#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8h s SER 2 N 0.00 6.48 -0.13 1.61 1.04 -1.26 -5.01 113.70 116.43 2d8h s SER 2 Ca 0.00 0.57 -0.16 0.00 0.48 0.00 0.00 55.95 56.84 2d8h s SER 2 Cb 0.00 -2.13 -0.25 0.00 0.10 0.00 0.00 66.02 63.74 2d8h s SER 2 CO 0.00 0.34 0.46 0.77 0.98 0.00 0.00 173.24 175.78 2d8h h SER 3 N 5.23 0.29 -4.60 7.02 4.64 -2.16 -3.51 113.55 120.47 2d8h h SER 3 Ca -0.52 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 60.00 2d8h h SER 3 Cb 1.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2d8h h SER 3 CO 0.62 1.62 0.00 0.61 -0.87 0.00 0.00 176.83 178.81 2d8h n GLY 4 N 1.72 3.75 2.99 -0.77 0.00 -1.26 -5.13 105.19 106.49 2d8h n GLY 4 Ca -0.27 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 2d8h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8h s SER 5 N 0.00 -0.13 -0.10 1.61 0.01 -1.26 -5.15 113.70 108.69 2d8h s SER 5 Ca 0.00 0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.51 2d8h s SER 5 Cb 0.00 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.50 2d8h s SER 5 CO 0.00 -0.05 -0.06 -0.55 0.41 0.00 0.00 173.24 172.98 2d8h s SER 6 N 0.19 2.04 -0.30 2.44 0.15 -1.26 -5.11 113.70 111.85 2d8h s SER 6 Ca -0.01 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.42 2d8h s SER 6 Cb -0.02 -0.75 0.08 0.00 -1.71 0.00 0.00 66.02 63.61 2d8h s SER 6 CO -0.01 -0.13 -0.03 -0.83 1.20 0.00 0.00 173.24 173.44 2d8h s GLY 7 N 1.74 1.79 0.17 9.45 0.00 -1.26 -5.10 107.32 114.10 2d8h s GLY 7 Ca 0.04 -2.12 0.11 0.00 0.00 0.00 0.00 44.72 42.76 2d8h s GLY 7 CO -0.07 0.76 -0.23 -2.38 0.00 0.00 0.00 173.10 171.18 2d8h s HIS 8 N 1.02 2.35 0.14 1.90 -0.00 -1.26 -5.12 115.29 114.32 2d8h s HIS 8 Ca 0.00 -0.35 -0.30 0.00 -0.00 0.00 0.00 55.06 54.42 2d8h s HIS 8 Cb -0.20 -1.19 -0.07 0.00 -0.00 0.00 0.00 32.58 31.12 2d8h s HIS 8 CO -0.06 0.45 1.01 -1.21 -0.00 0.00 0.00 174.74 174.93 2d8h s GLU 9 N -2.50 4.68 -0.60 -0.38 2.02 -1.26 -4.95 118.70 115.70 2d8h s GLU 9 Ca 0.19 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.71 2d8h s GLU 9 Cb -0.09 -3.34 0.34 0.00 0.10 0.00 0.00 34.13 31.14 2d8h s GLU 9 CO 0.09 0.19 2.11 -2.13 0.02 0.00 0.00 175.26 175.54 2d8h n ARG 10 N 2.55 2.47 -0.79 1.61 0.63 -1.26 -4.68 116.66 117.19 2d8h n ARG 10 Ca 0.02 -2.85 -0.11 0.00 -0.92 0.00 0.00 57.85 53.99 2d8h n ARG 10 Cb 0.48 -2.12 0.01 0.00 0.45 0.00 0.00 32.46 31.28 2d8h n ARG 10 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2d8h n VAL 11 N -0.37 2.55 0.04 5.15 0.24 -1.26 -4.01 118.33 120.66 2d8h n VAL 11 Ca 0.52 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2d8h n VAL 11 Cb 0.55 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 2d8h n VAL 11 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2d8h n GLY 12 N 0.84 -0.08 3.33 7.63 0.00 -1.26 -5.05 105.19 110.60 2d8h n GLY 12 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2d8h n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d8h n ASN 13 N -2.78 -5.99 -4.48 1.61 3.02 -1.26 -4.94 115.26 100.44 2d8h n ASN 13 Ca 0.00 -0.45 -0.43 0.00 -0.03 0.00 0.00 54.58 53.66 2d8h n ASN 13 Cb 0.02 -4.64 -0.05 0.00 -0.61 0.00 0.00 39.78 34.50 2d8h n ASN 13 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2d8h s LEU 14 N -6.67 4.49 -0.01 3.41 1.98 -1.26 -4.87 118.68 115.75 2d8h s LEU 14 Ca 0.49 -0.69 0.06 0.00 -2.89 0.00 0.00 54.13 51.10 2d8h s LEU 14 Cb -0.22 -2.61 -0.24 0.00 0.66 0.00 0.00 46.19 43.78 2d8h s LEU 14 CO 0.61 -1.15 0.78 0.78 -1.89 0.00 0.00 176.35 175.48 2d8h h ASN 15 N 9.25 0.14 -4.33 3.68 2.35 -2.00 -3.47 115.58 121.19 2d8h h ASN 15 Ca -0.27 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.13 2d8h h ASN 15 Cb 1.08 -0.04 -0.22 0.00 0.05 0.00 0.00 38.32 39.18 2d8h h ASN 15 CO 1.07 1.20 -0.21 0.00 -1.65 0.00 0.00 177.43 177.84 2d8h s GLN 16 N -2.62 0.59 1.19 0.81 -2.07 -1.26 -5.17 119.66 111.13 2d8h s GLN 16 Ca -0.07 0.30 -0.19 0.00 -1.82 0.00 0.00 55.36 53.58 2d8h s GLN 16 Cb 0.08 0.28 0.28 0.00 -1.09 0.00 0.00 33.01 32.56 2d8h s GLN 16 CO 0.82 -0.12 1.11 -1.25 -1.32 0.00 0.00 175.29 174.53 2d8h s PRO 17 N -0.40 -1.11 0.29 9.60 0.04 -1.26 -5.06 135.00 137.10 2d8h s PRO 17 Ca -0.05 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.04 2d8h s PRO 17 Cb -0.03 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.86 2d8h s PRO 17 CO 0.03 -3.65 0.12 0.42 0.04 0.00 0.00 177.00 173.95 2d8h s ILE 18 N -3.01 3.65 -0.17 0.56 1.01 0.40 -4.88 121.20 118.76 2d8h s ILE 18 Ca 0.71 -1.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 2d8h s ILE 18 Cb -0.10 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2d8h s ILE 18 CO 0.56 -0.30 -0.15 -1.61 0.00 0.00 0.00 174.94 173.44 2d8h s GLU 19 N -3.79 3.18 0.04 2.79 2.02 -1.26 0.91 118.70 122.58 2d8h s GLU 19 Ca 0.34 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.63 2d8h s GLU 19 Cb -0.06 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2d8h s GLU 19 CO 0.23 -0.08 -0.15 0.14 0.02 0.00 0.00 175.26 175.42 2d8h s VAL 20 N 1.05 1.16 -0.26 2.63 -7.23 -1.05 -4.74 120.40 111.94 2d8h s VAL 20 Ca -0.01 -1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2d8h s VAL 20 Cb -0.15 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 2d8h s VAL 20 CO -0.04 0.03 0.20 -0.89 -0.31 0.00 0.00 175.10 174.09 2d8h s THR 21 N -0.84 5.31 -0.16 5.32 2.01 -1.13 -1.14 115.64 125.02 2d8h s THR 21 Ca 0.02 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 2d8h s THR 21 Cb -0.08 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 2d8h s THR 21 CO 0.01 0.28 2.12 0.00 -0.69 0.00 0.00 174.62 176.34 2d8h s ALA 22 N 1.52 2.95 0.23 7.40 0.00 -0.91 -2.41 121.76 130.54 2d8h s ALA 22 Ca 0.08 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 2d8h s ALA 22 Cb -0.15 -4.01 0.23 0.00 0.00 0.00 0.00 23.12 19.19 2d8h s ALA 22 CO 0.09 -2.47 1.59 -0.07 0.00 0.00 0.00 175.76 174.89 2d8h h LEU 23 N 13.85 0.56 -8.52 0.00 3.38 -1.19 1.35 115.31 124.73 2d8h h LEU 23 Ca -0.42 -0.25 -0.22 0.00 0.09 0.00 0.00 57.88 57.07 2d8h h LEU 23 Cb 1.23 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 2d8h h LEU 23 CO 0.96 0.91 -0.64 -0.31 0.09 0.00 0.00 178.44 179.45 2d8h s TYR 24 N -4.20 1.01 0.70 1.13 2.02 -1.18 -4.71 117.35 112.11 2d8h s TYR 24 Ca -0.07 -1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 55.29 2d8h s TYR 24 Cb 0.12 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2d8h s TYR 24 CO 0.82 -0.49 1.07 -1.54 -1.57 0.00 0.00 175.55 173.84 2d8h s SER 25 N -3.10 5.21 0.12 2.29 1.04 -1.26 -3.57 113.70 114.42 2d8h s SER 25 Ca 0.28 1.70 -0.19 0.00 0.48 0.00 0.00 55.95 58.22 2d8h s SER 25 Cb 0.07 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.73 2d8h s SER 25 CO 0.05 -1.56 0.47 0.12 0.98 0.00 0.00 173.24 173.30 2d8h s PHE 26 N -2.92 -0.33 -0.22 5.02 5.36 -0.88 -4.88 117.98 119.13 2d8h s PHE 26 Ca 0.60 0.13 -0.04 0.00 -0.96 0.00 0.00 56.93 56.66 2d8h s PHE 26 Cb -0.15 0.35 0.09 0.00 -0.34 0.00 0.00 43.02 42.97 2d8h s PHE 26 CO 0.53 -0.72 0.18 -1.21 -1.46 0.00 0.00 175.22 172.54 2d8h s GLU 27 N -3.47 0.18 -0.72 10.12 2.02 -1.26 -3.45 118.70 122.12 2d8h s GLU 27 Ca 0.01 -0.03 -0.31 0.00 0.02 0.00 0.00 54.97 54.66 2d8h s GLU 27 Cb 0.01 -1.28 -0.15 0.00 0.10 0.00 0.00 34.13 32.80 2d8h s GLU 27 CO -0.10 -0.77 2.51 0.41 0.02 0.00 0.00 175.26 177.33 2d8h n GLY 28 N 5.30 -0.12 0.26 -1.39 0.00 -1.16 -4.77 105.19 103.30 2d8h n GLY 28 Ca -0.05 0.96 -0.03 0.00 0.00 0.00 0.00 46.02 46.90 2d8h n GLY 28 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2d8h h GLN 29 N 14.46 0.57 -6.59 1.61 1.08 -1.95 -3.44 115.11 120.85 2d8h h GLN 29 Ca -0.14 -0.17 -0.50 0.00 -1.45 0.00 0.00 58.65 56.39 2d8h h GLN 29 Cb 1.30 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2d8h h GLN 29 CO 1.25 0.68 -0.10 -0.65 -0.95 0.00 0.00 178.83 179.06 2d8h s GLN 30 N -4.75 3.57 0.00 1.46 -0.21 -1.26 -4.96 119.66 113.51 2d8h s GLN 30 Ca -0.08 -0.06 0.12 0.00 0.02 0.00 0.00 55.36 55.36 2d8h s GLN 30 Cb 0.14 -2.59 0.70 0.00 1.00 0.00 0.00 33.01 32.26 2d8h s GLN 30 CO 0.79 0.11 1.13 -0.35 -2.12 0.00 0.00 175.29 174.84 2d8h n PRO 31 N -1.47 0.49 -0.64 2.91 -0.04 -1.26 -2.41 135.00 132.57 2d8h n PRO 31 Ca -0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.50 2d8h n PRO 31 Cb 0.55 -1.37 0.13 0.00 -0.04 0.00 0.00 33.50 32.77 2d8h n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8h n GLY 32 N -0.02 3.73 2.94 0.55 0.00 -1.26 -5.06 105.19 106.06 2d8h n GLY 32 Ca 0.09 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 2d8h n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8h n ASP 33 N -0.75 2.26 -4.36 1.61 9.92 -1.01 -3.37 116.55 120.85 2d8h n ASP 33 Ca 0.14 -2.42 -0.29 0.00 -0.53 0.00 0.00 54.79 51.69 2d8h n ASP 33 Cb 0.77 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 41.05 2d8h n ASP 33 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2d8h s LEU 34 N 0.00 2.26 -0.21 0.64 2.96 -1.18 -4.44 118.68 118.71 2d8h s LEU 34 Ca 0.27 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2d8h s LEU 34 Cb -0.02 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 2d8h s LEU 34 CO 0.17 0.20 -0.02 0.20 -1.32 0.00 0.00 176.35 175.57 2d8h s ASN 35 N -1.74 4.57 0.24 3.68 0.01 -1.26 -3.00 114.94 117.44 2d8h s ASN 35 Ca 0.12 -0.29 -0.01 0.00 -0.71 0.00 0.00 52.86 51.97 2d8h s ASN 35 Cb -0.10 -1.78 -0.03 0.00 0.41 0.00 0.00 41.25 39.75 2d8h s ASN 35 CO 0.04 0.03 0.22 0.72 -1.51 0.00 0.00 177.10 176.61 2d8h s PHE 36 N 1.19 1.16 0.17 2.20 -0.71 -1.22 -5.00 117.98 115.77 2d8h s PHE 36 Ca 0.03 -1.34 0.06 0.00 -1.04 0.00 0.00 56.93 54.63 2d8h s PHE 36 Cb -0.14 -0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 41.16 2d8h s PHE 36 CO 0.00 -0.76 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.35 2d8h s GLN 37 N -3.94 1.18 -0.46 1.99 -0.21 -1.26 -2.06 119.66 114.89 2d8h s GLN 37 Ca 0.37 -1.51 -0.29 0.00 0.02 0.00 0.00 55.36 53.95 2d8h s GLN 37 Cb 0.05 -0.84 -0.09 0.00 1.00 0.00 0.00 33.01 33.13 2d8h s GLN 37 CO 0.15 0.12 2.36 0.00 -2.12 0.00 0.00 175.29 175.80 2d8h n ALA 38 N -0.27 1.03 0.00 6.09 0.00 -1.23 -0.72 120.51 125.40 2d8h n ALA 38 Ca -0.09 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2d8h n ALA 38 Cb 0.60 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2d8h n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8h n GLY 39 N 6.12 0.75 3.70 0.00 0.00 0.46 -4.93 105.19 111.30 2d8h n GLY 39 Ca 0.40 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 2d8h n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8h s ASP 40 N -1.04 6.50 -0.09 1.61 1.01 0.10 -4.41 116.67 120.36 2d8h s ASP 40 Ca 0.00 2.68 -0.29 0.00 0.71 0.00 0.00 52.55 55.65 2d8h s ASP 40 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2d8h s ASP 40 CO 0.00 -0.92 0.97 -0.13 0.21 0.00 0.00 175.17 175.30 2d8h s ARG 41 N 1.93 4.44 -0.20 8.23 1.81 -1.26 -2.15 118.95 131.74 2d8h s ARG 41 Ca 0.75 1.34 -0.04 0.00 -1.72 0.00 0.00 55.73 56.05 2d8h s ARG 41 Cb -0.45 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 30.51 2d8h s ARG 41 CO 0.33 -0.25 -0.03 0.42 -0.68 0.00 0.00 175.30 175.09 2d8h s ILE 42 N 1.79 3.59 -0.81 1.52 1.01 -0.29 -4.74 121.20 123.27 2d8h s ILE 42 Ca 0.47 -0.43 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 2d8h s ILE 42 Cb -0.19 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.70 2d8h s ILE 42 CO 0.19 0.43 1.36 -0.89 0.00 0.00 0.00 174.94 176.04 2d8h s THR 43 N 1.18 3.75 -0.18 2.92 2.01 0.10 -2.54 115.64 122.88 2d8h s THR 43 Ca 0.02 0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2d8h s THR 43 Cb -0.14 -4.89 -0.05 0.00 0.01 0.00 0.00 72.50 67.42 2d8h s THR 43 CO -0.00 -1.82 1.99 -0.69 -0.69 0.00 0.00 174.62 173.41 2d8h s VAL 44 N 5.78 3.21 -0.20 3.82 1.01 0.26 0.15 120.40 134.43 2d8h s VAL 44 Ca 0.40 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.65 2d8h s VAL 44 Cb -0.06 -3.23 -0.21 0.00 0.00 0.00 0.00 36.38 32.88 2d8h s VAL 44 CO 0.09 -0.12 0.03 2.30 0.00 0.00 0.00 175.10 177.40 2d8h n ILE 45 N 6.98 1.55 -3.55 2.22 -5.35 0.04 -0.45 119.36 120.80 2d8h n ILE 45 Ca 0.25 -0.66 -0.22 0.00 -0.27 0.00 0.00 62.75 61.85 2d8h n ILE 45 Cb 0.44 -1.28 -0.15 0.00 -1.74 0.00 0.00 39.64 36.92 2d8h n ILE 45 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2d8h s SER 46 N -6.41 1.78 0.44 7.28 0.15 -0.15 -4.87 113.70 111.93 2d8h s SER 46 Ca -0.25 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.05 2d8h s SER 46 Cb 0.08 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2d8h s SER 46 CO 0.70 -0.34 0.12 -1.59 1.20 0.00 0.00 173.24 173.34 2d8h s LYS 47 N 2.24 2.04 0.43 5.44 -2.85 -1.26 0.17 119.74 125.96 2d8h s LYS 47 Ca 0.05 -2.27 0.02 0.00 -1.00 0.00 0.00 55.97 52.77 2d8h s LYS 47 Cb -0.16 -0.73 -0.01 0.00 -2.06 0.00 0.00 37.83 34.88 2d8h s LYS 47 CO -0.11 -0.52 0.07 0.25 0.10 0.00 0.00 175.35 175.15 2d8h n THR 48 N -1.02 0.00 0.23 3.79 -2.24 -1.26 -5.00 114.28 108.78 2d8h n THR 48 Ca -0.09 -2.28 -0.10 0.00 -2.27 0.00 0.00 64.05 59.32 2d8h n THR 48 Cb 0.65 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 2d8h n THR 48 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2d8h h ASP 49 N 1.37 -0.53 -3.74 3.42 2.03 -2.01 -3.44 116.42 113.52 2d8h h ASP 49 Ca -0.35 0.02 -0.55 0.00 -0.73 0.00 0.00 57.03 55.41 2d8h h ASP 49 Cb 1.19 0.14 0.12 0.00 -0.83 0.00 0.00 39.33 39.95 2d8h h ASP 49 CO 0.57 -0.24 0.59 -0.24 -1.03 0.00 0.00 179.24 178.89 2d8h n SER 50 N -4.48 2.93 -0.06 4.15 2.88 -1.26 -4.96 113.62 112.82 2d8h n SER 50 Ca -0.08 1.12 -0.06 0.00 -1.33 0.00 0.00 58.87 58.52 2d8h n SER 50 Cb 0.25 -1.55 -0.04 0.00 -0.75 0.00 0.00 64.21 62.12 2d8h n SER 50 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2d8h h HIS 51 N 2.20 0.00 -0.85 0.66 2.07 -1.99 -3.35 115.15 113.90 2d8h h HIS 51 Ca -0.49 0.00 0.33 0.00 -2.85 0.00 0.00 60.37 57.36 2d8h h HIS 51 Cb 1.28 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.11 2d8h h HIS 51 CO 0.49 0.36 0.36 1.19 -3.07 0.00 0.00 177.93 177.25 2d8h n PHE 52 N -4.69 0.89 -0.65 6.12 3.72 -1.26 -3.81 117.46 117.77 2d8h n PHE 52 Ca -0.06 1.01 -0.31 0.00 -0.05 0.00 0.00 57.45 58.03 2d8h n PHE 52 Cb 0.21 -1.35 0.18 0.00 -0.94 0.00 0.00 39.48 37.58 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2d8h n ASP 53 N -4.99 -1.63 -4.82 4.37 8.00 -1.26 -4.44 116.55 111.78 2d8h n ASP 53 Ca 0.29 0.09 -0.38 0.00 0.71 0.00 0.00 54.79 55.50 2d8h n ASP 53 Cb 0.99 -1.20 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 2d8h n ASP 53 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2d8h s TRP 54 N -2.40 3.73 0.43 1.24 0.52 -1.26 -2.98 118.94 118.22 2d8h s TRP 54 Ca 0.61 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.84 2d8h s TRP 54 Cb -0.20 -2.34 -0.03 0.00 -1.15 0.00 0.00 33.47 29.75 2d8h s TRP 54 CO 0.65 0.61 0.27 -1.58 0.02 0.00 0.00 176.95 176.91 2d8h s TRP 55 N -0.98 2.54 -0.25 -1.98 0.51 0.89 -4.77 118.94 114.90 2d8h s TRP 55 Ca 0.25 -0.59 0.02 0.00 -2.12 0.00 0.00 56.10 53.66 2d8h s TRP 55 Cb -0.17 -2.02 0.05 0.00 -0.81 0.00 0.00 33.47 30.51 2d8h s TRP 55 CO 0.14 0.02 -0.11 -2.00 -0.51 0.00 0.00 176.95 174.49 2d8h s GLU 56 N -4.02 2.45 0.34 4.98 2.12 0.13 -0.80 118.70 123.91 2d8h s GLU 56 Ca 0.42 -1.21 0.01 0.00 0.36 0.00 0.00 54.97 54.56 2d8h s GLU 56 Cb 0.01 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 2d8h s GLU 56 CO 0.24 -0.49 0.05 0.41 -0.54 0.00 0.00 175.26 174.93 2d8h n GLY 57 N 4.51 3.60 3.13 -1.50 0.00 -1.08 -0.78 105.19 113.05 2d8h n GLY 57 Ca -0.15 -2.20 -0.24 0.00 0.00 0.00 0.00 46.02 43.42 2d8h n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8h s LYS 58 N -3.27 1.43 -0.05 1.61 1.02 0.12 -3.07 119.74 117.54 2d8h s LYS 58 Ca 0.08 -0.57 -0.02 0.00 0.02 0.00 0.00 55.97 55.48 2d8h s LYS 58 Cb 0.00 -1.33 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2d8h s LYS 58 CO 0.05 0.30 0.11 -1.17 -0.92 0.00 0.00 175.35 173.72 2d8h s LEU 59 N -0.20 0.67 -1.35 3.17 2.96 -1.02 0.02 118.68 122.93 2d8h s LEU 59 Ca 0.02 0.22 -0.12 0.00 -0.22 0.00 0.00 54.13 54.03 2d8h s LEU 59 Cb -0.08 0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.82 2d8h s LEU 59 CO 0.00 -0.16 0.43 0.54 -1.32 0.00 0.00 176.35 175.84 2d8h n ARG 60 N 4.42 -1.52 -3.50 1.98 5.12 -1.26 -0.68 116.66 121.22 2d8h n ARG 60 Ca -0.23 0.24 -0.21 0.00 -1.93 0.00 0.00 57.85 55.72 2d8h n ARG 60 Cb 0.51 -3.69 0.08 0.00 -1.16 0.00 0.00 32.46 28.20 2d8h n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d8h n GLY 61 N -2.13 -0.44 3.31 -0.13 0.00 -1.26 -5.01 105.19 99.53 2d8h n GLY 61 Ca -0.23 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 2d8h n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d8h s GLN 62 N -6.01 1.33 -0.10 1.61 -0.21 0.15 -5.17 119.66 111.27 2d8h s GLN 62 Ca 0.41 -1.69 -0.08 0.00 0.02 0.00 0.00 55.36 54.03 2d8h s GLN 62 Cb -0.18 -0.41 0.03 0.00 1.00 0.00 0.00 33.01 33.45 2d8h s GLN 62 CO 0.70 -0.19 0.25 0.99 -2.12 0.00 0.00 175.29 174.92 2d8h s THR 63 N -3.60 -0.01 0.00 -0.19 2.01 -1.26 -2.44 115.64 110.14 2d8h s THR 63 Ca 0.31 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2d8h s THR 63 Cb 0.07 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.22 2d8h s THR 63 CO 0.10 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2d8h n GLY 64 N 3.30 -0.21 3.91 4.40 0.00 -1.18 -4.62 105.19 110.79 2d8h n GLY 64 Ca -0.16 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 2d8h n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2d8h s ILE 65 N -2.00 5.41 0.01 -0.61 -4.36 -1.22 -2.65 121.20 115.78 2d8h s ILE 65 Ca 0.00 -0.21 -0.25 0.00 -0.26 0.00 0.00 60.65 59.93 2d8h s ILE 65 Cb 0.00 -3.57 0.06 0.00 1.25 0.00 0.00 42.46 40.19 2d8h s ILE 65 CO 0.00 0.26 0.56 0.72 0.24 0.00 0.00 174.94 176.73 2d8h s PHE 66 N -1.39 -0.50 -0.06 1.37 -0.12 0.02 -3.13 117.98 114.17 2d8h s PHE 66 Ca 0.30 0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 57.58 2d8h s PHE 66 Cb -0.13 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 2d8h s PHE 66 CO 0.22 -0.61 1.50 -1.25 -0.05 0.00 0.00 175.22 175.02 2d8h s PRO 67 N -1.89 4.22 0.66 1.99 0.04 -1.26 -0.07 135.00 138.68 2d8h s PRO 67 Ca -0.08 2.01 0.41 0.00 0.04 0.00 0.00 61.00 63.37 2d8h s PRO 67 Cb -0.01 -3.81 2.22 0.00 0.04 0.00 0.00 34.50 32.94 2d8h s PRO 67 CO 0.03 -0.74 2.27 0.00 0.04 0.00 0.00 177.00 178.60 2d8h h ALA 68 N 8.73 1.12 0.00 8.56 0.00 -1.63 0.62 119.26 136.67 2d8h h ALA 68 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2d8h h ALA 68 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2d8h h ALA 68 CO 0.94 -0.08 0.00 -1.71 0.00 0.00 0.00 179.25 178.40 2d8h n ASN 69 N -3.10 0.24 -0.58 0.00 5.15 -1.26 -1.52 115.26 114.18 2d8h n ASN 69 Ca -0.03 0.56 0.12 0.00 -0.60 0.00 0.00 54.58 54.64 2d8h n ASN 69 Cb 0.14 -0.61 0.21 0.00 -0.53 0.00 0.00 39.78 38.99 2d8h n ASN 69 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2d8h n TYR 70 N -1.77 0.00 -4.48 1.20 4.02 0.21 -4.95 117.16 111.39 2d8h n TYR 70 Ca 0.03 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.67 2d8h n TYR 70 Cb 0.17 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.38 2d8h n TYR 70 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2d8h s VAL 71 N -2.25 0.66 -0.03 -0.72 -7.23 -0.58 -0.66 120.40 109.59 2d8h s VAL 71 Ca 0.26 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2d8h s VAL 71 Cb 0.19 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.72 2d8h s VAL 71 CO 0.44 0.00 -0.01 0.28 -0.31 0.00 0.00 175.10 175.50 2d8h s THR 72 N -3.27 0.24 -0.51 5.32 -1.32 -1.01 -4.78 115.64 110.31 2d8h s THR 72 Ca 0.27 0.04 -0.02 0.00 -1.21 0.00 0.00 61.69 60.76 2d8h s THR 72 Cb 0.04 -0.31 0.13 0.00 -1.51 0.00 0.00 72.50 70.85 2d8h s THR 72 CO 0.15 0.15 0.31 -0.32 -2.21 0.00 0.00 174.62 172.70 2d8h s MET 73 N 0.92 2.24 -0.10 7.08 1.75 -1.26 -2.83 119.30 127.10 2d8h s MET 73 Ca -0.10 -2.17 -0.05 0.00 -1.25 0.00 0.00 55.69 52.13 2d8h s MET 73 Cb -0.13 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 33.86 2d8h s MET 73 CO -0.01 -1.12 -0.13 -1.71 -0.65 0.00 0.00 175.02 171.40 2d8h n ASN 74 N 4.04 0.78 -4.09 1.11 5.15 -1.26 -5.02 115.26 115.97 2d8h n ASN 74 Ca 0.03 0.12 -0.30 0.00 -0.60 0.00 0.00 54.58 53.82 2d8h n ASN 74 Cb 0.39 -0.29 -0.03 0.00 -0.53 0.00 0.00 39.78 39.33 2d8h n ASN 74 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2d8h n SER 75 N -3.43 -1.62 -3.78 1.20 2.88 -1.26 -4.95 113.62 102.66 2d8h n SER 75 Ca -0.20 -1.02 -0.13 0.00 -1.33 0.00 0.00 58.87 56.20 2d8h n SER 75 Cb 0.64 -2.88 -0.09 0.00 -0.75 0.00 0.00 64.21 61.13 2d8h n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d8h s GLY 76 N -3.89 -0.14 0.00 0.46 0.00 -1.26 -5.02 107.32 97.46 2d8h s GLY 76 Ca 0.33 0.41 0.15 0.00 0.00 0.00 0.00 44.72 45.61 2d8h s GLY 76 CO 0.91 0.24 1.39 -1.55 0.00 0.00 0.00 173.10 174.09 2d8h n PRO 77 N 1.77 0.28 -0.18 2.90 -0.04 -1.26 -4.08 135.00 134.39 2d8h n PRO 77 Ca -0.19 0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 2d8h n PRO 77 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2d8h n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8h n SER 78 N -1.21 -0.46 -4.79 3.54 2.88 -1.26 -4.30 113.62 108.02 2d8h n SER 78 Ca 0.08 1.07 -0.34 0.00 -1.33 0.00 0.00 58.87 58.35 2d8h n SER 78 Cb 0.10 -0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 63.24 2d8h n SER 78 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8h s SER 79 N -4.40 5.80 0.00 -3.46 0.01 -1.26 -5.28 113.70 105.10 2d8h s SER 79 Ca -0.05 0.22 0.25 0.00 1.31 0.00 0.00 55.95 57.68 2d8h s SER 79 Cb 0.05 -1.71 0.47 0.00 0.21 0.00 0.00 66.02 65.03 2d8h s SER 79 CO 0.27 0.31 1.42 0.61 0.41 0.00 0.00 173.24 176.26