#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 5.07 0.57 1.61 1.04 -1.26 -5.14 113.70 115.59 2d8h s SER 2 Ca 0.00 -0.85 0.05 0.00 0.48 0.00 0.00 55.95 55.62 2d8h s SER 2 Cb 0.00 -0.03 0.07 0.00 0.10 0.00 0.00 66.02 66.16 2d8h s SER 2 CO 0.00 -1.03 0.79 -0.55 0.98 0.00 0.00 173.24 173.43 2d8h s SER 3 N -4.40 5.08 0.00 7.02 0.15 -1.26 -5.12 113.70 115.17 2d8h s SER 3 Ca 0.51 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2d8h s SER 3 Cb -0.05 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2d8h s SER 3 CO 0.31 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 174.06 2d8h n GLY 4 N -2.33 0.74 3.38 9.45 0.00 -1.26 -5.10 105.19 110.07 2d8h n GLY 4 Ca 0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.03 -0.64 -0.32 1.61 0.01 -1.26 -5.13 113.70 106.95 2d8h s SER 5 Ca 0.00 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.34 2d8h s SER 5 Cb 0.00 0.95 0.10 0.00 0.21 0.00 0.00 66.02 67.28 2d8h s SER 5 CO 0.00 -0.21 0.07 -0.55 0.41 0.00 0.00 173.24 172.96 2d8h s SER 6 N 1.43 4.33 -0.29 2.44 0.15 -1.26 -5.10 113.70 115.41 2d8h s SER 6 Ca -0.09 -1.83 -0.22 0.00 0.70 0.00 0.00 55.95 54.50 2d8h s SER 6 Cb -0.07 -1.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.02 2d8h s SER 6 CO -0.14 -0.39 0.73 -0.83 1.20 0.00 0.00 173.24 173.81 2d8h s GLY 7 N 1.30 1.75 0.02 9.45 0.00 -1.26 -5.00 107.32 113.57 2d8h s GLY 7 Ca 0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 44.72 44.06 2d8h s GLY 7 CO -0.17 1.64 1.84 1.42 0.00 0.00 0.00 173.10 177.84 2d8h n HIS 8 N 6.02 2.42 -2.88 1.90 -0.00 -1.26 -4.91 115.22 116.51 2d8h n HIS 8 Ca 0.02 -0.06 -0.43 0.00 -0.00 0.00 0.00 57.72 57.25 2d8h n HIS 8 Cb 0.48 -2.69 -0.03 0.00 -0.00 0.00 0.00 29.99 27.75 2d8h n HIS 8 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2d8h s GLU 9 N 3.34 3.25 0.06 -0.41 2.02 -1.26 -5.01 118.70 120.68 2d8h s GLU 9 Ca 0.87 -1.10 0.08 0.00 0.02 0.00 0.00 54.97 54.85 2d8h s GLU 9 Cb -0.60 -4.44 -0.03 0.00 0.10 0.00 0.00 34.13 29.16 2d8h s GLU 9 CO 0.45 -1.81 -0.22 -0.98 0.02 0.00 0.00 175.26 172.72 2d8h s ARG 10 N 3.68 1.87 0.39 1.61 1.70 -1.26 -5.14 118.95 121.80 2d8h s ARG 10 Ca 0.25 -1.09 0.08 0.00 -0.47 0.00 0.00 55.73 54.50 2d8h s ARG 10 Cb -0.14 -2.07 -0.01 0.00 -0.57 0.00 0.00 34.95 32.16 2d8h s ARG 10 CO 0.04 0.51 0.45 0.14 -1.08 0.00 0.00 175.30 175.36 2d8h s VAL 11 N -0.91 3.11 0.00 4.99 -7.23 -1.26 -4.96 120.40 114.14 2d8h s VAL 11 Ca 0.14 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2d8h s VAL 11 Cb -0.10 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2d8h s VAL 11 CO 0.04 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2d8h n GLY 12 N -1.64 0.50 3.50 2.32 0.00 -1.26 -5.06 105.19 103.55 2d8h n GLY 12 Ca 0.04 -0.18 -0.55 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 1.89 -3.96 1.61 3.02 -1.26 -4.85 115.26 111.71 2d8h n ASN 13 Ca 0.00 0.70 -0.43 0.00 -0.03 0.00 0.00 54.58 54.83 2d8h n ASN 13 Cb 0.00 -1.13 0.01 0.00 -0.61 0.00 0.00 39.78 38.05 2d8h n ASN 13 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2d8h n LEU 14 N 7.75 6.56 -0.31 3.41 0.00 -1.26 -4.84 117.00 128.30 2d8h n LEU 14 Ca 0.39 -5.20 0.17 0.00 0.00 0.00 0.00 56.01 51.37 2d8h n LEU 14 Cb 0.13 -1.27 0.36 0.00 0.00 0.00 0.00 43.42 42.63 2d8h n LEU 14 CO 0.81 1.72 1.02 0.78 0.00 0.00 0.00 177.39 181.71 2d8h h ASN 15 N 5.32 0.22 -3.08 1.96 2.35 -2.00 -3.43 115.58 116.92 2d8h h ASN 15 Ca 0.25 0.19 0.14 0.00 -0.55 0.00 0.00 56.30 56.33 2d8h h ASN 15 Cb 0.58 0.21 -0.28 0.00 0.05 0.00 0.00 38.32 38.88 2d8h h ASN 15 CO 1.34 -0.13 0.70 0.00 -1.65 0.00 0.00 177.43 177.70 2d8h s GLN 16 N -5.83 0.30 1.18 0.81 -2.07 -1.26 -5.18 119.66 107.61 2d8h s GLN 16 Ca -0.11 0.22 -0.18 0.00 -1.82 0.00 0.00 55.36 53.46 2d8h s GLN 16 Cb 0.27 0.15 0.28 0.00 -1.09 0.00 0.00 33.01 32.62 2d8h s GLN 16 CO 0.78 -0.07 1.11 -1.25 -1.32 0.00 0.00 175.29 174.54 2d8h s PRO 17 N -0.39 -1.05 0.17 9.60 0.04 -1.26 -5.06 135.00 137.04 2d8h s PRO 17 Ca 0.04 0.00 0.09 0.00 0.04 0.00 0.00 61.00 61.18 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 -0.08 -3.61 -0.20 0.42 0.04 0.00 0.00 177.00 173.57 2d8h s ILE 18 N -3.00 1.98 -0.20 0.56 1.01 -0.79 -4.94 121.20 115.82 2d8h s ILE 18 Ca 0.70 -1.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 2d8h s ILE 18 Cb -0.11 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2d8h s ILE 18 CO 0.56 -0.22 -0.03 -1.61 0.00 0.00 0.00 174.94 173.64 2d8h s GLU 19 N -2.66 3.51 0.01 2.79 2.02 -1.26 -0.16 118.70 122.95 2d8h s GLU 19 Ca 0.16 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.61 2d8h s GLU 19 Cb -0.07 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 2d8h s GLU 19 CO 0.07 -0.03 -0.12 0.14 0.02 0.00 0.00 175.26 175.35 2d8h s VAL 20 N 1.06 0.91 -0.29 2.63 -7.23 -1.20 -4.52 120.40 111.76 2d8h s VAL 20 Ca 0.01 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 2d8h s VAL 20 Cb -0.15 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 2d8h s VAL 20 CO 0.01 0.10 0.20 -0.89 -0.31 0.00 0.00 175.10 174.20 2d8h s THR 21 N -0.57 5.30 -0.21 5.32 2.01 -1.06 -1.55 115.64 124.88 2d8h s THR 21 Ca 0.02 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 2d8h s THR 21 Cb -0.06 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2d8h s THR 21 CO 0.00 0.21 2.17 0.00 -0.69 0.00 0.00 174.62 176.31 2d8h s ALA 22 N 1.75 2.80 0.30 7.40 0.00 -0.92 -2.35 121.76 130.75 2d8h s ALA 22 Ca 0.07 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.87 2d8h s ALA 22 Cb -0.16 -4.05 0.48 0.00 0.00 0.00 0.00 23.12 19.39 2d8h s ALA 22 CO 0.11 -2.69 1.74 -0.07 0.00 0.00 0.00 175.76 174.85 2d8h h LEU 23 N 14.63 0.34 -8.32 0.00 3.38 -0.99 0.96 115.31 125.30 2d8h h LEU 23 Ca -0.41 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.28 2d8h h LEU 23 Cb 1.23 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 2d8h h LEU 23 CO 0.96 0.64 -0.69 -0.31 0.09 0.00 0.00 178.44 179.14 2d8h s TYR 24 N -4.36 0.67 0.91 1.13 2.02 -1.20 -4.70 117.35 111.83 2d8h s TYR 24 Ca -0.06 -1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 55.51 2d8h s TYR 24 Cb 0.14 -0.44 0.14 0.00 -0.40 0.00 0.00 41.96 41.40 2d8h s TYR 24 CO 0.77 -0.29 1.09 0.45 -1.57 0.00 0.00 175.55 176.00 2d8h s SER 25 N -2.97 3.35 0.10 2.29 0.15 -1.26 -3.85 113.70 111.52 2d8h s SER 25 Ca 0.09 1.37 -0.25 0.00 0.70 0.00 0.00 55.95 57.87 2d8h s SER 25 Cb 0.07 -2.05 0.07 0.00 -1.71 0.00 0.00 66.02 62.40 2d8h s SER 25 CO -0.08 -2.70 0.61 0.12 1.20 0.00 0.00 173.24 172.39 2d8h s PHE 26 N -2.98 -0.55 -0.23 3.44 5.36 -0.84 -4.86 117.98 117.33 2d8h s PHE 26 Ca 0.64 0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 57.07 2d8h s PHE 26 Cb -0.18 0.50 0.08 0.00 -0.34 0.00 0.00 43.02 43.08 2d8h s PHE 26 CO 0.57 -0.78 0.10 -1.21 -1.46 0.00 0.00 175.22 172.44 2d8h s GLU 27 N -3.08 0.20 -0.70 10.12 2.02 -1.26 -3.11 118.70 122.89 2d8h s GLU 27 Ca -0.02 -0.34 -0.31 0.00 0.02 0.00 0.00 54.97 54.32 2d8h s GLU 27 Cb -0.01 -1.60 -0.15 0.00 0.10 0.00 0.00 34.13 32.47 2d8h s GLU 27 CO -0.07 -0.82 2.49 0.41 0.02 0.00 0.00 175.26 177.29 2d8h n GLY 28 N 5.22 -0.09 0.25 -1.39 0.00 -1.21 -4.77 105.19 103.20 2d8h n GLY 28 Ca -0.07 0.96 -0.05 0.00 0.00 0.00 0.00 46.02 46.86 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 14.36 0.59 -6.81 1.61 1.08 -1.95 -3.44 115.11 120.55 2d8h h GLN 29 Ca -0.15 -0.22 -0.50 0.00 -1.45 0.00 0.00 58.65 56.33 2d8h h GLN 29 Cb 1.31 -0.04 0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2d8h h GLN 29 CO 1.24 0.77 0.05 -0.65 -0.95 0.00 0.00 178.83 179.29 2d8h s GLN 30 N -4.58 3.63 0.00 1.46 -0.21 -1.26 -4.95 119.66 113.74 2d8h s GLN 30 Ca -0.08 0.22 0.13 0.00 0.02 0.00 0.00 55.36 55.66 2d8h s GLN 30 Cb 0.14 -2.44 0.79 0.00 1.00 0.00 0.00 33.01 32.50 2d8h s GLN 30 CO 0.80 -0.06 1.21 -0.35 -2.12 0.00 0.00 175.29 174.78 2d8h n PRO 31 N -1.71 0.49 -1.02 2.91 -0.04 -1.26 -2.51 135.00 131.85 2d8h n PRO 31 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2d8h n PRO 31 Cb 0.55 -1.42 0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 3.06 3.22 0.55 0.00 -1.26 -5.07 105.19 105.67 2d8h n GLY 32 Ca 0.10 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.32 2.29 -4.31 1.61 8.00 -1.05 -3.61 116.55 119.16 2d8h n ASP 33 Ca 0.12 -2.51 -0.30 0.00 0.71 0.00 0.00 54.79 52.81 2d8h n ASP 33 Cb 0.91 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 41.74 2d8h n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2d8h s LEU 34 N 0.00 2.09 -0.18 0.64 2.96 -1.14 -4.39 118.68 118.66 2d8h s LEU 34 Ca 0.33 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 2d8h s LEU 34 Cb -0.03 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.36 2d8h s LEU 34 CO 0.21 0.29 -0.02 0.20 -1.32 0.00 0.00 176.35 175.70 2d8h s ASN 35 N -0.82 4.77 0.34 3.68 0.01 -1.26 -3.31 114.94 118.35 2d8h s ASN 35 Ca 0.10 -0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.12 2d8h s ASN 35 Cb -0.10 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.75 2d8h s ASN 35 CO 0.00 0.11 0.35 0.72 -1.51 0.00 0.00 177.10 176.77 2d8h s PHE 36 N 0.73 1.56 0.08 2.20 -0.71 -1.18 -5.00 117.98 115.66 2d8h s PHE 36 Ca -0.01 -1.57 0.02 0.00 -1.04 0.00 0.00 56.93 54.33 2d8h s PHE 36 Cb -0.14 -0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 41.12 2d8h s PHE 36 CO 0.02 -0.98 -0.07 -0.65 -1.34 0.00 0.00 175.22 172.20 2d8h s GLN 37 N -3.25 0.73 -0.54 1.99 -0.21 -1.26 -1.98 119.66 115.13 2d8h s GLN 37 Ca 0.38 -1.13 -0.31 0.00 0.02 0.00 0.00 55.36 54.31 2d8h s GLN 37 Cb 0.01 -0.23 -0.12 0.00 1.00 0.00 0.00 33.01 33.67 2d8h s GLN 37 CO 0.26 0.00 2.39 0.00 -2.12 0.00 0.00 175.29 175.82 2d8h n ALA 38 N 0.48 0.83 0.00 6.09 0.00 -1.25 -0.35 120.51 126.31 2d8h n ALA 38 Ca -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2d8h n ALA 38 Cb 0.59 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 6.32 0.99 3.73 0.00 0.00 0.33 -4.93 105.19 111.63 2d8h n GLY 39 Ca 0.45 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.73 6.42 0.06 1.61 1.11 0.52 -4.45 116.67 121.21 2d8h s ASP 40 Ca 0.00 2.84 -0.27 0.00 0.18 0.00 0.00 52.55 55.30 2d8h s ASP 40 Cb 0.00 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 2d8h s ASP 40 CO 0.00 -0.92 0.85 -0.13 1.18 0.00 0.00 175.17 176.15 2d8h s ARG 41 N 0.67 4.57 -0.22 8.23 3.00 -1.26 -2.16 118.95 131.77 2d8h s ARG 41 Ca 0.70 1.23 -0.00 0.00 0.00 0.00 0.00 55.73 57.65 2d8h s ARG 41 Cb -0.48 -3.38 0.02 0.00 0.00 0.00 0.00 34.95 31.12 2d8h s ARG 41 CO 0.36 0.22 -0.11 0.42 0.00 0.00 0.00 175.30 176.20 2d8h s ILE 42 N 0.08 2.59 -0.64 1.52 1.01 -0.60 -4.71 121.20 120.45 2d8h s ILE 42 Ca 0.43 -1.00 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 2d8h s ILE 42 Cb -0.21 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 2d8h s ILE 42 CO 0.26 0.31 1.72 -0.89 0.00 0.00 0.00 174.94 176.33 2d8h s THR 43 N 1.31 3.45 -0.20 2.92 2.01 0.89 -3.25 115.64 122.77 2d8h s THR 43 Ca 0.01 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.98 2d8h s THR 43 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2d8h s THR 43 CO -0.07 -1.15 1.92 -0.69 -0.69 0.00 0.00 174.62 173.94 2d8h s VAL 44 N 8.24 3.31 -0.25 3.82 1.01 0.78 0.13 120.40 137.43 2d8h s VAL 44 Ca 0.59 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.94 2d8h s VAL 44 Cb -0.11 -3.34 -0.18 0.00 0.00 0.00 0.00 36.38 32.74 2d8h s VAL 44 CO 0.19 -0.17 -0.18 2.30 0.00 0.00 0.00 175.10 177.24 2d8h n ILE 45 N 6.93 1.48 -3.55 2.22 -5.35 -0.57 -1.88 119.36 118.64 2d8h n ILE 45 Ca 0.24 -0.61 -0.25 0.00 -0.27 0.00 0.00 62.75 61.86 2d8h n ILE 45 Cb 0.45 -1.31 -0.15 0.00 -1.74 0.00 0.00 39.64 36.89 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 2.46 0.21 7.28 0.15 -0.44 -4.95 113.70 112.00 2d8h s SER 46 Ca -0.32 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 55.59 2d8h s SER 46 Cb 0.09 -0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.25 2d8h s SER 46 CO 0.63 -0.37 0.07 -1.59 1.20 0.00 0.00 173.24 173.18 2d8h s LYS 47 N 2.18 1.23 0.50 5.44 -2.85 -1.26 -0.57 119.74 124.41 2d8h s LYS 47 Ca 0.06 -1.64 0.02 0.00 -1.00 0.00 0.00 55.97 53.41 2d8h s LYS 47 Cb -0.16 -0.10 0.02 0.00 -2.06 0.00 0.00 37.83 35.53 2d8h s LYS 47 CO -0.20 -0.27 0.20 0.25 0.10 0.00 0.00 175.35 175.44 2d8h n THR 48 N -0.32 0.00 -0.55 3.79 -2.24 -1.26 -5.01 114.28 108.69 2d8h n THR 48 Ca -0.02 -2.16 -0.09 0.00 -2.27 0.00 0.00 64.05 59.51 2d8h n THR 48 Cb 0.65 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2d8h n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2d8h n ASP 49 N -1.58 5.56 -3.69 3.42 2.03 -1.26 -4.76 116.55 116.27 2d8h n ASP 49 Ca -0.11 -2.73 -0.11 0.00 0.52 0.00 0.00 54.79 52.37 2d8h n ASP 49 Cb 0.60 -1.01 -0.11 0.00 -0.72 0.00 0.00 41.12 39.87 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2d8h s SER 50 N 0.89 -0.32 -0.07 1.67 0.01 -1.26 -5.06 113.70 109.56 2d8h s SER 50 Ca 0.17 0.79 -0.17 0.00 1.31 0.00 0.00 55.95 58.05 2d8h s SER 50 Cb 0.13 0.77 -0.12 0.00 0.21 0.00 0.00 66.02 67.01 2d8h s SER 50 CO 0.00 -0.20 0.64 1.12 0.41 0.00 0.00 173.24 175.22 2d8h h HIS 51 N 7.44 -0.20 -0.94 2.43 2.07 -1.95 -3.29 115.15 120.70 2d8h h HIS 51 Ca -0.32 -0.00 0.32 0.00 -2.85 0.00 0.00 60.37 57.52 2d8h h HIS 51 Cb 1.16 0.07 -0.17 0.00 2.57 0.00 0.00 27.41 31.03 2d8h h HIS 51 CO 0.29 0.16 0.25 0.34 -3.07 0.00 0.00 177.93 175.91 2d8h n PHE 52 N -4.90 0.84 -0.95 6.12 7.35 -1.26 -3.10 117.46 121.54 2d8h n PHE 52 Ca -0.06 1.12 -0.30 0.00 -0.76 0.00 0.00 57.45 57.45 2d8h n PHE 52 Cb 0.23 -1.35 0.16 0.00 0.35 0.00 0.00 39.48 38.86 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2d8h s ASP 53 N -4.79 3.08 0.10 -2.13 1.01 -1.24 -4.59 116.67 108.11 2d8h s ASP 53 Ca -0.10 1.77 -0.19 0.00 0.71 0.00 0.00 52.55 54.74 2d8h s ASP 53 Cb 0.30 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.78 2d8h s ASP 53 CO 0.73 -2.93 0.59 0.26 0.21 0.00 0.00 175.17 174.03 2d8h s TRP 54 N -2.76 3.76 0.43 4.23 0.52 -1.26 -2.99 118.94 120.87 2d8h s TRP 54 Ca 0.65 1.26 0.06 0.00 0.02 0.00 0.00 56.10 58.09 2d8h s TRP 54 Cb -0.20 -2.50 -0.05 0.00 -1.15 0.00 0.00 33.47 29.57 2d8h s TRP 54 CO 0.58 0.54 0.09 -1.58 0.02 0.00 0.00 176.95 176.61 2d8h s TRP 55 N -1.21 2.41 -0.22 -1.98 0.51 0.49 -4.83 118.94 114.12 2d8h s TRP 55 Ca 0.32 -0.69 0.02 0.00 -2.12 0.00 0.00 56.10 53.62 2d8h s TRP 55 Cb -0.19 -1.83 0.04 0.00 -0.81 0.00 0.00 33.47 30.68 2d8h s TRP 55 CO 0.20 0.27 -0.15 -2.00 -0.51 0.00 0.00 176.95 174.76 2d8h s GLU 56 N -3.84 2.66 0.43 4.98 2.12 0.26 -0.73 118.70 124.57 2d8h s GLU 56 Ca 0.33 -1.06 0.03 0.00 0.36 0.00 0.00 54.97 54.63 2d8h s GLU 56 Cb 0.06 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2d8h s GLU 56 CO 0.18 -0.38 0.12 0.20 -0.54 0.00 0.00 175.26 174.83 2d8h s GLY 57 N 1.21 2.70 -0.05 -1.50 0.00 -0.98 -1.33 107.32 107.38 2d8h s GLY 57 Ca -0.01 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.69 2d8h s GLY 57 CO -0.09 -1.88 -0.24 0.54 0.00 0.00 0.00 173.10 171.43 2d8h s LYS 58 N -3.72 2.32 -0.05 2.90 1.02 0.12 -2.75 119.74 119.59 2d8h s LYS 58 Ca 0.21 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.34 2d8h s LYS 58 Cb 0.02 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.32 2d8h s LYS 58 CO 0.13 0.40 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.75 2d8h s LEU 59 N -0.24 1.23 -0.95 3.17 2.96 0.09 -0.07 118.68 124.87 2d8h s LEU 59 Ca -0.01 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 2d8h s LEU 59 Cb -0.12 -0.45 0.08 0.00 0.50 0.00 0.00 46.19 46.19 2d8h s LEU 59 CO 0.02 -0.07 0.29 0.54 -1.32 0.00 0.00 176.35 175.82 2d8h n ARG 60 N 4.21 -2.53 0.00 1.98 3.00 -1.26 0.15 116.66 122.20 2d8h n ARG 60 Ca -0.22 0.24 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 2d8h n ARG 60 Cb 0.51 -4.84 0.00 0.00 0.00 0.00 0.00 32.46 28.13 2d8h n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2d8h n GLY 61 N -0.88 2.86 3.67 -0.13 0.00 -1.26 -5.04 105.19 104.42 2d8h n GLY 61 Ca 0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.82 -0.03 1.61 -1.52 0.40 -5.03 119.66 115.91 2d8h s GLN 62 Ca 0.00 0.94 -0.07 0.00 -1.95 0.00 0.00 55.36 54.29 2d8h s GLN 62 Cb 0.00 -1.75 0.01 0.00 -0.22 0.00 0.00 33.01 31.05 2d8h s GLN 62 CO 0.00 -2.58 0.16 0.99 -0.25 0.00 0.00 175.29 173.61 2d8h s THR 63 N -2.80 0.05 -1.08 -0.19 2.01 -1.26 -0.74 115.64 111.63 2d8h s THR 63 Ca 0.65 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2d8h s THR 63 Cb -0.20 -0.35 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2d8h s THR 63 CO 0.59 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 2d8h n GLY 64 N 2.14 -1.42 3.92 4.40 0.00 -1.11 -4.54 105.19 108.58 2d8h n GLY 64 Ca -0.18 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.31 5.20 -0.05 -0.61 -4.36 -1.24 -2.31 121.20 115.52 2d8h s ILE 65 Ca 0.00 -0.68 -0.29 0.00 -0.26 0.00 0.00 60.65 59.41 2d8h s ILE 65 Cb 0.00 -3.64 0.09 0.00 1.25 0.00 0.00 42.46 40.16 2d8h s ILE 65 CO 0.00 -0.04 0.79 0.72 0.24 0.00 0.00 174.94 176.65 2d8h s PHE 66 N -1.69 -0.51 -0.04 1.37 -0.12 0.09 -2.89 117.98 114.18 2d8h s PHE 66 Ca 0.34 0.75 -0.30 0.00 -0.05 0.00 0.00 56.93 57.67 2d8h s PHE 66 Cb -0.11 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2d8h s PHE 66 CO 0.28 -0.55 1.48 -1.25 -0.05 0.00 0.00 175.22 175.12 2d8h s PRO 67 N -1.77 4.23 0.59 1.99 0.04 -1.26 -0.38 135.00 138.43 2d8h s PRO 67 Ca -0.04 2.01 0.28 0.00 0.04 0.00 0.00 61.00 63.29 2d8h s PRO 67 Cb -0.00 -3.76 1.66 0.00 0.04 0.00 0.00 34.50 32.44 2d8h s PRO 67 CO 0.02 -0.71 2.12 0.00 0.04 0.00 0.00 177.00 178.47 2d8h h ALA 68 N 8.54 1.80 0.00 8.56 0.00 -1.47 0.10 119.26 136.79 2d8h h ALA 68 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2d8h h ALA 68 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2d8h h ALA 68 CO 0.94 -0.26 0.00 -1.71 0.00 0.00 0.00 179.25 178.21 2d8h n ASN 69 N -3.85 0.20 -0.89 0.00 5.15 -1.25 -0.86 115.26 113.76 2d8h n ASN 69 Ca 0.01 0.57 0.12 0.00 -0.60 0.00 0.00 54.58 54.68 2d8h n ASN 69 Cb 0.30 -0.61 0.27 0.00 -0.53 0.00 0.00 39.78 39.21 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 -1.75 0.31 -4.32 1.20 4.02 0.35 -4.93 117.16 112.03 2d8h n TYR 70 Ca 0.01 -0.15 -0.18 0.00 -0.01 0.00 0.00 57.90 57.57 2d8h n TYR 70 Cb 0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 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 -1.69 0.35 0.02 -0.72 -7.23 -0.04 -0.35 120.40 110.73 2d8h s VAL 71 Ca 0.35 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2d8h s VAL 71 Cb 0.20 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2d8h s VAL 71 CO 0.30 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.39 2d8h s THR 72 N -3.68 0.11 -0.94 5.32 -1.32 -0.99 -4.77 115.64 109.37 2d8h s THR 72 Ca 0.36 -0.91 -0.13 0.00 -1.21 0.00 0.00 61.69 59.80 2d8h s THR 72 Cb 0.06 -0.42 0.23 0.00 -1.51 0.00 0.00 72.50 70.86 2d8h s THR 72 CO 0.16 -0.50 0.93 -0.04 -2.21 0.00 0.00 174.62 172.96 2d8h s MET 73 N -1.65 3.80 -0.07 7.08 -1.94 -1.26 -2.57 119.30 122.68 2d8h s MET 73 Ca -0.14 -2.63 -0.03 0.00 -1.71 0.00 0.00 55.69 51.18 2d8h s MET 73 Cb -0.08 -4.53 0.04 0.00 2.01 0.00 0.00 34.83 32.27 2d8h s MET 73 CO -0.01 -1.34 0.16 1.21 -0.01 0.00 0.00 175.02 175.03 2d8h s ASN 74 N 2.06 -0.08 -0.41 3.03 3.84 -1.26 -5.10 114.94 117.02 2d8h s ASN 74 Ca 0.24 0.32 -0.12 0.00 0.21 0.00 0.00 52.86 53.52 2d8h s ASN 74 Cb -0.09 0.21 0.05 0.00 -0.55 0.00 0.00 41.25 40.88 2d8h s ASN 74 CO -0.08 -0.16 0.27 -0.44 -2.79 0.00 0.00 177.10 173.90 2d8h s SER 75 N 1.25 5.81 0.00 -4.21 0.01 -1.26 -4.77 113.70 110.53 2d8h s SER 75 Ca -0.09 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2d8h s SER 75 Cb -0.12 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2d8h s SER 75 CO -0.06 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2d8h n GLY 76 N 5.02 0.59 1.35 3.44 0.00 -1.26 -5.08 105.19 109.26 2d8h n GLY 76 Ca -0.11 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.59 2d8h n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8h n PRO 77 N 0.00 -1.84 -2.70 1.61 -0.04 -1.26 -4.99 135.00 125.77 2d8h n PRO 77 Ca 0.00 -0.68 -0.40 0.00 -0.04 0.00 0.00 63.50 62.38 2d8h n PRO 77 Cb 0.00 -0.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 2d8h n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d8h s SER 78 N -2.65 7.55 0.41 3.54 0.01 -1.26 -5.06 113.70 116.24 2d8h s SER 78 Ca 0.27 1.95 0.08 0.00 1.31 0.00 0.00 55.95 59.57 2d8h s SER 78 Cb -0.03 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2d8h s SER 78 CO 0.21 0.05 0.53 -0.94 0.41 0.00 0.00 173.24 173.50 2d8h s SER 79 N -0.80 5.62 0.00 2.44 1.04 -1.26 -5.24 113.70 115.50 2d8h s SER 79 Ca 0.43 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.43 2d8h s SER 79 Cb -0.26 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2d8h s SER 79 CO 0.33 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.46