2.21 0.15 1.61 1.81 -0.54 -4.91 118.95 115.53 3dfz s ARG 11 Ca 0.00 -0.93 -0.30 0.00 -1.72 0.00 0.00 55.73 52.78 3dfz s ARG 11 Cb 0.00 -2.31 -0.07 0.00 -0.45 0.00 0.00 34.95 32.12 3dfz s ARG 11 CO 0.00 0.54 1.19 -1.54 -0.68 0.00 0.00 175.30 174.81 3dfz s SER 12 N -1.70 7.11 -0.12 0.23 1.04 -1.26 -1.53 113.70 117.47 3dfz s SER 12 Ca 0.17 2.15 0.00 0.00 0.48 0.00 0.00 55.95 58.76 3dfz s SER 12 Cb -0.11 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.44 3dfz s SER 12 CO 0.09 -0.38 -0.12 -0.69 0.98 0.00 0.00 173.24 173.12 3dfz s VAL 13 N 0.26 1.32 -0.26 5.02 1.01 -0.36 -2.48 120.40 124.91 3dfz s VAL 13 Ca 0.54 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 3dfz s VAL 13 Cb -0.31 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3dfz s VAL 13 CO 0.34 0.41 0.12 -0.22 0.00 0.00 0.00 175.10 175.76 3dfz s LEU 14 N 1.45 3.70 -0.38 3.92 2.96 -0.24 -0.57 118.68 129.53 3dfz s LEU 14 Ca 0.02 -0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 3dfz s LEU 14 Cb -0.13 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.57 3dfz s LEU 14 CO -0.08 -0.04 0.24 -0.69 -1.32 0.00 0.00 176.35 174.46 3dfz s VAL 15 N 1.67 4.86 -0.33 1.68 1.01 -0.23 -0.57 120.40 128.49 3dfz s VAL 15 Ca 0.07 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 3dfz s VAL 15 Cb -0.15 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 3dfz s VAL 15 CO 0.07 -0.21 0.71 -0.69 0.00 0.00 0.00 175.10 174.97 3dfz s VAL 16 N 1.61 4.85 0.00 2.92 1.01 0.29 -0.52 120.40 130.56 3dfz s VAL 16 Ca 0.04 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3dfz s VAL 16 Cb -0.19 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3dfz s VAL 16 CO 0.08 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3dfz n GLY 17 N 4.43 2.96 1.19 4.51 0.00 -0.32 0.14 105.19 118.10 3dfz n GLY 17 Ca 0.01 -1.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 3dfz n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfz n GLY 18 N -0.19 0.77 0.00 -0.02 0.00 -1.26 -4.50 105.19 99.99 3dfz n GLY 18 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3dfz n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfz n GLY 19 N 0.25 1.32 0.11 -0.02 0.00 -1.26 -1.98 105.19 103.61 3dfz n GLY 19 Ca -0.08 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 3dfz n GLY 19 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dfz h THR 20 N 0.00 1.44 -0.47 2.61 2.02 -1.99 -3.03 112.91 113.48 3dfz h THR 20 Ca 0.00 -2.51 -0.03 0.00 0.77 0.00 0.00 66.41 64.64 3dfz h THR 20 Cb 0.00 3.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 3dfz h THR 20 CO 0.00 0.71 0.16 0.40 0.37 0.00 0.00 175.52 177.16 3dfz h ILE 21 N -0.39 1.22 -0.58 3.11 2.04 -1.96 -1.89 117.51 119.05 3dfz h ILE 21 Ca -0.17 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3dfz h ILE 21 Cb 1.64 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3dfz h ILE 21 CO 0.13 0.26 0.34 0.00 0.00 0.00 0.00 178.15 178.89 3dfz h ALA 22 N 1.01 0.75 -0.14 1.87 0.00 -1.70 -1.55 119.26 119.51 3dfz h ALA 22 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dfz h ALA 22 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dfz h ALA 22 CO -0.01 0.24 0.08 1.15 0.00 0.00 0.00 179.25 180.70 3dfz h THR 23 N 0.79 1.01 -0.41 0.00 2.02 -1.46 -1.25 112.91 113.61 3dfz h THR 23 Ca 0.21 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3dfz h THR 23 Cb -0.00 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3dfz h THR 23 CO -0.04 0.03 0.24 -0.09 0.37 0.00 0.00 175.52 176.03 3dfz h ARG 24 N 0.16 0.56 -0.25 6.66 2.43 -1.23 -1.94 114.38 120.76 3dfz h ARG 24 Ca 0.05 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3dfz h ARG 24 Cb -0.00 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3dfz h ARG 24 CO -0.03 0.42 0.12 0.00 -1.51 0.00 0.00 179.97 178.98 3dfz h ARG 25 N 0.53 0.25 -0.38 0.20 2.47 -1.09 -3.12 114.38 113.25 3dfz h ARG 25 Ca 0.15 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.86 3dfz h ARG 25 Cb 0.01 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 3dfz h ARG 25 CO -0.03 0.17 0.25 0.82 0.56 0.00 0.00 179.97 181.74 3dfz h ILE 26 N 0.26 1.08 -0.98 2.04 2.04 -1.06 -2.03 117.51 118.86 3dfz h ILE 26 Ca 0.10 -0.17 0.29 0.00 1.00 0.00 0.00 64.86 66.08 3dfz h ILE 26 Cb 0.03 0.54 -0.18 0.00 -0.74 0.00 0.00 36.82 36.47 3dfz h ILE 26 CO -0.07 0.09 0.13 0.11 0.00 0.00 0.00 178.15 178.41 3dfz h LYS 27 N 0.50 0.02 -0.51 2.37 1.57 -1.29 -0.05 116.57 119.18 3dfz h LYS 27 Ca 0.14 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3dfz h LYS 27 Cb -0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3dfz h LYS 27 CO -0.04 0.02 0.34 0.78 -0.57 0.00 0.00 179.45 179.97 3dfz h GLY 28 N 0.02 0.57 -0.11 3.86 0.00 -1.35 -3.20 103.07 102.86 3dfz h GLY 28 Ca 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.78 3dfz h GLY 28 CO -0.87 0.15 -0.05 1.97 0.00 0.00 0.00 176.54 177.73 3dfz n PHE 29 N -4.47 0.00 0.13 5.60 1.16 -0.16 -4.78 117.46 114.93 3dfz n PHE 29 Ca 0.07 -0.75 -0.00 0.00 -1.87 0.00 0.00 57.45 54.90 3dfz n PHE 29 Cb 0.23 -0.11 0.27 0.00 -1.61 0.00 0.00 39.48 38.26 3dfz n PHE 29 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 3dfz h LEU 30 N 0.00 0.15 -3.80 5.98 5.85 -1.20 -2.69 115.31 119.60 3dfz h LEU 30 Ca 0.00 -0.06 -0.33 0.00 0.84 0.00 0.00 57.88 58.33 3dfz h LEU 30 Cb 0.93 -0.04 -0.20 0.00 0.37 0.00 0.00 40.66 41.72 3dfz h LEU 30 CO 0.00 0.54 0.42 0.00 -0.34 0.00 0.00 178.44 179.06 3dfz n GLN 31 N -4.05 3.11 0.00 1.25 1.13 -1.26 -4.54 117.38 113.02 3dfz n GLN 31 Ca -0.02 -2.98 0.10 0.00 -1.94 0.00 0.00 57.00 52.17 3dfz n GLN 31 Cb 0.45 -2.19 0.01 0.00 0.11 0.00 0.00 30.24 28.63 3dfz n GLN 31 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3dfz n GLU 32 N -0.52 1.45 -0.91 -1.09 -0.58 -1.01 -4.98 120.64 113.00 3dfz n GLU 32 Ca 0.48 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 3dfz n GLU 32 Cb 1.49 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.93 3dfz n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dfz n GLY 33 N 1.34 0.44 3.90 0.62 0.00 -1.26 -2.31 105.19 107.91 3dfz n GLY 33 Ca 0.09 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 3dfz n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfz s ALA 34 N -2.00 3.14 -0.59 4.61 0.00 -1.23 0.90 121.76 126.58 3dfz s ALA 34 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 3dfz s ALA 34 Cb 0.00 -2.79 0.11 0.00 0.00 0.00 0.00 23.12 20.43 3dfz s ALA 34 CO 0.00 -0.90 0.68 0.00 0.00 0.00 0.00 175.76 175.55 3dfz s ALA 35 N -3.13 3.44 -0.13 0.00 0.00 -0.58 -4.82 121.76 116.54 3dfz s ALA 35 Ca 0.55 -2.27 -0.23 0.00 0.00 0.00 0.00 51.96 50.00 3dfz s ALA 35 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3dfz s ALA 35 CO 0.48 -2.32 0.73 0.42 0.00 0.00 0.00 175.76 175.07 3dfz s ILE 36 N 2.55 4.99 -0.14 0.00 1.01 -1.26 -1.22 121.20 127.13 3dfz s ILE 36 Ca 0.11 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.21 3dfz s ILE 36 Cb -0.25 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.18 3dfz s ILE 36 CO 0.06 0.15 -0.19 -0.89 0.00 0.00 0.00 174.94 174.06 3dfz s THR 37 N 1.50 2.38 -0.21 2.92 2.01 0.27 -0.19 115.64 124.31 3dfz s THR 37 Ca 0.36 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 3dfz s THR 37 Cb -0.17 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 3dfz s THR 37 CO 0.14 0.54 0.01 -0.69 -0.69 0.00 0.00 174.62 173.93 3dfz s VAL 38 N 0.69 3.93 -0.28 3.82 1.01 0.17 -1.07 120.40 128.67 3dfz s VAL 38 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3dfz s VAL 38 Cb -0.16 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.49 3dfz s VAL 38 CO 0.01 0.41 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 3dfz s VAL 39 N 1.21 2.40 -0.15 2.92 1.01 0.33 0.01 120.40 128.12 3dfz s VAL 39 Ca 0.03 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 3dfz s VAL 39 Cb -0.15 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 33.88 3dfz s VAL 39 CO 0.01 -0.11 0.76 0.00 0.00 0.00 0.00 175.10 175.76 3dfz s ALA 40 N 1.12 -1.81 0.49 5.51 0.00 -1.01 -1.17 121.76 124.89 3dfz s ALA 40 Ca -0.06 1.62 0.16 0.00 0.00 0.00 0.00 51.96 53.68 3dfz s ALA 40 Cb -0.20 -0.57 1.18 0.00 0.00 0.00 0.00 23.12 23.53 3dfz s ALA 40 CO -0.04 -0.34 2.06 -1.00 0.00 0.00 0.00 175.76 176.44 3dfz h PRO 41 N 3.68 0.18 -4.59 0.00 0.13 -1.60 -2.82 132.00 126.97 3dfz h PRO 41 Ca -0.27 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.61 3dfz h PRO 41 Cb 1.15 -0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.06 3dfz h PRO 41 CO 0.25 0.12 -0.71 0.99 -0.23 0.00 0.00 178.00 178.41 3dfz s THR 42 N -5.20 0.60 0.04 1.56 2.01 -1.26 -4.36 115.64 109.03 3dfz s THR 42 Ca -0.06 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.44 3dfz s THR 42 Cb 0.18 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3dfz s THR 42 CO 0.71 -0.63 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.28 3dfz s VAL 43 N -2.51 0.26 0.70 3.82 1.01 -1.26 -4.30 120.40 118.13 3dfz s VAL 43 Ca 0.01 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.61 3dfz s VAL 43 Cb -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3dfz s VAL 43 CO -0.02 -0.64 1.07 -0.94 0.00 0.00 0.00 175.10 174.56 3dfz s SER 44 N -2.00 5.45 0.54 3.32 1.04 -0.84 -4.82 113.70 116.41 3dfz s SER 44 Ca -0.07 1.42 0.26 0.00 0.48 0.00 0.00 55.95 58.05 3dfz s SER 44 Cb -0.04 -2.30 1.44 0.00 0.10 0.00 0.00 66.02 65.21 3dfz s SER 44 CO -0.03 -1.37 1.99 0.00 0.98 0.00 0.00 173.24 174.80 3dfz h ALA 45 N -0.67 2.42 0.18 5.32 0.00 -1.97 0.61 119.26 125.15 3dfz h ALA 45 Ca -0.45 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 3dfz h ALA 45 Cb 1.22 0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.07 3dfz h ALA 45 CO 0.60 -0.66 -1.25 1.05 0.00 0.00 0.00 179.25 178.99 3dfz h GLU 46 N 0.00 0.39 -0.56 0.00 9.09 -1.99 -2.11 114.58 119.40 3dfz h GLU 46 Ca 0.24 -0.67 0.04 0.00 0.05 0.00 0.00 59.36 59.02 3dfz h GLU 46 Cb 1.03 0.25 -0.04 0.00 -1.65 0.00 0.00 28.75 28.34 3dfz h GLU 46 CO -0.00 1.32 0.32 0.82 0.05 0.00 0.00 179.01 181.51 3dfz h ILE 47 N -0.13 1.01 -0.55 -1.06 2.04 -1.76 -0.93 117.51 116.13 3dfz h ILE 47 Ca -0.23 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.50 3dfz h ILE 47 Cb 1.90 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 3dfz h ILE 47 CO 0.19 0.11 0.17 0.78 0.00 0.00 0.00 178.15 179.40 3dfz h ASN 48 N 0.62 0.13 -0.71 1.72 2.35 -0.96 0.24 115.58 118.97 3dfz h ASN 48 Ca 0.24 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 56.01 3dfz h ASN 48 Cb 0.09 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3dfz h ASN 48 CO -0.13 0.09 0.20 -0.08 -1.65 0.00 0.00 177.43 175.86 3dfz h GLU 49 N 0.33 1.12 -0.62 0.81 4.57 -1.06 0.81 114.58 120.54 3dfz h GLU 49 Ca 0.27 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 3dfz h GLU 49 Cb 0.34 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 3dfz h GLU 49 CO -0.30 0.97 0.09 -1.49 -1.18 0.00 0.00 179.01 177.09 3dfz h TRP 50 N 1.06 1.10 -0.20 0.92 6.55 -0.71 0.96 115.95 125.63 3dfz h TRP 50 Ca 0.23 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.91 3dfz h TRP 50 Cb 0.33 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.32 3dfz h TRP 50 CO 0.03 0.94 0.13 1.49 -1.05 0.00 0.00 178.44 179.97 3dfz h GLU 51 N 0.93 0.25 0.00 0.49 4.81 -0.29 -1.29 114.58 119.49 3dfz h GLU 51 Ca 0.19 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3dfz h GLU 51 Cb 0.44 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 3dfz h GLU 51 CO 0.01 0.17 -0.13 0.00 -0.73 0.00 0.00 179.01 178.33 3dfz h ALA 52 N 1.07 1.15 -0.00 2.92 0.00 -0.66 -0.61 119.26 123.13 3dfz h ALA 52 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dfz h ALA 52 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dfz h ALA 52 CO -0.02 0.16 -0.18 1.63 0.00 0.00 0.00 179.25 180.84 3dfz n LYS 53 N -3.46 0.69 -2.74 0.00 5.02 0.32 -4.97 118.16 113.01 3dfz n LYS 53 Ca -0.01 -0.32 -0.10 0.00 -2.02 0.00 0.00 58.31 55.87 3dfz n LYS 53 Cb 0.29 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 3dfz n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfz n GLY 54 N 1.32 -0.20 0.00 0.72 0.00 -0.24 -4.96 105.19 101.83 3dfz n GLY 54 Ca 0.13 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.22 3dfz n GLY 54 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dfz n GLN 55 N -2.76 0.97 -3.93 1.61 6.02 -0.57 -5.04 117.38 113.68 3dfz n GLN 55 Ca -0.11 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.76 3dfz n GLN 55 Cb 0.59 -0.98 -0.06 0.00 1.02 0.00 0.00 30.24 30.81 3dfz n GLN 55 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3dfz s LEU 56 N -2.99 0.59 -0.06 1.08 0.05 -1.25 -4.54 118.68 111.56 3dfz s LEU 56 Ca -0.01 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.35 3dfz s LEU 56 Cb 0.01 1.53 -0.03 0.00 -2.05 0.00 0.00 46.19 45.65 3dfz s LEU 56 CO 0.09 -1.00 -0.04 -0.60 -0.55 0.00 0.00 176.35 174.25 3dfz s ARG 57 N -3.97 2.80 -0.09 1.48 3.52 0.73 -4.48 118.95 118.93 3dfz s ARG 57 Ca 0.18 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3dfz s ARG 57 Cb 0.01 -2.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 3dfz s ARG 57 CO 0.03 0.66 -0.06 0.08 -0.81 0.00 0.00 175.30 175.20 3dfz s VAL 58 N -0.89 3.79 -0.32 7.11 1.01 -1.26 0.43 120.40 130.27 3dfz s VAL 58 Ca 0.14 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3dfz s VAL 58 Cb -0.11 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.76 3dfz s VAL 58 CO 0.03 0.57 0.03 -0.75 0.00 0.00 0.00 175.10 174.98 3dfz s LYS 59 N -0.48 2.16 -1.17 2.72 2.20 0.10 -4.92 119.74 120.35 3dfz s LYS 59 Ca 0.07 -1.49 -0.14 0.00 -0.36 0.00 0.00 55.97 54.05 3dfz s LYS 59 Cb -0.12 -3.21 0.17 0.00 -1.51 0.00 0.00 37.83 33.16 3dfz s LYS 59 CO 0.02 -0.75 1.39 1.03 -0.36 0.00 0.00 175.35 176.69 3dfz s ARG 60 N 1.15 4.03 0.01 4.03 0.52 -1.26 -2.40 118.95 125.02 3dfz s ARG 60 Ca -0.01 -2.48 -0.29 0.00 -0.52 0.00 0.00 55.73 52.43 3dfz s ARG 60 Cb -0.20 -5.04 0.11 0.00 0.52 0.00 0.00 34.95 30.33 3dfz s ARG 60 CO -0.04 -1.77 1.25 -1.59 0.02 0.00 0.00 175.30 173.18 3dfz s LYS 61 N 1.72 0.50 0.48 3.54 -2.85 -1.06 -4.74 119.74 117.33 3dfz s LYS 61 Ca 0.41 -0.29 -0.15 0.00 -1.00 0.00 0.00 55.97 54.94 3dfz s LYS 61 Cb -0.03 0.16 -0.07 0.00 -2.06 0.00 0.00 37.83 35.82 3dfz s LYS 61 CO -0.01 -0.23 0.92 0.15 0.10 0.00 0.00 175.35 176.28 3dfz s LYS 62 N -2.36 3.90 0.41 1.78 1.02 -1.26 -1.76 119.74 121.46 3dfz s LYS 62 Ca 0.18 0.81 -0.26 0.00 0.02 0.00 0.00 55.97 56.73 3dfz s LYS 62 Cb 0.03 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 3dfz s LYS 62 CO -0.02 -0.20 1.26 0.08 -0.92 0.00 0.00 175.35 175.55 3dfz s VAL 63 N -2.55 2.78 0.43 3.17 1.01 -1.26 -4.97 120.40 119.02 3dfz s VAL 63 Ca 0.57 0.68 0.04 0.00 0.00 0.00 0.00 61.98 63.27 3dfz s VAL 63 Cb -0.10 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3dfz s VAL 63 CO 0.31 0.09 0.14 -0.83 0.00 0.00 0.00 175.10 174.81 3dfz s GLY 64 N -0.87 2.75 0.35 4.51 0.00 -1.26 -5.05 107.32 107.74 3dfz s GLY 64 Ca 0.57 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 44.23 3dfz s GLY 64 CO 0.45 -1.84 1.99 0.83 0.00 0.00 0.00 173.10 174.53 3dfz h GLU 65 N 1.70 0.84 -0.44 2.90 5.08 -1.99 -2.82 114.58 119.86 3dfz h GLU 65 Ca -0.34 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 3dfz h GLU 65 Cb 1.28 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3dfz h GLU 65 CO 0.54 0.56 0.09 0.93 -1.00 0.00 0.00 179.01 180.13 3dfz h GLU 66 N 0.87 0.66 0.00 2.33 4.39 -2.02 -2.92 114.58 117.89 3dfz h GLU 66 Ca 0.27 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3dfz h GLU 66 Cb 0.02 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3dfz h GLU 66 CO -0.07 0.61 0.00 -0.25 -1.16 0.00 0.00 179.01 178.14 3dfz n ASP 67 N -4.30 0.00 -0.32 1.42 8.00 -1.06 -3.03 116.55 117.25 3dfz n ASP 67 Ca 0.03 0.49 0.03 0.00 0.71 0.00 0.00 54.79 56.05 3dfz n ASP 67 Cb 0.21 -0.50 0.07 0.00 -0.02 0.00 0.00 41.12 40.88 3dfz n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3dfz n LEU 68 N -1.50 2.26 -0.05 0.64 4.77 -1.10 -4.78 117.00 117.24 3dfz n LEU 68 Ca 0.02 -1.75 -0.15 0.00 -0.03 0.00 0.00 56.01 54.09 3dfz n LEU 68 Cb 0.09 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 40.95 3dfz n LEU 68 CO 0.07 0.55 0.29 -0.07 -1.33 0.00 0.00 177.39 176.90 3dfz h LEU 69 N 1.12 0.09 -4.53 2.23 3.38 -1.70 -3.38 115.31 112.51 3dfz h LEU 69 Ca 0.00 -0.97 -0.57 0.00 0.09 0.00 0.00 57.88 56.42 3dfz h LEU 69 Cb 0.53 -0.03 -0.42 0.00 0.09 0.00 0.00 40.66 40.84 3dfz h LEU 69 CO 0.00 1.09 -0.76 0.59 0.09 0.00 0.00 178.44 179.45 3dfz n ASN 70 N -4.51 4.50 -4.22 -0.43 3.02 -1.26 -5.01 115.26 107.35 3dfz n ASN 70 Ca -0.12 -3.65 -0.34 0.00 -0.03 0.00 0.00 54.58 50.44 3dfz n ASN 70 Cb 0.55 -0.46 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 3dfz n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dfz s VAL 71 N -5.36 2.77 0.05 2.41 1.01 -1.26 -4.86 120.40 115.16 3dfz s VAL 71 Ca 0.47 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.46 3dfz s VAL 71 Cb 0.40 -2.24 -0.17 0.00 0.00 0.00 0.00 36.38 34.37 3dfz s VAL 71 CO -0.17 0.46 1.52 0.15 0.00 0.00 0.00 175.10 177.05 3dfz h PHE 72 N 8.03 -0.31 -3.22 5.22 3.57 -1.87 -3.44 116.94 124.92 3dfz h PHE 72 Ca -0.43 -0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.50 3dfz h PHE 72 Cb 1.15 0.10 -0.35 0.00 2.79 0.00 0.00 35.95 39.64 3dfz h PHE 72 CO 0.54 -0.08 -0.82 0.12 -2.23 0.00 0.00 178.31 175.83 3dfz s PHE 73 N -5.51 1.84 -0.19 0.41 5.99 -1.04 -4.03 117.98 115.45 3dfz s PHE 73 Ca -0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 56.93 55.83 3dfz s PHE 73 Cb 0.04 -1.38 -0.02 0.00 0.00 0.00 0.00 43.02 41.66 3dfz s PHE 73 CO 0.62 -0.52 -0.03 0.42 -0.00 0.00 0.00 175.22 175.71 3dfz s ILE 74 N 1.27 3.68 -0.21 3.12 1.01 -0.85 -1.08 121.20 128.15 3dfz s ILE 74 Ca -0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 3dfz s ILE 74 Cb -0.14 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3dfz s ILE 74 CO -0.05 0.45 0.02 -0.69 0.00 0.00 0.00 174.94 174.67 3dfz s VAL 75 N 0.92 4.08 -0.35 2.92 1.01 0.26 -0.23 120.40 129.02 3dfz s VAL 75 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3dfz s VAL 75 Cb -0.15 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 3dfz s VAL 75 CO 0.01 0.41 0.22 -0.69 0.00 0.00 0.00 175.10 175.06 3dfz s VAL 76 N 1.11 5.04 -0.31 2.92 1.01 0.48 -0.55 120.40 130.09 3dfz s VAL 76 Ca 0.03 -0.41 0.19 0.00 0.00 0.00 0.00 61.98 61.79 3dfz s VAL 76 Cb -0.14 -3.64 0.47 0.00 0.00 0.00 0.00 36.38 33.06 3dfz s VAL 76 CO 0.02 -0.06 1.00 0.00 0.00 0.00 0.00 175.10 176.06 3dfz n ALA 77 N 5.07 3.18 -2.42 5.51 0.00 0.12 -1.45 120.51 130.53 3dfz n ALA 77 Ca -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3dfz n ALA 77 Cb 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3dfz n ALA 77 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3dfz n THR 78 N -0.19 0.00 0.00 0.00 5.66 -1.21 -3.92 114.28 114.62 3dfz n THR 78 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 3dfz n THR 78 Cb 0.82 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 3dfz n THR 78 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3dfz n ASN 79 N -0.89 0.80 -4.66 1.09 3.02 -1.26 -4.79 115.26 108.56 3dfz n ASN 79 Ca 0.00 -0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.06 3dfz n ASN 79 Cb 0.00 0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3dfz n ASN 79 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3dfz s ASP 80 N -0.43 7.11 0.47 6.41 1.11 -1.26 -4.93 116.67 125.15 3dfz s ASP 80 Ca 0.00 1.43 0.22 0.00 0.18 0.00 0.00 52.55 54.38 3dfz s ASP 80 Cb 0.00 -2.54 1.17 0.00 1.07 0.00 0.00 42.92 42.62 3dfz s ASP 80 CO 0.00 -0.65 1.98 0.06 1.18 0.00 0.00 175.17 177.75 3dfz h GLN 81 N 7.45 0.00 -0.31 8.23 3.07 -1.99 -2.71 115.11 128.85 3dfz h GLN 81 Ca -0.21 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.36 3dfz h GLN 81 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.63 3dfz h GLN 81 CO 0.96 0.19 -0.48 0.00 0.09 0.00 0.00 178.83 179.60 3dfz h ALA 82 N 1.81 0.56 0.70 0.06 0.00 -1.98 0.13 119.26 120.53 3dfz h ALA 82 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3dfz h ALA 82 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dfz h ALA 82 CO 0.03 0.68 -0.43 0.28 0.00 0.00 0.00 179.25 179.81 3dfz h VAL 83 N 0.67 0.00 -0.80 0.00 2.07 -1.91 0.17 116.25 116.45 3dfz h VAL 83 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 3dfz h VAL 83 Cb 1.07 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.71 3dfz h VAL 83 CO 0.11 0.00 -0.32 0.59 0.02 0.00 0.00 177.57 177.97 3dfz n ASN 84 N -5.13 -0.53 -0.07 0.57 3.02 -1.07 -0.47 115.26 111.58 3dfz n ASN 84 Ca -0.13 1.40 -0.12 0.00 -0.03 0.00 0.00 54.58 55.70 3dfz n ASN 84 Cb 0.44 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 3dfz n ASN 84 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3dfz h LYS 85 N 0.00 0.38 0.15 3.52 1.57 -0.81 0.42 116.57 121.81 3dfz h LYS 85 Ca 0.27 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3dfz h LYS 85 Cb 0.47 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 3dfz h LYS 85 CO -0.79 0.60 -0.29 0.35 -0.57 0.00 0.00 179.45 178.75 3dfz h PHE 86 N 0.13 -0.77 -0.02 -1.35 3.57 0.35 -1.95 116.94 116.90 3dfz h PHE 86 Ca 0.06 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.60 3dfz h PHE 86 Cb 0.44 0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 3dfz h PHE 86 CO 0.04 -0.39 -0.41 0.28 -2.23 0.00 0.00 178.31 175.60 3dfz h VAL 87 N -0.52 0.17 0.00 1.41 2.07 -0.77 -3.38 116.25 115.23 3dfz h VAL 87 Ca 0.02 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.18 3dfz h VAL 87 Cb 0.53 0.17 0.09 0.00 -1.52 0.00 0.00 31.29 30.56 3dfz h VAL 87 CO -0.15 0.00 1.21 1.17 0.02 0.00 0.00 177.57 179.82 3dfz n LYS 88 N -5.44 0.00 0.00 1.57 4.81 0.13 -4.91 118.16 114.32 3dfz n LYS 88 Ca -0.05 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.59 3dfz n LYS 88 Cb 0.36 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.13 3dfz n LYS 88 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3dfz n ILE 91 N 6.18 0.00 -1.74 3.15 -5.35 -1.26 -5.04 119.36 115.31 3dfz n ILE 91 Ca 0.29 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.47 3dfz n ILE 91 Cb 0.26 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.24 3dfz n ILE 91 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3dfz s LYS 92 N -2.67 2.37 1.00 6.28 1.02 -1.26 -5.05 119.74 121.42 3dfz s LYS 92 Ca 0.00 0.48 -0.15 0.00 0.02 0.00 0.00 55.97 56.32 3dfz s LYS 92 Cb 0.00 -1.96 0.20 0.00 -0.52 0.00 0.00 37.83 35.54 3dfz s LYS 92 CO 0.00 -1.38 1.19 -0.80 -0.92 0.00 0.00 175.35 173.43 3dfz s ASN 93 N -4.19 2.71 0.00 2.83 0.01 -1.26 -3.51 114.94 111.54 3dfz s ASN 93 Ca 0.60 0.65 0.00 0.00 -0.71 0.00 0.00 52.86 53.40 3dfz s ASN 93 Cb -0.13 -0.97 0.00 0.00 0.41 0.00 0.00 41.25 40.56 3dfz s ASN 93 CO 0.52 -3.02 0.00 0.47 -1.51 0.00 0.00 177.10 173.57 3dfz n ASP 94 N -4.02 0.00 -4.61 -1.22 9.92 -1.26 -4.94 116.55 110.42 3dfz n ASP 94 Ca 0.11 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.94 3dfz n ASP 94 Cb 0.59 -1.41 -0.02 0.00 -0.64 0.00 0.00 41.12 39.64 3dfz n ASP 94 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3dfz s GLN 95 N -0.09 3.72 0.10 -1.24 2.00 -1.23 -5.00 119.66 117.92 3dfz s GLN 95 Ca 0.00 0.84 -0.31 0.00 -2.00 0.00 0.00 55.36 53.88 3dfz s GLN 95 Cb 0.00 -3.93 -0.11 0.00 0.80 0.00 0.00 33.01 29.77 3dfz s GLN 95 CO 0.00 -1.38 1.85 1.28 -0.50 0.00 0.00 175.29 176.55 3dfz n LEU 96 N 8.10 4.01 -3.73 3.68 4.77 -1.26 -4.80 117.00 127.78 3dfz n LEU 96 Ca 0.14 0.98 -0.12 0.00 -0.03 0.00 0.00 56.01 56.98 3dfz n LEU 96 Cb 0.48 -1.53 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 3dfz n LEU 96 CO 0.69 0.16 0.01 0.54 -1.33 0.00 0.00 177.39 177.45 3dfz s VAL 97 N 3.00 -0.02 -0.28 4.08 0.11 -1.26 -2.00 120.40 124.03 3dfz s VAL 97 Ca 0.83 0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 59.87 3dfz s VAL 97 Cb -0.49 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3dfz s VAL 97 CO 0.39 0.02 0.09 0.21 -3.33 0.00 0.00 175.10 172.49 3dfz s ASN 98 N 0.81 5.22 -1.12 3.54 3.04 0.68 -1.71 114.94 125.41 3dfz s ASN 98 Ca -0.05 -0.51 -0.11 0.00 0.04 0.00 0.00 52.86 52.23 3dfz s ASN 98 Cb -0.06 -1.92 0.25 0.00 -1.54 0.00 0.00 41.25 37.97 3dfz s ASN 98 CO -0.06 -0.15 1.17 -0.04 -3.04 0.00 0.00 177.10 174.99 3dfz s MET 99 N 1.56 4.13 0.26 0.43 -1.94 -1.26 -0.39 119.30 122.10 3dfz s MET 99 Ca 0.04 -2.99 -0.02 0.00 -1.71 0.00 0.00 55.69 51.01 3dfz s MET 99 Cb -0.16 -4.68 0.34 0.00 2.01 0.00 0.00 34.83 32.34 3dfz s MET 99 CO 0.04 -1.38 1.78 0.00 -0.01 0.00 0.00 175.02 175.44 3dfz h ALA 100 N 6.90 1.13 -0.09 3.03 0.00 -1.61 -2.95 119.26 125.68 3dfz h ALA 100 Ca 0.21 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3dfz h ALA 100 Cb 0.89 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3dfz h ALA 100 CO 1.06 0.57 0.04 0.43 0.00 0.00 0.00 179.25 181.34 3dfz n SER 101 N -4.23 2.27 -0.22 0.00 7.64 -1.21 -4.99 113.62 112.89 3dfz n SER 101 Ca 0.03 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3dfz n SER 101 Cb 0.28 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3dfz n SER 101 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3dfz n SER 102 N 0.19 -2.20 0.08 6.43 3.41 -1.11 -4.95 113.62 115.47 3dfz n SER 102 Ca 0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.44 3dfz n SER 102 Cb 0.49 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.29 3dfz n SER 102 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dfz h PHE 103 N 0.00 0.75 -4.24 7.33 3.57 -1.94 -3.47 116.94 118.94 3dfz h PHE 103 Ca 0.00 -0.52 -0.52 0.00 3.53 0.00 0.00 57.97 60.46 3dfz h PHE 103 Cb 0.00 -0.04 0.16 0.00 2.79 0.00 0.00 35.95 38.86 3dfz h PHE 103 CO 0.00 1.39 0.32 -1.54 -2.23 0.00 0.00 178.31 176.25 3dfz s SER 104 N -7.20 3.95 0.36 0.41 1.04 -1.26 -5.04 113.70 105.96 3dfz s SER 104 Ca -0.12 2.13 0.02 0.00 0.48 0.00 0.00 55.95 58.47 3dfz s SER 104 Cb 0.03 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 3dfz s SER 104 CO 0.88 -2.42 0.55 -1.81 0.98 0.00 0.00 173.24 171.42 3dfz s ASP 105 N -2.63 6.06 0.00 7.02 1.01 -1.26 -4.84 116.67 122.04 3dfz s ASP 105 Ca 0.68 0.19 0.00 0.00 0.71 0.00 0.00 52.55 54.13 3dfz s ASP 105 Cb -0.23 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.05 3dfz s ASP 105 CO 0.51 -0.43 0.00 0.61 0.21 0.00 0.00 175.17 176.07 3dfz n GLY 106 N -1.80 1.60 0.98 0.21 0.00 -1.26 -4.87 105.19 100.04 3dfz n GLY 106 Ca -0.02 -1.76 0.11 0.00 0.00 0.00 0.00 46.02 44.35 3dfz n GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dfz n ASN 107 N 0.00 3.08 -4.18 1.61 0.23 -1.00 -4.89 115.26 110.11 3dfz n ASN 107 Ca 0.00 -1.94 -0.31 0.00 -0.53 0.00 0.00 54.58 51.80 3dfz n ASN 107 Cb 0.00 -0.11 -0.17 0.00 -2.08 0.00 0.00 39.78 37.42 3dfz n ASN 107 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3dfz s ILE 108 N -1.65 1.90 0.09 1.53 -1.09 -0.69 -4.91 121.20 116.38 3dfz s ILE 108 Ca 0.31 -0.92 0.10 0.00 -2.23 0.00 0.00 60.65 57.90 3dfz s ILE 108 Cb 0.20 -1.66 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 3dfz s ILE 108 CO 0.29 0.52 -0.25 -1.10 -1.23 0.00 0.00 174.94 173.17 3dfz s GLN 109 N 0.49 1.66 -0.33 2.79 -0.21 -1.26 -4.18 119.66 118.62 3dfz s GLN 109 Ca -0.16 -1.21 -0.10 0.00 0.02 0.00 0.00 55.36 53.91 3dfz s GLN 109 Cb -0.17 -1.99 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 3dfz s GLN 109 CO 0.06 0.48 0.17 0.42 -2.12 0.00 0.00 175.29 174.31 3dfz s ILE 110 N -0.97 4.69 0.83 1.08 1.01 -1.26 -5.10 121.20 121.48 3dfz s ILE 110 Ca 0.14 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 3dfz s ILE 110 Cb -0.10 -3.44 0.09 0.00 0.01 0.00 0.00 42.46 39.03 3dfz s ILE 110 CO 0.05 -0.00 1.09 -2.16 0.00 0.00 0.00 174.94 173.92 3dfz s PRO 111 N 1.62 1.75 0.49 2.79 0.04 -1.26 -5.02 135.00 135.41 3dfz s PRO 111 Ca 0.04 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 61.93 3dfz s PRO 111 Cb -0.17 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3dfz s PRO 111 CO 0.07 -1.96 1.11 0.00 0.04 0.00 0.00 177.00 176.25 3dfz s ALA 112 N -2.89 2.86 -0.00 8.56 0.00 0.22 -4.81 121.76 125.70 3dfz s ALA 112 Ca 0.62 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 3dfz s ALA 112 Cb -0.18 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3dfz s ALA 112 CO 0.57 -0.56 0.07 -0.65 0.00 0.00 0.00 175.76 175.18 3dfz s GLN 113 N -3.02 0.33 0.09 0.00 -0.21 -1.26 -0.32 119.66 115.27 3dfz s GLN 113 Ca 0.67 -0.33 -0.00 0.00 0.02 0.00 0.00 55.36 55.72 3dfz s GLN 113 Cb -0.23 0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.87 3dfz s GLN 113 CO 0.27 -0.07 -0.01 -0.59 -2.12 0.00 0.00 175.29 172.78 3dfz s PHE 114 N -1.03 0.71 0.05 0.91 -0.12 -0.85 -5.02 117.98 112.63 3dfz s PHE 114 Ca -0.11 -1.09 0.07 0.00 -0.05 0.00 0.00 56.93 55.75 3dfz s PHE 114 Cb -0.07 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 3dfz s PHE 114 CO 0.00 -0.38 -0.20 0.45 -0.05 0.00 0.00 175.22 175.05 3dfz s SER 115 N -2.99 2.33 -0.48 1.98 0.15 -1.26 -1.49 113.70 111.95 3dfz s SER 115 Ca 0.14 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3dfz s SER 115 Cb 0.07 -0.18 0.13 0.00 -1.71 0.00 0.00 66.02 64.34 3dfz s SER 115 CO -0.05 0.12 0.23 -0.13 1.20 0.00 0.00 173.24 174.61 3dfz s ARG 116 N -1.28 1.70 7.78 5.44 1.81 0.12 -4.98 118.95 129.54 3dfz s ARG 116 Ca 0.06 -2.34 0.00 0.00 -1.72 0.00 0.00 55.73 51.73 3dfz s ARG 116 Cb -0.09 -2.98 0.00 0.00 -0.45 0.00 0.00 34.95 31.43 3dfz s ARG 116 CO 0.02 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 173.94 3dfz n GLY 117 N 3.37 3.42 0.14 -3.53 0.00 -1.26 -1.29 105.19 106.04 3dfz n GLY 117 Ca 0.06 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3dfz n GLY 117 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dfz h ARG 118 N 0.00 0.00 -6.54 1.61 3.08 -1.88 -3.44 114.38 107.22 3dfz h ARG 118 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3dfz h ARG 118 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3dfz h ARG 118 CO 0.00 0.00 0.45 -1.17 -1.07 0.00 0.00 179.97 178.18 3dfz s LEU 119 N -4.67 4.44 -0.04 3.04 2.96 -0.41 -5.01 118.68 118.99 3dfz s LEU 119 Ca 0.06 1.91 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 3dfz s LEU 119 Cb 0.10 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.21 3dfz s LEU 119 CO 0.47 -0.26 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.58 3dfz s SER 120 N 0.44 1.44 -0.07 3.68 0.15 -1.26 0.11 113.70 118.19 3dfz s SER 120 Ca 0.52 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.99 3dfz s SER 120 Cb -0.26 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.55 3dfz s SER 120 CO 0.31 0.06 -0.23 -0.76 1.20 0.00 0.00 173.24 173.82 3dfz s LEU 121 N 0.35 2.17 -0.07 3.45 1.43 -0.55 -5.02 118.68 120.43 3dfz s LEU 121 Ca -0.07 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3dfz s LEU 121 Cb -0.11 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 3dfz s LEU 121 CO 0.01 0.23 -0.23 0.00 0.23 0.00 0.00 176.35 176.60 3dfz s ALA 122 N -0.07 2.25 -0.06 4.21 0.00 -1.26 -2.02 121.76 124.82 3dfz s ALA 122 Ca -0.06 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.92 3dfz s ALA 122 Cb -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3dfz s ALA 122 CO 0.05 0.38 -0.16 0.42 0.00 0.00 0.00 175.76 176.45 3dfz s ILE 123 N -0.04 1.35 0.03 0.00 1.09 0.56 -4.95 121.20 119.23 3dfz s ILE 123 Ca -0.07 -0.64 -0.01 0.00 -1.10 0.00 0.00 60.65 58.83 3dfz s ILE 123 Cb -0.15 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.04 3dfz s ILE 123 CO 0.05 0.40 -0.01 -0.55 -0.10 0.00 0.00 174.94 174.72 3dfz s SER 124 N 0.32 0.27 -0.11 3.58 0.15 -1.26 -0.61 113.70 116.04 3dfz s SER 124 Ca -0.10 -0.58 0.15 0.00 0.70 0.00 0.00 55.95 56.13 3dfz s SER 124 Cb -0.14 0.13 0.26 0.00 -1.71 0.00 0.00 66.02 64.57 3dfz s SER 124 CO 0.03 -0.37 1.13 0.35 1.20 0.00 0.00 173.24 175.59 3dfz n THR 125 N 1.27 1.52 -3.21 6.45 -2.24 -1.26 -4.97 114.28 111.84 3dfz n THR 125 Ca -0.22 -1.95 -0.23 0.00 -2.27 0.00 0.00 64.05 59.38 3dfz n THR 125 Cb 0.56 -0.06 0.05 0.00 -2.10 0.00 0.00 70.33 68.78 3dfz n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3dfz n ASP 126 N -1.07 -6.09 0.00 3.42 2.03 -1.26 -0.81 116.55 112.77 3dfz n ASP 126 Ca 0.13 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.07 3dfz n ASP 126 Cb 0.68 -4.88 0.00 0.00 -0.72 0.00 0.00 41.12 36.19 3dfz n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dfz n GLY 127 N -1.65 0.12 0.37 0.27 0.00 -1.26 -4.87 105.19 98.16 3dfz n GLY 127 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3dfz n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfz h ALA 128 N 0.00 1.51 -0.87 4.61 0.00 -1.40 -3.41 119.26 119.70 3dfz h ALA 128 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dfz h ALA 128 Cb 0.66 -0.26 -0.20 0.00 0.00 0.00 0.00 17.79 17.99 3dfz h ALA 128 CO 0.00 0.33 -0.35 0.45 0.00 0.00 0.00 179.25 179.69 3dfz s SER 129 N -5.95 -1.39 0.50 0.00 0.15 -1.26 -5.01 113.70 100.73 3dfz s SER 129 Ca -0.12 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 56.62 3dfz s SER 129 Cb 0.20 1.83 1.31 0.00 -1.71 0.00 0.00 66.02 67.65 3dfz s SER 129 CO 0.80 -0.22 1.94 -0.65 1.20 0.00 0.00 173.24 176.31 3dfz h PRO 130 N 7.45 0.13 -0.23 5.44 0.11 -1.96 -2.27 132.00 140.67 3dfz h PRO 130 Ca -0.00 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.97 3dfz h PRO 130 Cb 1.19 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dfz h PRO 130 CO 0.09 0.09 -0.36 -0.07 -0.21 0.00 0.00 178.00 177.54 3dfz h LEU 131 N 0.13 0.72 -0.32 2.35 3.38 -1.99 -1.88 115.31 117.72 3dfz h LEU 131 Ca 0.34 -0.52 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3dfz h LEU 131 Cb 1.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3dfz h LEU 131 CO -0.05 1.10 0.17 0.25 0.09 0.00 0.00 178.44 180.01 3dfz h LEU 132 N 0.36 0.27 -0.51 1.67 5.85 -1.86 0.30 115.31 121.38 3dfz h LEU 132 Ca 0.02 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3dfz h LEU 132 Cb 0.95 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 3dfz h LEU 132 CO 0.08 0.20 0.13 0.74 -0.34 0.00 0.00 178.44 179.25 3dfz h THR 133 N 0.35 0.74 -0.07 1.05 2.02 -1.40 0.91 112.91 116.52 3dfz h THR 133 Ca 0.13 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3dfz h THR 133 Cb 0.02 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3dfz h THR 133 CO -0.07 0.05 0.04 0.50 0.37 0.00 0.00 175.52 176.41 3dfz h LYS 134 N 0.28 0.10 -0.46 6.66 3.64 -1.24 -1.58 116.57 123.98 3dfz h LYS 134 Ca 0.26 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 3dfz h LYS 134 Cb 0.33 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 3dfz h LYS 134 CO -0.31 0.16 -0.09 -0.09 -2.27 0.00 0.00 179.45 176.85 3dfz h ARG 135 N 0.02 0.02 -0.70 1.90 2.43 -0.09 -1.25 114.38 116.72 3dfz h ARG 135 Ca 0.03 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3dfz h ARG 135 Cb 0.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3dfz h ARG 135 CO -0.00 0.02 0.22 0.82 -1.51 0.00 0.00 179.97 179.51 3dfz h ILE 136 N 0.03 1.26 -0.74 1.20 2.04 -0.77 0.16 117.51 120.68 3dfz h ILE 136 Ca 0.23 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3dfz h ILE 136 Cb 0.34 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3dfz h ILE 136 CO -0.45 0.34 0.49 0.50 0.00 0.00 0.00 178.15 179.03 3dfz h LYS 137 N 1.03 0.96 -0.61 2.37 3.64 -1.00 0.31 116.57 123.27 3dfz h LYS 137 Ca 0.23 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3dfz h LYS 137 Cb 0.30 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3dfz h LYS 137 CO -0.01 0.64 0.32 0.93 -2.27 0.00 0.00 179.45 179.05 3dfz h GLU 138 N 0.99 0.87 -0.59 1.90 5.08 -0.92 0.59 114.58 122.50 3dfz h GLU 138 Ca 0.27 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3dfz h GLU 138 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3dfz h GLU 138 CO -0.06 0.68 0.15 -0.44 -1.00 0.00 0.00 179.01 178.34 3dfz h ASP 139 N 0.84 0.89 0.05 1.42 3.32 -0.10 -1.75 116.42 121.09 3dfz h ASP 139 Ca 0.21 -0.23 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 3dfz h ASP 139 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3dfz h ASP 139 CO -0.03 0.89 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.87 3dfz h LEU 140 N 0.85 0.51 -0.52 1.55 3.38 -0.36 -2.51 115.31 118.21 3dfz h LEU 140 Ca 0.19 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dfz h LEU 140 Cb 0.34 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3dfz h LEU 140 CO 0.00 0.89 0.29 0.28 0.09 0.00 0.00 178.44 179.99 3dfz h SER 141 N 0.39 0.45 0.20 -0.43 0.02 -0.76 -0.77 113.55 112.65 3dfz h SER 141 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3dfz h SER 141 Cb 0.94 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 3dfz h SER 141 CO 0.08 0.31 -0.49 -1.28 -1.14 0.00 0.00 176.83 174.31 3dfz h SER 142 N 0.57 -1.44 -0.24 3.07 0.87 -1.13 -3.25 113.55 111.99 3dfz h SER 142 Ca 0.22 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.88 3dfz h SER 142 Cb 0.08 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3dfz h SER 142 CO -0.13 -0.55 0.03 0.78 -0.53 0.00 0.00 176.83 176.43 3dfz h ASN 143 N -0.76 0.48 -3.92 6.23 2.35 -1.38 -3.35 115.58 115.23 3dfz h ASN 143 Ca -0.02 -0.08 -0.68 0.00 -0.55 0.00 0.00 56.30 54.97 3dfz h ASN 143 Cb 0.74 -0.12 -0.36 0.00 0.05 0.00 0.00 38.32 38.62 3dfz h ASN 143 CO -0.21 0.53 -0.49 -0.31 -1.65 0.00 0.00 177.43 175.29 3dfz s TYR 144 N -5.02 3.47 0.00 1.19 1.51 -0.30 -5.08 117.35 113.11 3dfz s TYR 144 Ca -0.08 -2.71 0.00 0.00 -1.01 0.00 0.00 57.07 53.27 3dfz s TYR 144 Cb 0.16 -3.13 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 3dfz s TYR 144 CO 0.76 -0.88 0.00 -0.40 -1.11 0.00 0.00 175.55 173.92 3dfz n ASP 145 N 3.86 0.00 0.16 2.29 5.68 -1.24 -4.52 116.55 122.78 3dfz n ASP 145 Ca 0.04 -0.36 0.11 0.00 -0.50 0.00 0.00 54.79 54.08 3dfz n ASP 145 Cb 0.38 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.94 3dfz n ASP 145 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dfz n GLU 146 N -0.36 0.15 -0.09 0.11 4.71 -1.26 -1.34 120.64 122.56 3dfz n GLU 146 Ca 0.00 0.60 0.08 0.00 -0.01 0.00 0.00 57.16 57.84 3dfz n GLU 146 Cb 0.00 -1.94 0.44 0.00 -1.01 0.00 0.00 31.44 28.93 3dfz n GLU 146 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3dfz h SER 147 N 0.00 0.48 0.87 1.62 4.64 -1.96 -2.01 113.55 117.19 3dfz h SER 147 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3dfz h SER 147 Cb 0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3dfz h SER 147 CO 0.00 0.31 -0.21 1.88 -0.87 0.00 0.00 176.83 177.94 3dfz h TYR 148 N 0.54 0.00 -0.04 4.77 0.05 -1.56 -2.16 116.97 118.57 3dfz h TYR 148 Ca 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 3dfz h TYR 148 Cb 0.29 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 3dfz h TYR 148 CO -0.00 0.21 -0.00 1.15 -1.05 0.00 0.00 178.16 178.47 3dfz h THR 149 N 0.00 1.26 -0.53 -2.88 2.02 -1.47 -1.69 112.91 109.62 3dfz h THR 149 Ca -0.00 -0.78 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 3dfz h THR 149 Cb 0.70 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3dfz h THR 149 CO 0.03 0.21 -0.06 -0.61 0.37 0.00 0.00 175.52 175.46 3dfz h GLN 150 N -0.24 0.95 -0.44 6.66 -0.00 -1.53 -3.20 115.11 117.32 3dfz h GLN 150 Ca 0.01 -0.31 -0.09 0.00 -0.00 0.00 0.00 58.65 58.26 3dfz h GLN 150 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 3dfz h GLN 150 CO 0.00 0.98 -0.08 -0.92 0.00 0.00 0.00 178.83 178.81 3dfz h TYR 151 N 0.87 0.92 0.00 3.99 3.20 -1.32 -1.69 116.97 122.93 3dfz h TYR 151 Ca 0.15 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3dfz h TYR 151 Cb 0.59 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3dfz h TYR 151 CO 0.04 0.92 0.00 1.79 -1.64 0.00 0.00 178.16 179.26 3dfz h THR 152 N 0.65 0.00 -0.10 1.81 1.35 -1.38 0.14 112.91 115.38 3dfz h THR 152 Ca 0.11 -0.57 -0.06 0.00 -0.55 0.00 0.00 66.41 65.35 3dfz h THR 152 Cb 0.60 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3dfz h THR 152 CO 0.04 0.00 -0.17 -0.61 -0.25 0.00 0.00 175.52 174.53 3dfz h GLN 153 N 0.00 0.29 -0.27 4.72 5.75 -1.49 -0.63 115.11 123.49 3dfz h GLN 153 Ca 0.00 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3dfz h GLN 153 Cb 0.59 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 3dfz h GLN 153 CO 0.00 0.76 -0.13 0.35 -2.65 0.00 0.00 178.83 177.16 3dfz h PHE 154 N -0.14 -0.33 -0.42 3.99 3.57 -0.73 -2.47 116.94 120.40 3dfz h PHE 154 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3dfz h PHE 154 Cb 0.74 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3dfz h PHE 154 CO 0.10 -0.20 0.18 -0.07 -2.23 0.00 0.00 178.31 176.09 3dfz h LEU 155 N -0.10 0.53 0.06 0.59 3.38 -0.71 -1.43 115.31 117.63 3dfz h LEU 155 Ca 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dfz h LEU 155 Cb 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3dfz h LEU 155 CO -0.33 0.47 -0.03 0.22 0.09 0.00 0.00 178.44 178.86 3dfz h TYR 156 N 0.59 -0.07 -0.70 1.13 3.20 -0.94 -1.53 116.97 118.65 3dfz h TYR 156 Ca 0.15 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.08 3dfz h TYR 156 Cb 0.10 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3dfz h TYR 156 CO 0.01 0.22 0.40 1.49 -1.64 0.00 0.00 178.16 178.63 3dfz h GLU 157 N -0.37 0.70 -0.51 1.82 4.81 -1.20 -1.40 114.58 118.44 3dfz h GLU 157 Ca -0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3dfz h GLU 157 Cb 0.32 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3dfz h GLU 157 CO 0.01 0.47 0.26 0.00 -0.73 0.00 0.00 179.01 179.02 3dfz h ARG 159 N 0.51 -0.12 -0.14 0.00 9.65 -0.53 -0.03 114.38 123.72 3dfz h ARG 159 Ca 0.22 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.16 3dfz h ARG 159 Cb 0.12 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 3dfz h ARG 159 CO -0.15 -0.08 -0.34 0.28 2.80 0.00 0.00 179.97 182.48 3dfz h VAL 160 N -0.12 0.26 -0.00 0.20 2.07 -1.11 -0.79 116.25 116.75 3dfz h VAL 160 Ca 0.08 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 3dfz h VAL 160 Cb 0.24 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3dfz h VAL 160 CO -0.19 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 176.96 3dfz h LEU 161 N -0.41 0.01 0.07 2.57 3.38 -0.93 -3.08 115.31 116.92 3dfz h LEU 161 Ca 0.10 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 3dfz h LEU 161 Cb 0.56 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3dfz h LEU 161 CO -0.37 0.37 -1.18 0.40 0.09 0.00 0.00 178.44 177.76 3dfz h ILE 162 N 0.00 1.55 -0.29 1.22 2.04 -0.69 -3.26 117.51 118.07 3dfz h ILE 162 Ca -0.00 -3.19 -0.02 0.00 1.00 0.00 0.00 64.86 62.65 3dfz h ILE 162 Cb 0.65 2.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 3dfz h ILE 162 CO 0.05 0.91 0.09 -0.74 0.00 0.00 0.00 178.15 178.46 3dfz h HIS 163 N 0.04 0.41 -0.40 1.37 2.76 -1.06 -2.89 115.15 115.39 3dfz h HIS 163 Ca -0.10 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 57.91 3dfz h HIS 163 Cb 1.89 -0.13 -0.09 0.00 1.55 0.00 0.00 27.41 30.63 3dfz h HIS 163 CO 0.04 0.35 0.03 0.54 -1.30 0.00 0.00 177.93 177.59 3dfz n ARG 164 N -4.39 2.30 -2.95 5.26 1.74 -1.22 -4.96 116.66 112.44 3dfz n ARG 164 Ca 0.01 -3.06 -0.39 0.00 -0.77 0.00 0.00 57.85 53.64 3dfz n ARG 164 Cb 0.15 -1.88 -0.06 0.00 -1.02 0.00 0.00 32.46 29.65 3dfz n ARG 164 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dfz s LEU 165 N -3.11 4.57 -1.24 0.55 1.02 -1.09 -4.98 118.68 114.40 3dfz s LEU 165 Ca 0.45 1.68 -0.05 0.00 0.02 0.00 0.00 54.13 56.24 3dfz s LEU 165 Cb 0.39 -3.40 0.18 0.00 0.02 0.00 0.00 46.19 43.38 3dfz s LEU 165 CO 0.04 0.18 2.15 0.59 0.02 0.00 0.00 176.35 179.33 3dfz n ASN 166 N 1.46 7.41 -4.22 2.29 3.02 -1.26 -4.86 115.26 119.10 3dfz n ASN 166 Ca -0.04 -3.27 -0.13 0.00 -0.03 0.00 0.00 54.58 51.11 3dfz n ASN 166 Cb 0.49 -1.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 3dfz n ASN 166 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dfz s VAL 167 N -1.69 0.65 0.86 2.41 0.11 -1.26 -5.14 120.40 116.34 3dfz s VAL 167 Ca 0.48 -1.97 -0.10 0.00 -2.93 0.00 0.00 61.98 57.46 3dfz s VAL 167 Cb 0.17 -2.01 0.11 0.00 -1.53 0.00 0.00 36.38 33.12 3dfz s VAL 167 CO -0.08 -0.57 1.12 -0.94 -3.33 0.00 0.00 175.10 171.30 3dfz s SER 168 N -3.14 3.55 0.25 3.54 1.04 -1.26 -4.82 113.70 112.86 3dfz s SER 168 Ca 0.21 1.97 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 3dfz s SER 168 Cb 0.06 -2.52 0.34 0.00 0.10 0.00 0.00 66.02 64.00 3dfz s SER 168 CO 0.02 -2.67 1.88 0.50 0.98 0.00 0.00 173.24 173.95 3dfz h LYS 169 N -1.57 1.12 0.00 4.02 1.63 -1.99 -1.30 116.57 118.49 3dfz h LYS 169 Ca -0.44 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.15 3dfz h LYS 169 Cb 1.26 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 3dfz h LYS 169 CO 0.47 0.74 -0.66 1.03 -3.45 0.00 0.00 179.45 177.58 3dfz h SER 170 N 1.16 0.00 -0.42 4.20 0.87 -2.00 -2.17 113.55 115.19 3dfz h SER 170 Ca 0.39 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.83 3dfz h SER 170 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3dfz h SER 170 CO -0.14 0.66 -0.21 0.03 -0.53 0.00 0.00 176.83 176.64 3dfz h ARG 171 N 0.00 0.89 -0.61 2.24 2.47 -1.81 -2.76 114.38 114.80 3dfz h ARG 171 Ca -0.01 -0.39 0.05 0.00 -1.26 0.00 0.00 59.98 58.37 3dfz h ARG 171 Cb 1.17 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.42 3dfz h ARG 171 CO 0.09 1.04 0.34 0.87 0.56 0.00 0.00 179.97 182.87 3dfz h LYS 172 N 0.71 0.63 -0.42 0.04 1.57 -0.98 -2.04 116.57 116.08 3dfz h LYS 172 Ca 0.09 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3dfz h LYS 172 Cb 0.78 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3dfz h LYS 172 CO 0.06 0.42 -0.22 1.25 -0.57 0.00 0.00 179.45 180.40 3dfz h HIS 173 N 0.65 0.96 -0.45 -1.35 2.76 -1.41 -1.02 115.15 115.29 3dfz h HIS 173 Ca 0.26 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 3dfz h HIS 173 Cb 0.12 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 3dfz h HIS 173 CO -0.08 0.98 0.24 1.49 -1.30 0.00 0.00 177.93 179.26 3dfz h GLU 174 N 0.74 0.64 0.02 5.26 4.81 -1.23 -0.19 114.58 124.63 3dfz h GLU 174 Ca 0.10 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3dfz h GLU 174 Cb 0.75 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3dfz h GLU 174 CO 0.06 0.52 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.78 3dfz h LEU 175 N 0.60 -0.03 -1.89 1.64 3.38 -1.18 -1.23 115.31 116.60 3dfz h LEU 175 Ca 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3dfz h LEU 175 Cb 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dfz h LEU 175 CO -0.02 0.14 -0.11 -0.07 0.09 0.00 0.00 178.44 178.46 3dfz h LEU 176 N -0.19 0.00 -0.04 1.67 3.38 -1.05 -2.75 115.31 116.34 3dfz h LEU 176 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3dfz h LEU 176 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3dfz h LEU 176 CO 0.01 0.11 -0.67 0.74 0.09 0.00 0.00 178.44 178.72 3dfz h THR 177 N 0.00 1.37 -0.89 0.22 2.02 -0.86 -3.36 112.91 111.41 3dfz h THR 177 Ca -0.00 -2.03 0.19 0.00 0.77 0.00 0.00 66.41 65.33 3dfz h THR 177 Cb 0.35 2.41 -0.07 0.00 -1.74 0.00 0.00 68.15 69.11 3dfz h THR 177 CO 0.01 0.61 0.58 -0.08 0.37 0.00 0.00 175.52 177.02 3dfz h GLU 178 N 0.09 0.45 -0.46 6.66 4.81 -0.91 -2.30 114.58 122.91 3dfz h GLU 178 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3dfz h GLU 178 Cb 1.35 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3dfz h GLU 178 CO 0.13 0.30 0.00 0.44 -0.73 0.00 0.00 179.01 179.15 3dfz n ILE 179 N -4.53 0.62 -3.37 2.32 -5.35 -1.23 -4.58 119.36 103.24 3dfz n ILE 179 Ca 0.19 -0.65 -0.45 0.00 -0.27 0.00 0.00 62.75 61.56 3dfz n ILE 179 Cb 0.64 0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 38.91 3dfz n ILE 179 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3dfz s ILE 180 N -1.38 5.56 0.35 7.28 -1.09 -0.87 -4.79 121.20 126.26 3dfz s ILE 180 Ca 0.34 -2.83 -0.14 0.00 -2.23 0.00 0.00 60.65 55.79 3dfz s ILE 180 Cb 0.18 -4.42 0.04 0.00 -1.58 0.00 0.00 42.46 36.68 3dfz s ILE 180 CO 0.24 -1.07 0.70 1.51 -1.23 0.00 0.00 174.94 175.09 3dfz s ASP 181 N 1.74 0.13 0.35 3.58 1.47 -1.26 -5.05 116.67 117.63 3dfz s ASP 181 Ca 0.22 -1.12 0.04 0.00 1.18 0.00 0.00 52.55 52.87 3dfz s ASP 181 Cb -0.11 0.78 0.63 0.00 -0.34 0.00 0.00 42.92 43.89 3dfz s ASP 181 CO -0.08 -1.54 1.92 0.44 0.68 0.00 0.00 175.17 176.59 3dfz h ASP 182 N 2.04 0.54 0.22 2.11 3.32 -2.00 -3.03 116.42 119.62 3dfz h ASP 182 Ca -0.29 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.54 3dfz h ASP 182 Cb 1.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3dfz h ASP 182 CO 0.37 0.54 -0.54 -0.61 -1.72 0.00 0.00 179.24 177.28 3dfz h GLN 183 N 0.58 0.35 -0.52 3.56 4.15 -1.97 -1.93 115.11 119.33 3dfz h GLN 183 Ca 0.13 -0.21 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 3dfz h GLN 183 Cb 0.21 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3dfz h GLN 183 CO -0.00 0.80 0.01 1.88 -1.93 0.00 0.00 178.83 179.58 3dfz h TYR 184 N 0.27 0.93 -0.32 3.99 -1.99 -1.83 -0.43 116.97 117.60 3dfz h TYR 184 Ca 0.01 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.52 3dfz h TYR 184 Cb 1.03 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.49 3dfz h TYR 184 CO 0.03 0.84 -0.14 -0.09 -0.00 0.00 0.00 178.16 178.80 3dfz h ARG 185 N 0.81 0.56 -0.02 4.88 2.43 -1.42 -3.36 114.38 118.26 3dfz h ARG 185 Ca 0.16 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3dfz h ARG 185 Cb 0.47 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3dfz h ARG 185 CO 0.02 0.69 0.00 1.28 -1.51 0.00 0.00 179.97 180.45 3dfz n LEU 186 N -4.18 1.53 -3.99 3.80 4.77 -0.74 -4.80 117.00 113.38 3dfz n LEU 186 Ca 0.01 -1.42 -0.30 0.00 -0.03 0.00 0.00 56.01 54.27 3dfz n LEU 186 Cb 0.35 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.26 3dfz n LEU 186 CO 0.41 0.37 -0.47 -0.55 -1.33 0.00 0.00 177.39 175.83 3dfz s SER 187 N -0.48 2.95 0.28 -1.43 0.15 -0.18 -5.01 113.70 109.98 3dfz s SER 187 Ca 0.02 -0.65 0.15 0.00 0.70 0.00 0.00 55.95 56.17 3dfz s SER 187 Cb 0.01 -1.16 0.18 0.00 -1.71 0.00 0.00 66.02 63.34 3dfz s SER 187 CO 0.02 -0.11 1.49 -0.07 1.20 0.00 0.00 173.24 175.77 3dfz h LEU 188 N 8.03 0.00 0.40 3.45 3.38 -1.86 -2.67 115.31 126.04 3dfz h LEU 188 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 3dfz h LEU 188 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dfz h LEU 188 CO 0.49 0.54 -0.19 0.58 0.09 0.00 0.00 178.44 179.94 3dfz h VAL 189 N 0.00 0.61 -0.53 1.22 2.07 -1.95 -0.85 116.25 116.82 3dfz h VAL 189 Ca -0.01 -0.22 0.11 0.00 0.82 0.00 0.00 66.70 67.40 3dfz h VAL 189 Cb 1.32 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.71 3dfz h VAL 189 CO 0.07 0.04 -0.13 0.50 0.02 0.00 0.00 177.57 178.07 3dfz h LYS 190 N -0.66 0.00 0.64 1.57 1.63 -1.88 0.52 116.57 118.39 3dfz h LYS 190 Ca -0.05 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 3dfz h LYS 190 Cb 0.48 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3dfz h LYS 190 CO 0.09 0.00 -0.38 1.96 -3.45 0.00 0.00 179.45 177.67 3dfz h GLN 191 N 0.00 -0.92 -0.74 1.90 4.20 -1.40 -2.26 115.11 115.89 3dfz h GLN 191 Ca 0.25 0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.05 3dfz h GLN 191 Cb 0.39 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3dfz h GLN 191 CO -0.54 -0.62 0.48 0.00 -0.67 0.00 0.00 178.83 177.48 3dfz h ARG 192 N -0.96 0.92 0.00 1.46 3.08 -0.68 -1.45 114.38 116.75 3dfz h ARG 192 Ca -0.08 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3dfz h ARG 192 Cb 0.77 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3dfz h ARG 192 CO 0.09 0.61 -0.23 0.93 -1.07 0.00 0.00 179.97 180.30 3dfz h GLU 193 N 0.95 0.00 -0.14 0.04 5.08 -0.91 -1.78 114.58 117.82 3dfz h GLU 193 Ca 0.29 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 3dfz h GLU 193 Cb -0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3dfz h GLU 193 CO -0.09 0.23 -0.68 0.35 -1.00 0.00 0.00 179.01 177.81 3dfz h PHE 194 N 0.00 0.94 -0.39 4.33 3.57 -0.70 -2.02 116.94 122.67 3dfz h PHE 194 Ca -0.00 -0.42 0.05 0.00 3.53 0.00 0.00 57.97 61.13 3dfz h PHE 194 Cb 0.40 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 3dfz h PHE 194 CO 0.00 1.23 0.12 -0.07 -2.23 0.00 0.00 178.31 177.36 3dfz h LEU 195 N 0.39 0.11 -1.02 0.59 3.38 -1.09 -1.52 115.31 116.15 3dfz h LEU 195 Ca -0.05 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3dfz h LEU 195 Cb 1.32 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 3dfz h LEU 195 CO 0.14 0.10 0.67 1.56 0.09 0.00 0.00 178.44 181.00 3dfz h GLN 196 N 0.27 1.32 -0.23 1.13 4.20 -1.36 -3.09 115.11 117.35 3dfz h GLN 196 Ca 0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3dfz h GLN 196 Cb 0.17 -0.30 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3dfz h GLN 196 CO -0.20 0.87 0.10 0.37 -0.67 0.00 0.00 178.83 179.30 3dfz h GLN 197 N 1.36 0.34 0.00 1.46 4.15 -0.70 -2.62 115.11 119.09 3dfz h GLN 197 Ca 0.37 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3dfz h GLN 197 Cb -0.15 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.48 3dfz h GLN 197 CO -0.08 0.38 0.00 0.44 -1.93 0.00 0.00 178.83 177.63 3dfz n ILE 198 N -4.81 0.00 0.06 2.39 -5.35 -0.63 -2.93 119.36 108.08 3dfz n ILE 198 Ca -0.03 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.24 3dfz n ILE 198 Cb 0.12 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.55 3dfz n ILE 198 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3dfz h GLU 199 N 0.00 0.34 -0.86 6.28 4.39 -1.41 -3.35 114.58 119.98 3dfz h GLU 199 Ca 0.00 -0.59 0.25 0.00 0.34 0.00 0.00 59.36 59.36 3dfz h GLU 199 Cb 0.00 0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3dfz h GLU 199 CO 0.00 1.28 0.61 -0.22 -1.16 0.00 0.00 179.01 179.53 3dfz h LYS 200 N -0.25 0.01 0.00 2.33 1.63 -1.65 -3.53 116.57 115.12 3dfz h LYS 200 Ca -0.20 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 3dfz h LYS 200 Cb 1.78 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 3dfz h LYS 200 CO 0.16 0.01 0.00 0.66 -3.45 0.00 0.00 179.45 176.83