#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f n PHE 12 N 0.00 0.84 0.12 5.64 -0.00 -1.26 -4.29 117.46 118.50 3f1f n PHE 12 Ca 0.00 -0.61 -0.13 0.00 -0.00 0.00 0.00 57.45 56.71 3f1f n PHE 12 Cb 0.00 -0.36 -0.06 0.00 -0.00 0.00 0.00 39.48 39.06 3f1f n PHE 12 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 3f1f h ARG 13 N 0.77 -0.51 -0.83 3.97 0.11 -2.02 -1.03 114.38 114.84 3f1f h ARG 13 Ca 0.11 0.03 0.09 0.00 0.10 0.00 0.00 59.98 60.32 3f1f h ARG 13 Cb 1.32 0.12 -0.12 0.00 1.11 0.00 0.00 29.97 32.39 3f1f h ARG 13 CO 0.27 -0.34 -0.52 -0.39 0.10 0.00 0.00 179.97 179.08 3f1f h VAL 14 N -0.53 0.02 -0.79 0.08 -1.51 -1.95 0.61 116.25 112.16 3f1f h VAL 14 Ca 0.03 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.62 3f1f h VAL 14 Cb 0.56 0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 29.68 3f1f h VAL 14 CO -0.18 0.00 0.52 0.03 -1.23 0.00 0.00 177.57 176.71 3f1f h ARG 15 N -0.11 0.62 0.44 5.19 3.08 -1.71 -1.88 114.38 120.02 3f1f h ARG 15 Ca 0.18 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3f1f h ARG 15 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3f1f h ARG 15 CO -0.85 0.41 -0.21 -0.91 -1.07 0.00 0.00 179.97 177.34 3f1f h ASN 16 N 0.64 -0.50 -0.43 7.04 2.35 0.40 -2.57 115.58 122.50 3f1f h ASN 16 Ca 0.38 -0.10 0.09 0.00 -0.55 0.00 0.00 56.30 56.12 3f1f h ASN 16 Cb 0.59 0.13 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 3f1f h ASN 16 CO -0.15 -0.14 -0.19 -0.09 -1.65 0.00 0.00 177.43 175.21 3f1f h ARG 17 N -0.92 -0.10 -0.94 0.81 2.43 -0.80 0.20 114.38 115.07 3f1f h ARG 17 Ca -0.06 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.32 3f1f h ARG 17 Cb 0.57 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.03 3f1f h ARG 17 CO 0.10 -0.07 0.52 0.82 -1.51 0.00 0.00 179.97 179.83 3f1f h ILE 18 N -0.10 0.62 -0.52 1.20 1.08 -1.38 -0.84 117.51 117.56 3f1f h ILE 18 Ca 0.21 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3f1f h ILE 18 Cb 0.43 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 3f1f h ILE 18 CO -0.50 0.11 0.11 0.11 -0.69 0.00 0.00 178.15 177.28 3f1f h LYS 19 N 0.61 0.81 -0.67 2.37 1.57 -0.18 -0.89 116.57 120.19 3f1f h LYS 19 Ca 0.56 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3f1f h LYS 19 Cb 0.95 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3f1f h LYS 19 CO -0.43 0.74 0.00 0.54 -0.57 0.00 0.00 179.45 179.73 3f1f n ARG 20 N -4.27 1.84 -0.06 3.15 1.74 -0.33 -3.40 116.66 115.32 3f1f n ARG 20 Ca 0.04 -0.78 -0.08 0.00 -0.77 0.00 0.00 57.85 56.25 3f1f n ARG 20 Cb 0.24 -1.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 3f1f n ARG 20 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3f1f n THR 21 N 0.13 1.41 0.00 0.55 -1.04 -0.34 -5.08 114.28 109.91 3f1f n THR 21 Ca 0.07 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 3f1f n THR 21 Cb 0.39 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 3f1f n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3f1f n GLY 22 N 1.65 0.50 3.26 3.41 0.00 -1.22 -5.13 105.19 107.66 3f1f n GLY 22 Ca -0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 3f1f n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1f s ARG 23 N 0.00 1.01 -0.46 1.61 0.52 -1.26 -4.90 118.95 115.47 3f1f s ARG 23 Ca 0.00 -1.14 -0.11 0.00 -0.52 0.00 0.00 55.73 53.96 3f1f s ARG 23 Cb 0.00 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.83 3f1f s ARG 23 CO 0.00 -0.34 0.57 1.28 0.02 0.00 0.00 175.30 176.83 3f1f n LEU 24 N -0.14 -7.20 -4.77 2.53 4.77 -1.26 -4.52 117.00 106.41 3f1f n LEU 24 Ca -0.10 0.36 -0.39 0.00 -0.03 0.00 0.00 56.01 55.85 3f1f n LEU 24 Cb 0.63 -3.18 -0.06 0.00 -2.33 0.00 0.00 43.42 38.48 3f1f n LEU 24 CO 0.25 -1.90 0.48 -0.60 -1.33 0.00 0.00 177.39 174.28 3f1f s ARG 25 N -2.60 4.55 -0.81 3.23 3.52 -0.55 -3.48 118.95 122.82 3f1f s ARG 25 Ca 0.17 1.13 -0.00 0.00 -0.13 0.00 0.00 55.73 56.91 3f1f s ARG 25 Cb -0.05 -3.28 0.20 0.00 -1.56 0.00 0.00 34.95 30.26 3f1f s ARG 25 CO 0.70 0.52 0.66 -1.17 -0.81 0.00 0.00 175.30 175.20 3f1f s LEU 26 N -0.95 5.31 -1.24 -0.88 0.20 -0.41 -1.35 118.68 119.36 3f1f s LEU 26 Ca 0.36 -3.63 -0.20 0.00 0.69 0.00 0.00 54.13 51.35 3f1f s LEU 26 Cb -0.23 -1.83 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 3f1f s LEU 26 CO 0.26 -0.18 1.79 -0.44 -0.29 0.00 0.00 176.35 177.48 3f1f s SER 27 N -0.35 6.21 -0.47 3.68 0.01 -0.61 -2.40 113.70 119.76 3f1f s SER 27 Ca 0.25 -2.11 -0.27 0.00 1.31 0.00 0.00 55.95 55.13 3f1f s SER 27 Cb -0.09 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 3f1f s SER 27 CO -0.12 -1.83 1.94 -0.69 0.41 0.00 0.00 173.24 172.95 3f1f s VAL 28 N 6.57 3.33 0.17 3.43 1.01 -1.24 -3.29 120.40 130.37 3f1f s VAL 28 Ca 0.58 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 3f1f s VAL 28 Cb 0.02 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3f1f s VAL 28 CO 0.09 -0.55 0.39 0.12 0.00 0.00 0.00 175.10 175.15 3f1f s PHE 29 N 8.78 3.48 -0.25 5.22 2.19 -1.16 -4.51 117.98 131.73 3f1f s PHE 29 Ca 0.78 0.48 -0.06 0.00 0.33 0.00 0.00 56.93 58.46 3f1f s PHE 29 Cb -0.18 -1.95 0.12 0.00 -1.31 0.00 0.00 43.02 39.71 3f1f s PHE 29 CO 0.27 0.40 0.50 -0.98 1.83 0.00 0.00 175.22 177.23 3f1f s ARG 30 N -2.96 0.43 0.00 10.12 1.04 -1.26 -0.50 118.95 125.82 3f1f s ARG 30 Ca 0.40 1.04 0.00 0.00 -1.04 0.00 0.00 55.73 56.13 3f1f s ARG 30 Cb -0.12 0.35 0.00 0.00 -2.04 0.00 0.00 34.95 33.14 3f1f s ARG 30 CO 0.27 -0.37 0.00 0.45 -0.04 0.00 0.00 175.30 175.61 3f1f n SER 31 N 5.41 0.00 0.03 -2.89 2.88 -1.19 -4.94 113.62 112.92 3f1f n SER 31 Ca -0.07 -0.05 0.14 0.00 -1.33 0.00 0.00 58.87 57.56 3f1f n SER 31 Cb 0.50 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.49 3f1f n SER 31 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3f1f n LEU 32 N 0.00 0.24 -0.89 2.46 4.77 -1.26 -3.72 117.00 118.60 3f1f n LEU 32 Ca 0.00 0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 56.45 3f1f n LEU 32 Cb 0.00 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3f1f n LEU 32 CO 0.00 -0.04 0.23 1.17 -1.33 0.00 0.00 177.39 177.43 3f1f n LYS 33 N -1.69 0.00 -4.45 3.23 0.00 -1.26 -5.06 118.16 108.92 3f1f n LYS 33 Ca 0.06 -0.99 -0.22 0.00 0.00 0.00 0.00 58.31 57.16 3f1f n LYS 33 Cb 0.36 0.04 -0.11 0.00 0.00 0.00 0.00 35.03 35.33 3f1f n LYS 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3f1f s HIS 34 N 0.00 1.98 -0.29 5.64 3.76 -1.24 -4.82 115.29 120.32 3f1f s HIS 34 Ca 0.08 -0.92 -0.20 0.00 -0.15 0.00 0.00 55.06 53.88 3f1f s HIS 34 Cb 0.10 -1.28 0.15 0.00 1.11 0.00 0.00 32.58 32.66 3f1f s HIS 34 CO -0.04 0.05 1.09 -1.50 -0.85 0.00 0.00 174.74 173.49 3f1f s ILE 35 N -3.24 0.00 0.19 0.60 1.10 -1.26 -3.15 121.20 115.44 3f1f s ILE 35 Ca 0.36 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.54 3f1f s ILE 35 Cb 0.08 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.68 3f1f s ILE 35 CO 0.15 0.00 0.16 -1.22 -2.11 0.00 0.00 174.94 171.92 3f1f n TYR 36 N 2.96 -0.47 -3.22 3.50 4.02 0.34 -2.97 117.16 121.32 3f1f n TYR 36 Ca -0.16 -1.56 0.04 0.00 -0.01 0.00 0.00 57.90 56.21 3f1f n TYR 36 Cb 0.57 0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 40.03 3f1f n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3f1f s ALA 37 N -2.74 -3.27 -0.17 -0.72 0.00 -1.24 -2.98 121.76 110.65 3f1f s ALA 37 Ca 0.22 1.69 -0.09 0.00 0.00 0.00 0.00 51.96 53.78 3f1f s ALA 37 Cb 0.01 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 3f1f s ALA 37 CO 0.16 -1.17 0.14 -0.65 0.00 0.00 0.00 175.76 174.23 3f1f s GLN 38 N 2.52 3.93 -0.73 0.00 1.11 -1.21 -3.27 119.66 122.02 3f1f s GLN 38 Ca -0.02 -0.17 -0.17 0.00 0.01 0.00 0.00 55.36 55.01 3f1f s GLN 38 Cb -0.06 -3.34 0.15 0.00 -1.01 0.00 0.00 33.01 28.75 3f1f s GLN 38 CO -0.14 0.47 0.79 0.42 0.01 0.00 0.00 175.29 176.84 3f1f s ILE 39 N -0.14 5.09 -0.15 1.08 -1.09 -0.39 -1.57 121.20 124.02 3f1f s ILE 39 Ca 0.11 -1.64 -0.07 0.00 -2.23 0.00 0.00 60.65 56.82 3f1f s ILE 39 Cb -0.11 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.19 3f1f s ILE 39 CO 0.00 -1.15 0.09 0.27 -1.23 0.00 0.00 174.94 172.93 3f1f s ILE 40 N 1.77 5.10 -0.34 2.92 -4.36 -0.46 -1.97 121.20 123.86 3f1f s ILE 40 Ca 0.17 0.07 -0.11 0.00 -0.26 0.00 0.00 60.65 60.51 3f1f s ILE 40 Cb -0.16 -3.26 0.00 0.00 1.25 0.00 0.00 42.46 40.29 3f1f s ILE 40 CO -0.02 0.53 0.20 -0.62 0.24 0.00 0.00 174.94 175.26 3f1f s ASP 41 N -0.25 5.76 0.00 4.36 2.15 0.85 -1.48 116.67 128.06 3f1f s ASP 41 Ca 0.09 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.44 3f1f s ASP 41 Cb -0.12 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 3f1f s ASP 41 CO 0.01 -0.27 0.00 0.47 -0.17 0.00 0.00 175.17 175.21 3f1f n ASP 42 N 5.03 0.00 0.00 -0.34 9.92 -1.26 -1.63 116.55 128.27 3f1f n ASP 42 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.13 3f1f n ASP 42 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 3f1f n ASP 42 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3f1f n GLU 43 N 0.00 0.00 0.00 -1.24 2.13 -1.26 -3.69 120.64 116.58 3f1f n GLU 43 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3f1f n GLU 43 Cb 0.00 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.43 3f1f n GLU 43 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3f1f n LYS 44 N -0.49 3.73 -1.90 5.31 0.00 -1.26 -5.08 118.16 118.47 3f1f n LYS 44 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 3f1f n LYS 44 Cb 0.00 -0.62 0.02 0.00 -0.00 0.00 0.00 35.03 34.43 3f1f n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3f1f n GLY 45 N 0.72 0.46 2.87 2.58 0.00 -1.04 -5.08 105.19 105.69 3f1f n GLY 45 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3f1f n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1f s VAL 46 N -3.08 -0.00 0.20 1.61 1.01 -0.65 -5.01 120.40 114.48 3f1f s VAL 46 Ca 0.09 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3f1f s VAL 46 Cb -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 3f1f s VAL 46 CO 0.16 0.00 0.33 -0.89 0.00 0.00 0.00 175.10 174.71 3f1f s THR 47 N 0.06 5.28 0.00 3.92 2.01 -1.26 -0.11 115.64 125.54 3f1f s THR 47 Ca -0.00 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3f1f s THR 47 Cb -0.01 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3f1f s THR 47 CO -0.00 -0.23 0.00 0.18 -0.69 0.00 0.00 174.62 173.88 3f1f n LEU 48 N -1.04 0.00 -4.76 4.42 4.32 -0.83 -4.96 117.00 114.15 3f1f n LEU 48 Ca -0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.50 3f1f n LEU 48 Cb 0.56 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.34 3f1f n LEU 48 CO 0.47 0.00 1.11 -0.69 -1.22 0.00 0.00 177.39 177.06 3f1f s VAL 49 N 0.90 2.33 -0.29 4.08 1.01 -1.26 -4.88 120.40 122.29 3f1f s VAL 49 Ca 0.00 0.31 0.20 0.00 0.00 0.00 0.00 61.98 62.49 3f1f s VAL 49 Cb 0.00 -3.20 0.48 0.00 0.00 0.00 0.00 36.38 33.66 3f1f s VAL 49 CO 0.00 0.06 1.18 -1.54 0.00 0.00 0.00 175.10 174.81 3f1f n SER 50 N 1.26 0.86 -4.55 3.32 3.41 -1.26 -1.27 113.62 115.39 3f1f n SER 50 Ca 0.03 -2.16 -0.29 0.00 -0.26 0.00 0.00 58.87 56.20 3f1f n SER 50 Cb 0.40 -0.21 -0.07 0.00 -0.26 0.00 0.00 64.21 64.07 3f1f n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f1f n ALA 51 N -0.72 0.61 -1.00 7.33 0.00 -1.20 -4.76 120.51 120.77 3f1f n ALA 51 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3f1f n ALA 51 Cb 0.82 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 17.17 3f1f n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3f1f n SER 52 N 15.75 -0.01 0.00 0.00 7.64 -1.26 -3.69 113.62 132.04 3f1f n SER 52 Ca 0.45 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.21 3f1f n SER 52 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3f1f n SER 52 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3f1f n SER 53 N -0.38 0.00 -0.14 6.43 2.88 -1.16 -4.52 113.62 116.73 3f1f n SER 53 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 3f1f n SER 53 Cb 0.00 0.01 0.35 0.00 -0.75 0.00 0.00 64.21 63.82 3f1f n SER 53 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3f1f h LEU 54 N 0.00 0.65 -0.10 2.46 -0.00 -1.88 0.34 115.31 116.78 3f1f h LEU 54 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 3f1f h LEU 54 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 3f1f h LEU 54 CO 0.00 0.45 -0.39 0.00 -0.00 0.00 0.00 178.44 178.50 3f1f h ALA 55 N 1.63 0.76 -1.88 1.53 0.00 -1.90 -3.38 119.26 116.02 3f1f h ALA 55 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3f1f h ALA 55 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3f1f h ALA 55 CO -0.07 0.48 0.00 -0.11 0.00 0.00 0.00 179.25 179.55 3f1f n LEU 56 N -3.22 1.39 0.00 0.00 7.94 0.82 -5.01 117.00 118.92 3f1f n LEU 56 Ca 0.02 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 3f1f n LEU 56 Cb 0.67 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.43 3f1f n LEU 56 CO 0.39 -0.19 0.00 2.29 -1.11 0.00 0.00 177.39 178.77 3f1f n LYS 57 N -1.06 0.00 -0.67 1.96 0.00 0.84 -4.97 118.16 114.26 3f1f n LYS 57 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 3f1f n LYS 57 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 35.03 35.15 3f1f n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3f1f n LEU 58 N -0.00 -1.99 0.00 -5.58 4.32 -1.16 -4.96 117.00 107.63 3f1f n LEU 58 Ca 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 3f1f n LEU 58 Cb 0.00 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 3f1f n LEU 58 CO 0.00 -2.97 0.00 2.29 -1.22 0.00 0.00 177.39 175.49 3f1f n LYS 59 N -0.87 0.00 -3.15 3.23 2.85 -1.26 -4.87 118.16 114.10 3f1f n LYS 59 Ca 0.02 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.30 3f1f n LYS 59 Cb 0.48 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.85 3f1f n LYS 59 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3f1f s GLY 60 N 0.00 -1.29 -0.12 2.58 0.00 -1.26 -5.00 107.32 102.23 3f1f s GLY 60 Ca 0.00 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.25 3f1f s GLY 60 CO 0.00 3.76 0.83 -2.01 0.00 0.00 0.00 173.10 175.67 3f1f n ASN 61 N 4.48 -0.50 0.00 1.64 4.05 -1.26 -4.99 115.26 118.68 3f1f n ASN 61 Ca 0.10 -1.39 0.00 0.00 0.45 0.00 0.00 54.58 53.74 3f1f n ASN 61 Cb 0.57 0.27 0.00 0.00 1.23 0.00 0.00 39.78 41.85 3f1f n ASN 61 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3f1f n LYS 62 N -0.46 0.00 -0.08 1.20 5.02 -1.26 0.24 118.16 122.82 3f1f n LYS 62 Ca -0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 3f1f n LYS 62 Cb 0.62 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.53 3f1f n LYS 62 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3f1f h THR 63 N 0.00 0.00 -0.22 -0.18 1.35 -1.94 0.67 112.91 112.59 3f1f h THR 63 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 3f1f h THR 63 Cb 0.00 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.35 3f1f h THR 63 CO 0.00 0.00 -0.27 -0.33 -0.25 0.00 0.00 175.52 174.67 3f1f h GLU 64 N -0.44 -0.29 -1.01 4.72 3.07 -0.63 -0.93 114.58 119.07 3f1f h GLU 64 Ca 0.05 0.02 0.23 0.00 -0.50 0.00 0.00 59.36 59.16 3f1f h GLU 64 Cb 0.58 0.06 -0.11 0.00 -0.84 0.00 0.00 28.75 28.44 3f1f h GLU 64 CO -0.49 -0.19 0.62 0.28 -1.40 0.00 0.00 179.01 177.83 3f1f h VAL 65 N -0.30 0.59 0.00 3.13 2.07 -1.19 -2.98 116.25 117.57 3f1f h VAL 65 Ca 0.13 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3f1f h VAL 65 Cb 0.49 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3f1f h VAL 65 CO -0.39 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.31 3f1f n ALA 66 N -2.36 -0.29 -0.08 1.67 0.00 0.22 -2.27 120.51 117.40 3f1f n ALA 66 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.67 3f1f n ALA 66 Cb 0.73 0.19 -0.02 0.00 0.00 0.00 0.00 19.45 20.35 3f1f n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1f n ARG 67 N -2.29 -0.08 0.32 0.00 1.74 -1.12 -0.03 116.66 115.20 3f1f n ARG 67 Ca 0.00 0.44 -0.17 0.00 -0.77 0.00 0.00 57.85 57.35 3f1f n ARG 67 Cb 0.00 -0.65 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 3f1f n ARG 67 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3f1f h GLN 68 N 0.00 -0.77 -0.31 5.56 7.50 -1.68 -0.16 115.11 125.26 3f1f h GLN 68 Ca 0.03 0.05 0.09 0.00 0.50 0.00 0.00 58.65 59.32 3f1f h GLN 68 Cb 0.08 0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 3f1f h GLN 68 CO -0.17 -0.51 0.46 -0.24 -1.50 0.00 0.00 178.83 176.86 3f1f h VAL 69 N -0.80 0.24 0.10 -0.54 3.04 -0.00 0.87 116.25 119.15 3f1f h VAL 69 Ca -0.07 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3f1f h VAL 69 Cb 0.63 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3f1f h VAL 69 CO 0.11 0.00 -0.05 1.23 -1.01 0.00 0.00 177.57 177.85 3f1f h GLY 70 N 0.00 -0.14 2.00 3.17 0.00 0.13 -3.23 103.07 105.00 3f1f h GLY 70 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3f1f h GLY 70 CO -0.00 -0.05 0.00 0.54 0.00 0.00 0.00 176.54 177.03 3f1f n ARG 71 N -4.83 0.10 -0.04 4.80 1.74 0.14 -1.95 116.66 116.62 3f1f n ARG 71 Ca -0.07 0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 57.39 3f1f n ARG 71 Cb 0.27 -1.77 -0.09 0.00 -1.02 0.00 0.00 32.46 29.85 3f1f n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f1f h ALA 72 N 2.10 0.14 -0.38 7.54 0.00 0.46 -2.97 119.26 126.15 3f1f h ALA 72 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.58 3f1f h ALA 72 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3f1f h ALA 72 CO 0.00 0.09 0.16 -0.07 0.00 0.00 0.00 179.25 179.43 3f1f h LEU 73 N -0.18 0.21 -0.82 0.00 3.38 -1.43 -3.07 115.31 113.40 3f1f h LEU 73 Ca 0.00 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3f1f h LEU 73 Cb 0.79 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 3f1f h LEU 73 CO 0.04 0.16 -0.39 0.00 0.09 0.00 0.00 178.44 178.34 3f1f h ALA 74 N 1.22 0.00 0.32 1.53 0.00 -1.40 0.41 119.26 121.35 3f1f h ALA 74 Ca 0.17 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3f1f h ALA 74 Cb 0.11 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3f1f h ALA 74 CO -0.15 -0.68 -0.40 0.93 0.00 0.00 0.00 179.25 178.96 3f1f h GLU 75 N -0.08 -0.71 0.00 0.00 4.39 -1.44 -2.23 114.58 114.52 3f1f h GLU 75 Ca 0.28 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3f1f h GLU 75 Cb 0.57 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3f1f h GLU 75 CO -0.86 -0.47 0.00 1.63 -1.16 0.00 0.00 179.01 178.15 3f1f n LYS 76 N -4.77 0.10 0.00 2.33 5.02 0.12 -2.32 118.16 118.63 3f1f n LYS 76 Ca -0.09 0.56 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 3f1f n LYS 76 Cb 0.35 -1.81 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 3f1f n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3f1f h ALA 77 N 2.05 -0.11 0.00 7.82 0.00 0.32 -3.30 119.26 126.04 3f1f h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3f1f h ALA 77 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3f1f h ALA 77 CO 0.00 -0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.43 3f1f n LEU 78 N -3.88 0.16 0.00 0.00 4.77 -1.11 -0.67 117.00 116.27 3f1f n LEU 78 Ca -0.01 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 3f1f n LEU 78 Cb 0.03 -0.58 0.29 0.00 -2.33 0.00 0.00 43.42 40.84 3f1f n LEU 78 CO 0.02 -0.56 0.62 0.00 -1.33 0.00 0.00 177.39 176.14 3f1f n ALA 79 N -1.58 1.72 -0.09 -1.18 0.00 -0.98 -2.83 120.51 115.57 3f1f n ALA 79 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3f1f n ALA 79 Cb 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3f1f n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3f1f n LEU 80 N -1.25 0.02 -1.38 0.00 4.77 0.16 -5.09 117.00 114.22 3f1f n LEU 80 Ca 0.06 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3f1f n LEU 80 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3f1f n LEU 80 CO 0.08 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3f1f n GLY 81 N 0.13 -2.78 3.27 -0.72 0.00 -1.03 -5.13 105.19 98.93 3f1f n GLY 81 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 3f1f n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f1f s ILE 82 N 0.00 0.10 0.00 -0.61 -1.09 -1.25 -4.94 121.20 113.41 3f1f s ILE 82 Ca 0.00 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.46 3f1f s ILE 82 Cb 0.00 -1.34 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 3f1f s ILE 82 CO 0.00 -0.47 0.00 1.17 -1.23 0.00 0.00 174.94 174.41 3f1f n LYS 83 N -0.15 0.00 -1.86 2.79 4.81 -1.26 -4.77 118.16 117.72 3f1f n LYS 83 Ca -0.14 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.87 3f1f n LYS 83 Cb 0.63 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.65 3f1f n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3f1f s GLN 84 N -0.18 3.37 0.00 1.64 2.00 -1.26 -4.81 119.66 120.43 3f1f s GLN 84 Ca 0.00 1.73 0.16 0.00 -2.00 0.00 0.00 55.36 55.25 3f1f s GLN 84 Cb 0.00 -4.23 0.82 0.00 0.80 0.00 0.00 33.01 30.40 3f1f s GLN 84 CO 0.00 -1.82 1.44 0.28 -0.50 0.00 0.00 175.29 174.69 3f1f n VAL 85 N 7.31 0.47 -0.96 1.34 0.31 -1.26 -4.83 118.33 120.71 3f1f n VAL 85 Ca 0.25 0.12 -0.20 0.00 -0.01 0.00 0.00 64.34 64.50 3f1f n VAL 85 Cb 0.46 -0.86 -0.12 0.00 -0.91 0.00 0.00 33.84 32.40 3f1f n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f1f n ALA 86 N -1.25 0.49 -2.67 3.52 0.00 -1.23 -4.77 120.51 114.61 3f1f n ALA 86 Ca 0.08 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 3f1f n ALA 86 Cb 0.12 -1.51 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3f1f n ALA 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3f1f s PHE 87 N 2.58 3.10 -1.13 0.00 5.36 -1.26 -1.29 117.98 125.33 3f1f s PHE 87 Ca 0.86 -0.47 -0.22 0.00 -0.96 0.00 0.00 56.93 56.14 3f1f s PHE 87 Cb -0.66 -3.31 -0.09 0.00 -0.34 0.00 0.00 43.02 38.62 3f1f s PHE 87 CO 0.34 -0.90 1.92 -3.47 -1.46 0.00 0.00 175.22 171.65 3f1f n ASP 88 N 5.94 3.13 -3.35 6.13 4.64 -1.01 -4.82 116.55 127.21 3f1f n ASP 88 Ca -0.07 -2.71 -0.29 0.00 -1.38 0.00 0.00 54.79 50.34 3f1f n ASP 88 Cb 0.46 -1.63 -0.04 0.00 -1.04 0.00 0.00 41.12 38.86 3f1f n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3f1f n ARG 89 N 8.05 1.25 -0.60 -0.67 0.63 -1.26 -3.69 116.66 120.37 3f1f n ARG 89 Ca 0.46 -1.37 -0.06 0.00 -0.92 0.00 0.00 57.85 55.96 3f1f n ARG 89 Cb 0.45 -2.55 0.06 0.00 0.45 0.00 0.00 32.46 30.87 3f1f n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f1f n GLY 90 N 4.24 -0.80 0.09 5.14 0.00 -1.26 -4.34 105.19 108.26 3f1f n GLY 90 Ca 0.39 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3f1f n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1f n PRO 91 N 1.10 0.00 -2.94 1.61 -0.02 -1.26 -4.34 135.00 129.15 3f1f n PRO 91 Ca 0.03 0.17 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 3f1f n PRO 91 Cb 0.11 -0.43 -0.05 0.00 -0.02 0.00 0.00 33.50 33.11 3f1f n PRO 91 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3f1f s TYR 92 N -2.48 3.79 0.58 6.00 1.51 -1.26 -5.05 117.35 120.43 3f1f s TYR 92 Ca -0.00 1.56 -0.20 0.00 -1.01 0.00 0.00 57.07 57.41 3f1f s TYR 92 Cb 0.02 -2.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 3f1f s TYR 92 CO 0.08 0.32 1.31 0.21 -1.11 0.00 0.00 175.55 176.36 3f1f s LYS 93 N -0.32 2.98 -0.78 -0.62 2.20 -1.26 -4.90 119.74 117.04 3f1f s LYS 93 Ca 0.39 2.10 -0.25 0.00 -0.36 0.00 0.00 55.97 57.85 3f1f s LYS 93 Cb -0.22 -2.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.97 3f1f s LYS 93 CO 0.25 -1.27 1.91 -0.47 -0.36 0.00 0.00 175.35 175.41 3f1f s TYR 94 N -1.38 1.74 0.00 4.03 5.04 -1.26 -4.58 117.35 120.94 3f1f s TYR 94 Ca 0.75 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 3f1f s TYR 94 Cb -0.37 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 37.87 3f1f s TYR 94 CO 0.43 -1.98 0.00 1.58 -1.34 0.00 0.00 175.55 174.23 3f1f n HIS 95 N 13.48 0.00 0.00 4.97 -0.00 -1.26 -4.88 115.22 127.52 3f1f n HIS 95 Ca 0.32 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.50 3f1f n HIS 95 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 3f1f n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3f1f n GLY 96 N 0.32 0.16 0.30 1.57 0.00 -1.26 -4.10 105.19 102.18 3f1f n GLY 96 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3f1f n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3f1f h ARG 97 N 0.00 0.22 -0.01 1.61 3.08 -1.92 0.64 114.38 118.00 3f1f h ARG 97 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3f1f h ARG 97 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3f1f h ARG 97 CO 0.00 0.15 -0.01 -0.39 -1.07 0.00 0.00 179.97 178.65 3f1f h VAL 98 N 0.23 1.36 0.74 2.04 -1.51 -1.87 0.12 116.25 117.35 3f1f h VAL 98 Ca 0.12 -1.06 -0.04 0.00 -1.23 0.00 0.00 66.70 64.49 3f1f h VAL 98 Cb 0.18 2.06 0.01 0.00 -2.13 0.00 0.00 31.29 31.40 3f1f h VAL 98 CO -0.02 0.28 -0.35 0.50 -1.23 0.00 0.00 177.57 176.74 3f1f h LYS 99 N -0.42 -0.95 -0.95 5.19 3.64 -1.42 -2.56 116.57 119.10 3f1f h LYS 99 Ca 0.00 0.07 0.20 0.00 -1.27 0.00 0.00 60.65 59.65 3f1f h LYS 99 Cb 0.46 0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.41 3f1f h LYS 99 CO 0.00 -0.63 0.61 0.00 -2.27 0.00 0.00 179.45 177.17 3f1f h ALA 100 N -0.76 2.05 -0.89 5.00 0.00 0.16 0.73 119.26 125.55 3f1f h ALA 100 Ca -0.10 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3f1f h ALA 100 Cb 0.77 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3f1f h ALA 100 CO 0.17 -0.37 0.54 1.25 0.00 0.00 0.00 179.25 180.84 3f1f h LEU 101 N 0.52 0.82 0.04 0.00 7.12 -0.57 -2.15 115.31 121.09 3f1f h LEU 101 Ca 0.51 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.55 3f1f h LEU 101 Cb 1.12 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 3f1f h LEU 101 CO -0.24 0.49 -0.02 0.00 -0.13 0.00 0.00 178.44 178.53 3f1f h ALA 102 N 1.45 -0.06 -0.41 1.25 0.00 0.52 -2.71 119.26 119.30 3f1f h ALA 102 Ca 0.41 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3f1f h ALA 102 Cb 0.30 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3f1f h ALA 102 CO -0.22 -0.22 -0.14 -1.91 0.00 0.00 0.00 179.25 176.76 3f1f n GLU 103 N -4.83 -0.07 0.05 0.00 2.13 0.16 0.12 120.64 118.20 3f1f n GLU 103 Ca -0.09 0.64 -0.16 0.00 0.66 0.00 0.00 57.16 58.22 3f1f n GLU 103 Cb 0.30 -0.95 -0.14 0.00 0.27 0.00 0.00 31.44 30.92 3f1f n GLU 103 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3f1f h GLY 104 N 0.00 0.24 1.42 8.31 0.00 -1.58 -2.94 103.07 108.52 3f1f h GLY 104 Ca 0.17 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.92 3f1f h GLY 104 CO -0.42 0.54 0.25 0.00 0.00 0.00 0.00 176.54 176.91 3f1f h ALA 105 N 0.56 1.57 0.00 3.60 0.00 0.13 0.11 119.26 125.23 3f1f h ALA 105 Ca -0.24 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.30 3f1f h ALA 105 Cb 2.00 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 3f1f h ALA 105 CO 0.15 -0.32 -2.38 0.54 0.00 0.00 0.00 179.25 177.24 3f1f n ARG 106 N -3.37 0.68 -0.12 0.00 1.74 -0.46 -4.38 116.66 110.76 3f1f n ARG 106 Ca 0.01 0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 3f1f n ARG 106 Cb 0.35 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 3f1f n ARG 106 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3f1f h GLU 107 N 0.00 -0.13 -0.01 5.56 4.39 -0.80 -3.52 114.58 120.08 3f1f h GLU 107 Ca -0.54 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3f1f h GLU 107 Cb 2.19 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.87 3f1f h GLU 107 CO 0.02 -0.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.19