#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sph s GLN 3 N 0.00 0.53 -0.04 0.00 1.03 -1.26 -0.99 119.66 118.93 1sph s GLN 3 Ca 0.00 -0.33 -0.04 0.00 0.04 0.00 0.00 55.36 55.03 1sph s GLN 3 Cb 0.00 0.23 0.01 0.00 0.03 0.00 0.00 33.01 33.28 1sph s GLN 3 CO 0.00 -0.13 0.11 0.21 -2.54 0.00 0.00 175.29 172.94 1sph s LYS 4 N -1.34 0.13 -0.06 9.60 2.20 -0.53 -4.99 119.74 124.75 1sph s LYS 4 Ca -0.14 0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1sph s LYS 4 Cb -0.07 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 1sph s LYS 4 CO 0.02 -0.02 0.03 0.99 -0.36 0.00 0.00 175.35 176.02 1sph s THR 5 N 0.03 4.49 0.17 3.43 2.01 -1.26 -0.89 115.64 123.61 1sph s THR 5 Ca -0.00 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1sph s THR 5 Cb -0.01 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1sph s THR 5 CO 0.00 0.53 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.08 1sph s PHE 6 N -0.99 1.22 -0.16 4.92 0.08 -0.46 -4.99 117.98 117.61 1sph s PHE 6 Ca 0.16 -0.96 -0.03 0.00 0.12 0.00 0.00 56.93 56.22 1sph s PHE 6 Cb -0.12 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 1sph s PHE 6 CO 0.06 -0.14 -0.06 0.21 -0.10 0.00 0.00 175.22 175.18 1sph s LYS 7 N -3.88 3.56 -0.01 0.44 2.20 -1.26 -1.60 119.74 119.20 1sph s LYS 7 Ca 0.22 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1sph s LYS 7 Cb 0.05 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1sph s LYS 7 CO 0.03 0.19 1.06 0.08 -0.36 0.00 0.00 175.35 176.35 1sph s VAL 8 N 0.48 4.59 -0.22 4.02 1.01 0.14 -2.53 120.40 127.89 1sph s VAL 8 Ca -0.05 1.86 0.04 0.00 0.00 0.00 0.00 61.98 63.83 1sph s VAL 8 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1sph s VAL 8 CO 0.03 0.11 0.20 0.35 0.00 0.00 0.00 175.10 175.79 1sph n THR 9 N 4.09 0.00 -1.70 3.92 -2.24 -0.55 -0.61 114.28 117.20 1sph n THR 9 Ca 0.08 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 1sph n THR 9 Cb 0.49 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 1sph n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sph n ALA 10 N -1.01 1.52 -0.12 6.98 0.00 -0.73 -4.89 120.51 122.24 1sph n ALA 10 Ca 0.01 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.82 1sph n ALA 10 Cb 0.07 -2.32 0.23 0.00 0.00 0.00 0.00 19.45 17.43 1sph n ALA 10 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sph h ASP 11 N 3.94 0.74 -0.69 0.00 3.32 -1.92 -2.54 116.42 119.26 1sph h ASP 11 Ca -0.46 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 1sph h ASP 11 Cb 1.26 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.54 1sph h ASP 11 CO 0.73 0.69 0.18 -1.20 -1.72 0.00 0.00 179.24 177.93 1sph n SER 12 N -4.32 5.15 0.00 6.45 7.64 -1.26 -4.59 113.62 122.70 1sph n SER 12 Ca 0.04 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.79 1sph n SER 12 Cb 0.18 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1sph n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sph n GLY 13 N 0.09 -0.41 3.38 0.23 0.00 -0.96 -4.13 105.19 103.39 1sph n GLY 13 Ca 0.37 -1.08 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 1sph n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sph s ILE 14 N 0.00 5.55 0.00 -0.61 1.01 0.83 -4.83 121.20 123.15 1sph s ILE 14 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 60.65 57.80 1sph s ILE 14 Cb 0.00 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1sph s ILE 14 CO 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 174.94 173.63 1sph n HIS 15 N 4.11 -1.60 0.00 3.97 1.44 -1.26 -4.55 115.22 117.34 1sph n HIS 15 Ca 0.25 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.92 1sph n HIS 15 Cb 0.43 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.51 1sph n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sph h ALA 16 N -0.97 -0.59 -0.05 1.59 0.00 -1.95 -0.54 119.26 116.75 1sph h ALA 16 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1sph h ALA 16 Cb 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1sph h ALA 16 CO 0.00 -0.65 -0.24 -0.09 0.00 0.00 0.00 179.25 178.27 1sph h ARG 17 N -0.19 -0.34 -0.80 0.00 2.43 -1.98 -2.22 114.38 111.28 1sph h ARG 17 Ca 0.01 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1sph h ARG 17 Cb 0.21 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1sph h ARG 17 CO -0.13 -0.23 0.49 -1.35 -1.51 0.00 0.00 179.97 177.24 1sph h PRO 18 N -0.35 0.87 -1.00 0.20 0.11 -1.90 -1.64 132.00 128.29 1sph h PRO 18 Ca 0.08 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.15 1sph h PRO 18 Cb 0.46 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.33 1sph h PRO 18 CO -0.25 0.57 0.66 0.00 -0.21 0.00 0.00 178.00 178.77 1sph h ALA 19 N 1.38 1.27 -0.08 -0.75 0.00 -0.67 -2.33 119.26 118.09 1sph h ALA 19 Ca 0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1sph h ALA 19 Cb 0.17 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1sph h ALA 19 CO -0.17 0.64 0.03 1.15 0.00 0.00 0.00 179.25 180.90 1sph h THR 20 N 1.34 1.12 -0.70 0.00 2.02 -0.75 -0.59 112.91 115.35 1sph h THR 20 Ca 0.37 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1sph h THR 20 Cb -0.14 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1sph h THR 20 CO -0.08 0.10 0.42 -0.37 0.37 0.00 0.00 175.52 175.96 1sph h VAL 21 N -0.01 1.20 0.03 3.16 -1.51 -1.33 -0.02 116.25 117.76 1sph h VAL 21 Ca 0.03 -0.43 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1sph h VAL 21 Cb 0.13 0.21 0.00 0.00 -2.13 0.00 0.00 31.29 29.50 1sph h VAL 21 CO -0.00 0.20 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.46 1sph h LEU 22 N 0.96 -0.03 -0.68 4.19 3.38 -1.00 -2.73 115.31 119.41 1sph h LEU 22 Ca 0.25 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1sph h LEU 22 Cb -0.04 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1sph h LEU 22 CO -0.05 0.20 0.43 0.58 0.09 0.00 0.00 178.44 179.69 1sph h VAL 23 N -0.25 1.10 -0.33 1.22 2.07 -0.84 -2.52 116.25 116.70 1sph h VAL 23 Ca -0.00 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1sph h VAL 23 Cb 0.24 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1sph h VAL 23 CO 0.01 0.15 -0.09 1.56 0.02 0.00 0.00 177.57 179.22 1sph h GLN 24 N 0.84 -0.01 -0.04 1.57 1.08 -0.96 -1.25 115.11 116.35 1sph h GLN 24 Ca 0.27 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1sph h GLN 24 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1sph h GLN 24 CO -0.10 -0.01 0.00 1.15 -0.95 0.00 0.00 178.83 178.92 1sph h THR 25 N -0.02 1.24 -0.12 -0.54 2.02 -1.42 -3.14 112.91 110.94 1sph h THR 25 Ca 0.16 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1sph h THR 25 Cb 0.26 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1sph h THR 25 CO -0.35 0.20 0.09 0.00 0.37 0.00 0.00 175.52 175.83 1sph h ALA 26 N 0.72 2.06 0.00 6.16 0.00 -1.27 -2.42 119.26 124.50 1sph h ALA 26 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sph h ALA 26 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sph h ALA 26 CO 0.00 -0.08 0.00 0.77 0.00 0.00 0.00 179.25 179.94 1sph h SER 27 N 0.05 0.00 1.04 0.00 0.02 -1.17 -3.07 113.55 110.41 1sph h SER 27 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1sph h SER 27 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1sph h SER 27 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 1sph n LYS 28 N -3.00 0.03 -4.73 3.45 5.02 -0.91 -4.92 118.16 113.09 1sph n LYS 28 Ca -0.00 0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 1sph n LYS 28 Cb 0.24 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 1sph n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1sph s TYR 29 N -3.01 2.78 -1.25 2.13 1.51 -1.16 -5.06 117.35 113.28 1sph s TYR 29 Ca 0.14 -0.10 -0.17 0.00 -1.01 0.00 0.00 57.07 55.92 1sph s TYR 29 Cb 0.18 -1.63 0.10 0.00 -0.11 0.00 0.00 41.96 40.50 1sph s TYR 29 CO 0.53 0.26 1.63 0.34 -1.11 0.00 0.00 175.55 177.20 1sph s ASP 30 N -0.94 6.89 -0.29 2.29 2.15 -1.26 -4.82 116.67 120.70 1sph s ASP 30 Ca 0.13 -2.57 -0.24 0.00 0.43 0.00 0.00 52.55 50.30 1sph s ASP 30 Cb -0.11 -2.52 0.14 0.00 -0.30 0.00 0.00 42.92 40.13 1sph s ASP 30 CO 0.02 -1.05 1.08 0.00 -0.17 0.00 0.00 175.17 175.05 1sph s ALA 31 N 3.43 -2.05 -0.23 3.66 0.00 -1.26 -1.51 121.76 123.79 1sph s ALA 31 Ca 0.50 1.89 -0.29 0.00 0.00 0.00 0.00 51.96 54.06 1sph s ALA 31 Cb 0.02 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 1sph s ALA 31 CO 0.05 -0.23 1.25 0.34 0.00 0.00 0.00 175.76 177.16 1sph s ASP 32 N 0.35 6.85 -0.28 0.00 2.15 0.15 -4.74 116.67 121.15 1sph s ASP 32 Ca 0.02 1.44 -0.08 0.00 0.43 0.00 0.00 52.55 54.35 1sph s ASP 32 Cb -0.05 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1sph s ASP 32 CO -0.09 -0.88 0.11 -0.69 -0.17 0.00 0.00 175.17 173.45 1sph s VAL 33 N 3.82 4.45 -0.02 1.11 1.01 -1.26 -0.52 120.40 128.99 1sph s VAL 33 Ca 0.54 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1sph s VAL 33 Cb -0.19 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1sph s VAL 33 CO 0.17 0.19 -0.22 0.20 0.00 0.00 0.00 175.10 175.44 1sph s ASN 34 N 1.61 3.37 -0.15 3.32 -0.87 -0.80 -0.72 114.94 120.69 1sph s ASN 34 Ca 0.05 -0.40 -0.02 0.00 -1.57 0.00 0.00 52.86 50.92 1sph s ASN 34 Cb -0.16 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.25 40.56 1sph s ASN 34 CO 0.05 0.32 -0.09 -0.22 -2.57 0.00 0.00 177.10 174.59 1sph s LEU 35 N -0.73 2.90 -0.06 0.60 0.20 0.02 -1.75 118.68 119.84 1sph s LEU 35 Ca 0.11 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.68 1sph s LEU 35 Cb -0.10 -1.68 0.00 0.00 -0.43 0.00 0.00 46.19 43.98 1sph s LEU 35 CO -0.00 0.13 -0.19 -0.70 -0.29 0.00 0.00 176.35 175.31 1sph s GLU 36 N 0.55 2.15 -0.08 1.98 2.12 -0.55 -0.10 118.70 124.76 1sph s GLU 36 Ca -0.06 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.57 1sph s GLU 36 Cb -0.15 -1.77 0.05 0.00 0.26 0.00 0.00 34.13 32.52 1sph s GLU 36 CO 0.03 0.20 0.16 -0.47 -0.54 0.00 0.00 175.26 174.64 1sph s TYR 37 N 0.23 -0.19 -1.44 5.30 5.04 -0.97 -0.62 117.35 124.71 1sph s TYR 37 Ca -0.10 0.62 -0.09 0.00 -2.44 0.00 0.00 57.07 55.06 1sph s TYR 37 Cb -0.14 -0.24 0.05 0.00 0.35 0.00 0.00 41.96 41.98 1sph s TYR 37 CO 0.04 -0.27 0.94 0.09 -1.34 0.00 0.00 175.55 175.02 1sph n ASN 38 N 5.23 -3.97 0.00 4.32 3.02 -1.26 -1.62 115.26 120.97 1sph n ASN 38 Ca -0.06 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1sph n ASN 38 Cb 0.50 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1sph n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sph n GLY 39 N -1.69 2.26 3.71 7.41 0.00 -1.26 -4.97 105.19 110.65 1sph n GLY 39 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1sph n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sph s LYS 40 N -0.02 4.16 -0.05 1.61 1.02 -0.64 -5.09 119.74 120.72 1sph s LYS 40 Ca 0.00 -0.19 0.04 0.00 0.02 0.00 0.00 55.97 55.85 1sph s LYS 40 Cb 0.00 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1sph s LYS 40 CO 0.00 0.21 -0.18 0.99 -0.92 0.00 0.00 175.35 175.45 1sph s THR 41 N 0.60 2.73 0.08 2.17 2.01 -1.26 -2.28 115.64 119.69 1sph s THR 41 Ca 0.09 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1sph s THR 41 Cb -0.12 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1sph s THR 41 CO 0.01 0.58 -0.10 0.68 -0.69 0.00 0.00 174.62 175.10 1sph s VAL 42 N -0.53 0.86 0.17 3.82 -7.23 0.85 -4.97 120.40 113.37 1sph s VAL 42 Ca 0.07 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 1sph s VAL 42 Cb -0.11 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.52 1sph s VAL 42 CO 0.01 -0.52 1.26 0.21 -0.31 0.00 0.00 175.10 175.74 1sph s ASN 43 N -2.28 6.99 0.10 4.85 3.84 -1.26 -0.80 114.94 126.38 1sph s ASN 43 Ca 0.02 2.27 0.27 0.00 0.21 0.00 0.00 52.86 55.63 1sph s ASN 43 Cb -0.04 -2.60 0.82 0.00 -0.55 0.00 0.00 41.25 38.88 1sph s ASN 43 CO -0.00 -0.47 1.69 -0.11 -2.79 0.00 0.00 177.10 175.42 1sph n LEU 44 N 2.90 0.49 -0.33 3.21 7.94 0.10 -3.46 117.00 127.85 1sph n LEU 44 Ca 0.06 0.41 0.03 0.00 -1.11 0.00 0.00 56.01 55.40 1sph n LEU 44 Cb 0.44 -0.34 0.07 0.00 0.53 0.00 0.00 43.42 44.12 1sph n LEU 44 CO 0.57 -0.06 0.55 0.29 -1.11 0.00 0.00 177.39 177.63 1sph n LYS 45 N -1.88 1.40 -4.02 1.96 5.02 -1.26 -4.00 118.16 115.38 1sph n LYS 45 Ca 0.06 -0.59 -0.26 0.00 -2.02 0.00 0.00 58.31 55.50 1sph n LYS 45 Cb 0.39 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 34.08 1sph n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sph s ASP 46 N -0.96 2.04 0.50 4.39 2.15 -1.22 -5.01 116.67 118.55 1sph s ASP 46 Ca 0.11 -0.28 0.29 0.00 0.43 0.00 0.00 52.55 53.10 1sph s ASP 46 Cb 0.06 -0.80 1.20 0.00 -0.30 0.00 0.00 42.92 43.07 1sph s ASP 46 CO 0.07 -0.10 1.93 0.16 -0.17 0.00 0.00 175.17 177.07 1sph h ILE 47 N 6.15 0.29 0.19 4.11 -0.00 -1.89 -3.26 117.51 123.10 1sph h ILE 47 Ca -0.30 -0.77 -0.00 0.00 -0.00 0.00 0.00 64.86 63.79 1sph h ILE 47 Cb 1.14 1.60 -0.02 0.00 -0.00 0.00 0.00 36.82 39.54 1sph h ILE 47 CO 0.41 0.11 -0.29 0.24 -0.00 0.00 0.00 178.15 178.62 1sph h MET 48 N 0.00 -0.48 0.00 0.16 2.86 -1.96 -0.79 114.93 114.72 1sph h MET 48 Ca -0.00 0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1sph h MET 48 Cb 0.59 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1sph h MET 48 CO 0.01 -0.32 -0.17 0.78 1.06 0.00 0.00 176.91 178.27 1sph h GLY 49 N -0.50 0.00 0.87 8.32 0.00 -1.88 -2.46 103.07 107.42 1sph h GLY 49 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1sph h GLY 49 CO -0.09 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 174.37 1sph h VAL 50 N 0.00 1.11 -0.97 4.60 2.07 -1.50 -3.13 116.25 118.42 1sph h VAL 50 Ca -0.00 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.34 1sph h VAL 50 Cb 0.36 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 1sph h VAL 50 CO 0.02 0.08 0.59 0.24 0.02 0.00 0.00 177.57 178.52 1sph h MET 51 N -0.12 0.86 -0.66 1.57 2.07 -0.96 -2.85 114.93 114.84 1sph h MET 51 Ca 0.00 -0.05 0.07 0.00 -2.07 0.00 0.00 59.70 57.65 1sph h MET 51 Cb 0.13 -0.19 -0.04 0.00 -1.87 0.00 0.00 31.60 29.63 1sph h MET 51 CO -0.00 0.57 0.44 0.66 1.07 0.00 0.00 176.91 179.65 1sph h SER 52 N 0.89 0.57 0.32 1.22 4.64 -1.39 -2.50 113.55 117.31 1sph h SER 52 Ca 0.50 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.77 1sph h SER 52 Cb 0.57 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1sph h SER 52 CO -0.30 0.37 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.71 1sph h LEU 53 N 0.65 0.00 -1.88 5.97 3.38 -1.56 -3.48 115.31 118.39 1sph h LEU 53 Ca 0.29 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.94 1sph h LEU 53 Cb 0.30 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.22 1sph h LEU 53 CO -0.09 0.25 -0.80 0.61 0.09 0.00 0.00 178.44 178.50 1sph n GLY 54 N -0.69 -0.57 3.66 0.83 0.00 -0.94 -4.91 105.19 102.58 1sph n GLY 54 Ca -0.02 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1sph n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sph s ILE 55 N -3.39 4.82 0.51 -0.61 1.01 -1.26 -5.00 121.20 117.28 1sph s ILE 55 Ca 0.12 1.74 0.09 0.00 0.00 0.00 0.00 60.65 62.60 1sph s ILE 55 Cb -0.02 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.32 1sph s ILE 55 CO 0.74 -0.04 0.68 0.00 0.00 0.00 0.00 174.94 176.32 1sph s ALA 56 N 2.51 4.61 0.53 9.38 0.00 -1.26 -0.12 121.76 137.41 1sph s ALA 56 Ca 0.40 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 1sph s ALA 56 Cb -0.16 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 1sph s ALA 56 CO 0.11 -0.60 1.12 1.17 0.00 0.00 0.00 175.76 177.55 1sph n LYS 57 N -2.05 1.33 0.00 0.00 4.81 -1.26 -2.41 118.16 118.58 1sph n LYS 57 Ca 0.12 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1sph n LYS 57 Cb 0.61 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1sph n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sph n GLY 58 N 1.06 2.19 3.81 3.14 0.00 0.22 -5.00 105.19 110.61 1sph n GLY 58 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1sph n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sph s ALA 59 N -2.30 2.63 -0.10 4.61 0.00 -1.01 -4.69 121.76 120.90 1sph s ALA 59 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1sph s ALA 59 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1sph s ALA 59 CO 0.00 -1.19 -0.10 -1.21 0.00 0.00 0.00 175.76 173.27 1sph s GLU 60 N -4.71 3.03 0.05 0.00 2.02 -1.26 0.24 118.70 118.07 1sph s GLU 60 Ca 0.60 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 55.00 1sph s GLU 60 Cb -0.15 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 1sph s GLU 60 CO 0.49 0.45 -0.07 0.96 0.02 0.00 0.00 175.26 177.11 1sph s ILE 61 N -0.26 0.55 -0.09 -1.63 -4.36 -0.63 -4.66 121.20 110.12 1sph s ILE 61 Ca 0.03 -1.24 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 1sph s ILE 61 Cb -0.13 -0.81 -0.03 0.00 1.25 0.00 0.00 42.46 42.74 1sph s ILE 61 CO 0.03 -0.49 -0.04 -0.89 0.24 0.00 0.00 174.94 173.79 1sph s THR 62 N -1.84 3.90 -0.12 8.37 2.01 0.21 -1.35 115.64 126.82 1sph s THR 62 Ca -0.06 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1sph s THR 62 Cb -0.07 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1sph s THR 62 CO -0.01 0.58 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.73 1sph s ILE 63 N -0.59 2.95 0.16 1.82 1.01 -0.07 -1.48 121.20 125.00 1sph s ILE 63 Ca 0.09 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.12 1sph s ILE 63 Cb -0.12 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1sph s ILE 63 CO 0.02 0.53 -0.18 -0.94 0.00 0.00 0.00 174.94 174.37 1sph s SER 64 N 0.24 2.65 -0.03 3.58 1.04 -0.72 -1.45 113.70 119.01 1sph s SER 64 Ca -0.10 -0.86 -0.06 0.00 0.48 0.00 0.00 55.95 55.41 1sph s SER 64 Cb -0.16 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1sph s SER 64 CO 0.06 -0.04 0.14 0.00 0.98 0.00 0.00 173.24 174.38 1sph s ALA 65 N -2.05 -0.34 -0.16 5.32 0.00 -0.16 -1.90 121.76 122.47 1sph s ALA 65 Ca 0.15 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 1sph s ALA 65 Cb -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1sph s ALA 65 CO 0.06 -0.14 0.36 -1.54 0.00 0.00 0.00 175.76 174.50 1sph s SER 66 N -0.69 -0.27 0.00 0.00 1.04 0.32 -0.96 113.70 113.14 1sph s SER 66 Ca -0.08 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1sph s SER 66 Cb -0.05 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1sph s SER 66 CO 0.01 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1sph n GLY 67 N 4.69 0.33 0.22 7.32 0.00 -1.26 -0.67 105.19 115.81 1sph n GLY 67 Ca -0.18 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 1sph n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sph h ALA 68 N 0.00 0.66 -0.89 4.61 0.00 -1.98 -2.95 119.26 118.71 1sph h ALA 68 Ca 0.00 0.10 -0.39 0.00 0.00 0.00 0.00 54.91 54.61 1sph h ALA 68 Cb 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 17.79 17.66 1sph h ALA 68 CO 0.00 -0.26 0.50 -0.25 0.00 0.00 0.00 179.25 179.24 1sph n ASP 69 N -5.07 4.22 -0.14 0.00 8.00 -0.57 -4.83 116.55 118.17 1sph n ASP 69 Ca 0.07 -3.44 -0.03 0.00 0.71 0.00 0.00 54.79 52.10 1sph n ASP 69 Cb 0.26 -0.80 0.20 0.00 -0.02 0.00 0.00 41.12 40.76 1sph n ASP 69 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1sph h GLU 70 N 1.70 0.84 -0.19 -1.24 4.11 -1.72 -1.03 114.58 117.05 1sph h GLU 70 Ca 0.49 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.73 1sph h GLU 70 Cb 2.66 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.77 1sph h GLU 70 CO 0.96 0.74 0.03 -0.91 0.07 0.00 0.00 179.01 179.89 1sph h ASN 71 N 0.81 0.31 -0.64 3.06 2.35 -1.88 -1.14 115.58 118.45 1sph h ASN 71 Ca 0.18 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1sph h ASN 71 Cb 0.26 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1sph h ASN 71 CO -0.01 0.50 0.16 0.44 -1.65 0.00 0.00 177.43 176.87 1sph h ASP 72 N 0.11 0.98 0.34 5.81 5.19 -1.94 -0.78 116.42 126.13 1sph h ASP 72 Ca 0.06 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1sph h ASP 72 Cb 0.33 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1sph h ASP 72 CO 0.00 0.95 -0.24 0.00 -3.12 0.00 0.00 179.24 176.83 1sph h ALA 73 N 1.17 -0.57 -0.76 3.45 0.00 -1.04 -1.83 119.26 119.68 1sph h ALA 73 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sph h ALA 73 Cb 0.35 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1sph h ALA 73 CO 0.00 -0.84 0.42 1.25 0.00 0.00 0.00 179.25 180.08 1sph h LEU 74 N -0.57 0.94 -1.16 0.00 5.85 -1.03 -2.36 115.31 116.97 1sph h LEU 74 Ca -0.03 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1sph h LEU 74 Cb 0.49 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1sph h LEU 74 CO 0.01 0.75 -0.27 0.78 -0.34 0.00 0.00 178.44 179.37 1sph h ASN 75 N 1.06 0.25 -0.19 1.25 -0.26 -1.00 -2.58 115.58 114.11 1sph h ASN 75 Ca 0.27 -0.08 -0.11 0.00 -0.56 0.00 0.00 56.30 55.82 1sph h ASN 75 Cb 0.02 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1sph h ASN 75 CO -0.04 0.52 -0.30 0.00 -1.06 0.00 0.00 177.43 176.55 1sph h ALA 76 N 1.50 0.29 -0.75 -0.83 0.00 -0.84 -2.74 119.26 115.89 1sph h ALA 76 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1sph h ALA 76 Cb 0.60 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1sph h ALA 76 CO 0.04 0.31 0.45 -0.07 0.00 0.00 0.00 179.25 179.99 1sph h LEU 77 N 0.19 0.90 -0.73 0.00 3.38 -1.38 -0.69 115.31 116.98 1sph h LEU 77 Ca 0.02 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1sph h LEU 77 Cb 0.89 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1sph h LEU 77 CO 0.07 0.70 -0.62 -0.08 0.09 0.00 0.00 178.44 178.59 1sph h GLU 78 N 1.04 0.05 -0.12 1.13 4.81 -1.48 -0.91 114.58 119.11 1sph h GLU 78 Ca 0.27 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1sph h GLU 78 Cb -0.04 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1sph h GLU 78 CO -0.05 0.65 -0.06 0.93 -0.73 0.00 0.00 179.01 179.75 1sph h GLU 79 N 0.03 0.25 -0.58 1.92 4.39 -1.03 -2.42 114.58 117.14 1sph h GLU 79 Ca -0.01 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.60 1sph h GLU 79 Cb 1.11 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1sph h GLU 79 CO 0.08 0.60 0.37 1.15 -1.16 0.00 0.00 179.01 180.05 1sph h THR 80 N -0.11 1.11 -0.77 1.13 2.02 -1.08 -0.67 112.91 114.54 1sph h THR 80 Ca 0.02 -0.25 0.10 0.00 0.77 0.00 0.00 66.41 67.05 1sph h THR 80 Cb 0.53 0.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 1sph h THR 80 CO 0.02 0.14 0.42 0.24 0.37 0.00 0.00 175.52 176.70 1sph h MET 81 N 0.74 0.67 0.00 6.66 2.86 -1.12 0.26 114.93 125.01 1sph h MET 81 Ca 0.22 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1sph h MET 81 Cb -0.03 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1sph h MET 81 CO -0.07 0.45 -0.00 0.87 1.06 0.00 0.00 176.91 179.21 1sph h LYS 82 N 0.70 -0.00 -0.66 1.72 1.57 -1.27 -0.25 116.57 118.38 1sph h LYS 82 Ca 0.38 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1sph h LYS 82 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1sph h LYS 82 CO -0.26 0.84 0.29 0.77 -0.57 0.00 0.00 179.45 180.52 1sph h SER 83 N -0.87 0.86 -0.20 0.86 0.02 -1.08 -2.64 113.55 110.50 1sph h SER 83 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1sph h SER 83 Cb 0.84 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1sph h SER 83 CO 0.00 0.74 0.00 -0.62 -1.14 0.00 0.00 176.83 175.82 1sph n GLU 84 N -4.33 1.88 -3.50 3.45 -0.58 0.91 -4.93 120.64 113.54 1sph n GLU 84 Ca 0.06 -1.32 -0.19 0.00 -0.42 0.00 0.00 57.16 55.29 1sph n GLU 84 Cb 0.15 -1.42 0.06 0.00 -0.57 0.00 0.00 31.44 29.67 1sph n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sph n GLY 85 N 1.20 -0.55 0.11 0.62 0.00 -1.00 -4.94 105.19 100.64 1sph n GLY 85 Ca 0.17 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 1sph n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sph n LEU 86 N -4.00 2.02 0.00 0.99 4.77 -0.16 -4.10 117.00 116.52 1sph n LEU 86 Ca -0.23 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1sph n LEU 86 Cb 0.66 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1sph n LEU 86 CO 0.64 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1sph n GLY 87 N 2.24 0.65 0.00 -0.72 0.00 -0.84 -1.48 105.19 105.03 1sph n GLY 87 Ca -0.37 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1sph n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48