#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 -0.52 -1.60 1.61 1.04 -1.26 -4.95 113.70 108.01 2d8h s SER 2 Ca 0.00 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.18 2d8h s SER 2 Cb 0.00 1.07 0.16 0.00 0.10 0.00 0.00 66.02 67.35 2d8h s SER 2 CO 0.00 -0.15 0.41 -1.54 0.98 0.00 0.00 173.24 172.94 2d8h n SER 3 N 3.01 -1.06 -3.64 7.02 3.41 -1.26 -4.86 113.62 116.24 2d8h n SER 3 Ca -0.16 -1.11 -0.08 0.00 -0.26 0.00 0.00 58.87 57.27 2d8h n SER 3 Cb 0.57 -1.41 -0.07 0.00 -0.26 0.00 0.00 64.21 63.04 2d8h n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d8h s GLY 4 N -3.27 -0.37 -0.30 5.00 0.00 -1.26 -5.15 107.32 101.97 2d8h s GLY 4 Ca 0.58 2.58 -0.13 0.00 0.00 0.00 0.00 44.72 47.74 2d8h s GLY 4 CO 0.90 2.22 0.90 -0.45 0.00 0.00 0.00 173.10 176.67 2d8h s SER 5 N 1.06 -0.74 0.15 1.64 0.15 -1.26 -4.99 113.70 109.71 2d8h s SER 5 Ca -0.05 0.92 -0.20 0.00 0.70 0.00 0.00 55.95 57.31 2d8h s SER 5 Cb -0.05 1.81 0.04 0.00 -1.71 0.00 0.00 66.02 66.11 2d8h s SER 5 CO -0.12 -0.14 1.66 0.28 1.20 0.00 0.00 173.24 176.12 2d8h h SER 6 N 7.68 -0.52 -3.30 5.45 0.02 -2.04 -3.48 113.55 117.37 2d8h h SER 6 Ca -0.16 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2d8h h SER 6 Cb 1.12 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 2d8h h SER 6 CO 0.08 -0.19 -0.23 0.61 -1.14 0.00 0.00 176.83 175.96 2d8h n GLY 7 N -1.32 -3.31 3.72 -3.77 0.00 -1.26 -5.01 105.19 94.24 2d8h n GLY 7 Ca -0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 2d8h n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2d8h s HIS 8 N -0.10 3.46 0.80 1.61 5.04 -1.26 -5.09 115.29 119.75 2d8h s HIS 8 Ca -0.04 0.66 -0.06 0.00 -1.54 0.00 0.00 55.06 54.08 2d8h s HIS 8 Cb 0.00 -2.40 0.15 0.00 0.04 0.00 0.00 32.58 30.37 2d8h s HIS 8 CO 0.09 0.20 1.10 -1.83 -2.34 0.00 0.00 174.74 171.96 2d8h s GLU 9 N 0.59 1.34 -0.21 2.88 -1.05 -1.26 -5.10 118.70 115.89 2d8h s GLU 9 Ca 0.19 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 54.09 2d8h s GLU 9 Cb -0.14 -2.18 0.06 0.00 -0.44 0.00 0.00 34.13 31.44 2d8h s GLU 9 CO 0.06 -1.76 0.03 1.03 0.95 0.00 0.00 175.26 175.57 2d8h s ARG 10 N -5.38 0.77 -0.24 -4.83 0.52 -1.26 -5.11 118.95 103.41 2d8h s ARG 10 Ca 0.69 -0.56 -0.19 0.00 -0.52 0.00 0.00 55.73 55.15 2d8h s ARG 10 Cb -0.05 -2.15 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 2d8h s ARG 10 CO 0.47 -0.68 0.54 0.14 0.02 0.00 0.00 175.30 175.79 2d8h s VAL 11 N 1.78 5.06 0.00 3.52 -7.23 -1.26 -4.97 120.40 117.30 2d8h s VAL 11 Ca -0.00 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 2d8h s VAL 11 Cb -0.17 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.91 2d8h s VAL 11 CO -0.10 0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2d8h n GLY 12 N 4.20 0.61 3.66 2.32 0.00 -1.26 -4.56 105.19 110.16 2d8h n GLY 12 Ca -0.03 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2d8h n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d8h s ASN 13 N -4.00 5.66 -0.34 1.61 -0.87 -1.26 -5.00 114.94 110.73 2d8h s ASN 13 Ca 0.00 0.12 0.14 0.00 -1.57 0.00 0.00 52.86 51.55 2d8h s ASN 13 Cb 0.00 -1.93 0.46 0.00 -0.02 0.00 0.00 41.25 39.76 2d8h s ASN 13 CO 0.00 0.22 1.05 -0.11 -2.57 0.00 0.00 177.10 175.68 2d8h n LEU 14 N 3.26 2.79 -0.24 0.60 0.00 -1.26 -4.92 117.00 117.23 2d8h n LEU 14 Ca -0.17 -4.17 0.19 0.00 0.00 0.00 0.00 56.01 51.87 2d8h n LEU 14 Cb 0.53 0.09 0.36 0.00 0.00 0.00 0.00 43.42 44.40 2d8h n LEU 14 CO 0.34 1.74 0.71 0.59 0.00 0.00 0.00 177.39 180.78 2d8h n ASN 15 N -0.33 0.15 -3.54 1.96 3.02 -1.26 -4.47 115.26 110.78 2d8h n ASN 15 Ca 0.21 1.22 -0.17 0.00 -0.03 0.00 0.00 54.58 55.81 2d8h n ASN 15 Cb 0.78 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 2d8h n ASN 15 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2d8h s GLN 16 N -5.28 1.02 0.55 3.52 -0.21 -1.26 -5.18 119.66 112.82 2d8h s GLN 16 Ca -0.07 0.32 -0.09 0.00 0.02 0.00 0.00 55.36 55.53 2d8h s GLN 16 Cb 0.24 0.48 0.14 0.00 1.00 0.00 0.00 33.01 34.86 2d8h s GLN 16 CO 0.57 -0.30 0.49 -0.35 -2.12 0.00 0.00 175.29 173.58 2d8h n PRO 17 N 1.12 -1.97 -4.32 2.91 -0.04 -1.26 -5.06 135.00 126.37 2d8h n PRO 17 Ca -0.19 -0.78 -0.22 0.00 -0.04 0.00 0.00 63.50 62.27 2d8h n PRO 17 Cb 0.57 -0.73 -0.11 0.00 -0.04 0.00 0.00 33.50 33.18 2d8h n PRO 17 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2d8h s ILE 18 N -1.89 1.77 -0.18 0.52 1.01 -0.36 -4.94 121.20 117.13 2d8h s ILE 18 Ca 0.32 -1.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.05 2d8h s ILE 18 Cb -0.03 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2d8h s ILE 18 CO 0.24 -0.31 -0.01 -1.61 0.00 0.00 0.00 174.94 173.26 2d8h s GLU 19 N -2.73 3.65 -0.01 2.79 2.02 -1.26 -0.01 118.70 123.15 2d8h s GLU 19 Ca 0.15 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.64 2d8h s GLU 19 Cb -0.06 -3.03 -0.00 0.00 0.10 0.00 0.00 34.13 31.14 2d8h s GLU 19 CO 0.06 0.10 -0.06 0.14 0.02 0.00 0.00 175.26 175.51 2d8h s VAL 20 N 0.76 0.53 -0.19 2.63 -7.23 -1.20 -4.42 120.40 111.28 2d8h s VAL 20 Ca -0.00 -0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.77 2d8h s VAL 20 Cb -0.14 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.29 2d8h s VAL 20 CO 0.02 0.16 0.27 -0.89 -0.31 0.00 0.00 175.10 174.35 2d8h s THR 21 N -0.01 5.30 -0.46 5.32 2.01 -0.60 -1.52 115.64 125.68 2d8h s THR 21 Ca 0.01 0.47 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 2d8h s THR 21 Cb -0.04 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 2d8h s THR 21 CO -0.00 0.35 1.85 0.00 -0.69 0.00 0.00 174.62 176.13 2d8h s ALA 22 N 0.80 2.50 0.41 7.40 0.00 -0.98 -1.58 121.76 130.31 2d8h s ALA 22 Ca 0.14 -0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.04 2d8h s ALA 22 Cb -0.13 -4.15 0.86 0.00 0.00 0.00 0.00 23.12 19.70 2d8h s ALA 22 CO 0.04 -3.27 2.02 -0.07 0.00 0.00 0.00 175.76 174.48 2d8h h LEU 23 N 15.17 0.36 -8.79 0.00 3.38 -0.62 1.33 115.31 126.14 2d8h h LEU 23 Ca -0.30 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.27 2d8h h LEU 23 Cb 1.17 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 2d8h h LEU 23 CO 1.12 0.33 -0.55 -0.31 0.09 0.00 0.00 178.44 179.12 2d8h s TYR 24 N -5.21 1.49 0.55 1.13 2.02 -1.17 -4.71 117.35 111.46 2d8h s TYR 24 Ca -0.07 -1.51 -0.10 0.00 -0.37 0.00 0.00 57.07 55.02 2d8h s TYR 24 Cb 0.17 -0.67 -0.05 0.00 -0.40 0.00 0.00 41.96 41.01 2d8h s TYR 24 CO 0.73 -0.73 0.94 -1.54 -1.57 0.00 0.00 175.55 173.38 2d8h s SER 25 N -3.29 6.31 0.10 2.29 1.04 -1.26 -2.99 113.70 115.91 2d8h s SER 25 Ca 0.39 1.29 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 2d8h s SER 25 Cb 0.05 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.79 2d8h s SER 25 CO 0.20 -0.72 0.35 0.12 0.98 0.00 0.00 173.24 174.17 2d8h s PHE 26 N -2.93 -0.13 -0.23 5.02 5.36 -0.95 -4.88 117.98 119.24 2d8h s PHE 26 Ca 0.53 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 56.29 2d8h s PHE 26 Cb -0.11 0.17 0.09 0.00 -0.34 0.00 0.00 43.02 42.83 2d8h s PHE 26 CO 0.47 -0.64 0.14 -1.21 -1.46 0.00 0.00 175.22 172.52 2d8h s GLU 27 N -3.56 0.15 -0.68 10.12 2.02 -1.26 -3.49 118.70 121.99 2d8h s GLU 27 Ca 0.02 -0.23 -0.31 0.00 0.02 0.00 0.00 54.97 54.47 2d8h s GLU 27 Cb 0.02 -1.38 -0.15 0.00 0.10 0.00 0.00 34.13 32.72 2d8h s GLU 27 CO -0.10 -0.84 2.48 0.41 0.02 0.00 0.00 175.26 177.23 2d8h n GLY 28 N 5.28 -0.07 0.25 -1.39 0.00 -1.24 -4.78 105.19 103.25 2d8h n GLY 28 Ca -0.06 0.94 -0.04 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 14.53 0.59 -6.64 1.61 4.20 -1.96 -3.44 115.11 124.01 2d8h h GLN 29 Ca -0.16 -0.20 -0.51 0.00 0.06 0.00 0.00 58.65 57.84 2d8h h GLN 29 Cb 1.30 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 2d8h h GLN 29 CO 1.23 0.74 -0.04 -0.65 -0.67 0.00 0.00 178.83 179.44 2d8h s GLN 30 N -4.65 3.67 0.00 1.46 -1.52 -1.26 -4.96 119.66 112.40 2d8h s GLN 30 Ca -0.08 0.16 0.13 0.00 -1.95 0.00 0.00 55.36 53.62 2d8h s GLN 30 Cb 0.14 -2.54 0.80 0.00 -0.22 0.00 0.00 33.01 31.18 2d8h s GLN 30 CO 0.80 0.10 1.22 -0.35 -0.25 0.00 0.00 175.29 176.81 2d8h n PRO 31 N -1.19 0.49 -0.70 2.91 -0.04 -1.26 -2.44 135.00 132.77 2d8h n PRO 31 Ca -0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 2d8h n PRO 31 Cb 0.54 -1.43 0.13 0.00 -0.04 0.00 0.00 33.50 32.71 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 3.70 2.61 0.55 0.00 -1.26 -5.06 105.19 105.70 2d8h n GLY 32 Ca 0.10 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.70 2.07 -4.26 1.61 9.92 -1.02 -3.69 116.55 120.48 2d8h n ASP 33 Ca 0.14 -2.25 -0.30 0.00 -0.53 0.00 0.00 54.79 51.85 2d8h n ASP 33 Cb 0.79 -0.07 -0.16 0.00 -0.64 0.00 0.00 41.12 41.04 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 2.04 -0.22 0.64 2.96 -1.15 -4.48 118.68 118.47 2d8h s LEU 34 Ca 0.25 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 2d8h s LEU 34 Cb -0.02 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2d8h s LEU 34 CO 0.16 0.28 0.06 0.20 -1.32 0.00 0.00 176.35 175.73 2d8h s ASN 35 N -0.46 5.32 0.30 3.68 0.01 -1.26 -3.61 114.94 118.92 2d8h s ASN 35 Ca 0.06 -0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.17 2d8h s ASN 35 Cb -0.10 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.59 2d8h s ASN 35 CO -0.00 0.06 0.21 0.72 -1.51 0.00 0.00 177.10 176.58 2d8h s PHE 36 N 1.05 1.59 0.10 2.20 -0.71 -1.23 -5.01 117.98 115.98 2d8h s PHE 36 Ca 0.04 -1.52 0.04 0.00 -1.04 0.00 0.00 56.93 54.45 2d8h s PHE 36 Cb -0.14 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 40.90 2d8h s PHE 36 CO 0.03 -0.71 -0.11 -0.65 -1.34 0.00 0.00 175.22 172.43 2d8h s GLN 37 N -3.70 0.89 -0.56 1.99 -0.21 -1.26 -2.24 119.66 114.57 2d8h s GLN 37 Ca 0.38 -1.15 -0.31 0.00 0.02 0.00 0.00 55.36 54.30 2d8h s GLN 37 Cb 0.04 -0.66 -0.12 0.00 1.00 0.00 0.00 33.01 33.27 2d8h s GLN 37 CO 0.21 0.12 2.40 0.00 -2.12 0.00 0.00 175.29 175.90 2d8h n ALA 38 N 0.64 0.79 0.00 6.09 0.00 -1.16 -0.44 120.51 126.43 2d8h n ALA 38 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2d8h n ALA 38 Cb 0.57 -2.71 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 6.35 1.95 3.72 0.00 0.00 0.46 -4.92 105.19 112.74 2d8h n GLY 39 Ca 0.46 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2d8h n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8h n ASP 40 N 0.00 3.74 -4.74 1.61 8.00 0.41 -4.35 116.55 121.21 2d8h n ASP 40 Ca 0.00 1.10 -0.40 0.00 0.71 0.00 0.00 54.79 56.20 2d8h n ASP 40 Cb 0.00 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 39.50 2d8h n ASP 40 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2d8h s ARG 41 N 0.45 4.57 -0.22 -1.24 1.81 -1.26 -2.32 118.95 120.73 2d8h s ARG 41 Ca 0.71 1.19 0.01 0.00 -1.72 0.00 0.00 55.73 55.93 2d8h s ARG 41 Cb -0.54 -3.35 0.03 0.00 -0.45 0.00 0.00 34.95 30.64 2d8h s ARG 41 CO 0.40 0.30 -0.13 0.42 -0.68 0.00 0.00 175.30 175.61 2d8h s ILE 42 N -0.19 2.35 -0.69 1.52 1.01 -0.57 -4.73 121.20 119.90 2d8h s ILE 42 Ca 0.41 -1.17 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 2d8h s ILE 42 Cb -0.22 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 2d8h s ILE 42 CO 0.25 0.27 1.79 -0.89 0.00 0.00 0.00 174.94 176.36 2d8h s THR 43 N 1.25 3.43 0.03 2.92 2.01 0.19 -3.23 115.64 122.23 2d8h s THR 43 Ca -0.01 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 2d8h s THR 43 Cb -0.16 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 2d8h s THR 43 CO -0.08 -1.07 1.65 -0.69 -0.69 0.00 0.00 174.62 173.74 2d8h s VAL 44 N 8.68 3.26 -0.13 3.82 1.01 0.99 0.93 120.40 138.96 2d8h s VAL 44 Ca 0.63 0.58 0.03 0.00 0.00 0.00 0.00 61.98 63.22 2d8h s VAL 44 Cb -0.11 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2d8h s VAL 44 CO 0.15 -0.02 -0.08 2.30 0.00 0.00 0.00 175.10 177.45 2d8h n ILE 45 N 4.99 0.76 -3.57 2.22 -5.35 -0.56 -1.23 119.36 116.61 2d8h n ILE 45 Ca 0.16 -0.33 -0.26 0.00 -0.27 0.00 0.00 62.75 62.05 2d8h n ILE 45 Cb 0.41 -0.91 -0.16 0.00 -1.74 0.00 0.00 39.64 37.24 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 -5.05 2.55 0.34 7.28 0.15 -0.42 -4.95 113.70 113.60 2d8h s SER 46 Ca -0.15 -0.76 0.03 0.00 0.70 0.00 0.00 55.95 55.77 2d8h s SER 46 Cb 0.04 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 2d8h s SER 46 CO 0.34 -0.37 0.10 -1.59 1.20 0.00 0.00 173.24 172.92 2d8h s LYS 47 N 2.15 1.72 0.41 5.44 -2.85 -1.26 -0.21 119.74 125.14 2d8h s LYS 47 Ca 0.05 -1.99 0.07 0.00 -1.00 0.00 0.00 55.97 53.09 2d8h s LYS 47 Cb -0.16 -0.58 -0.08 0.00 -2.06 0.00 0.00 37.83 34.95 2d8h s LYS 47 CO -0.17 -0.35 0.01 0.95 0.10 0.00 0.00 175.35 175.89 2d8h s THR 48 N -3.37 2.01 0.00 3.79 -4.23 -1.26 -5.02 115.64 107.56 2d8h s THR 48 Ca 0.32 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2d8h s THR 48 Cb 0.06 -3.00 -0.19 0.00 1.34 0.00 0.00 72.50 70.71 2d8h s THR 48 CO 0.15 -0.00 3.10 0.47 -0.54 0.00 0.00 174.62 177.80 2d8h n ASP 49 N -0.97 5.16 -3.65 3.99 9.92 -1.26 -4.73 116.55 125.01 2d8h n ASP 49 Ca -0.05 -2.44 -0.10 0.00 -0.53 0.00 0.00 54.79 51.68 2d8h n ASP 49 Cb 0.67 -1.31 -0.08 0.00 -0.64 0.00 0.00 41.12 39.76 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2d8h s SER 50 N 2.01 -0.80 -0.07 -2.24 0.01 -1.26 -5.08 113.70 106.28 2d8h s SER 50 Ca 0.47 1.36 -0.07 0.00 1.31 0.00 0.00 55.95 59.01 2d8h s SER 50 Cb 0.22 1.28 -0.04 0.00 0.21 0.00 0.00 66.02 67.69 2d8h s SER 50 CO 0.00 -0.23 0.31 0.45 0.41 0.00 0.00 173.24 174.19 2d8h h HIS 51 N 6.42 -0.25 -0.97 2.43 3.86 -1.96 -3.31 115.15 121.37 2d8h h HIS 51 Ca -0.31 -0.01 0.36 0.00 -1.16 0.00 0.00 60.37 59.26 2d8h h HIS 51 Cb 1.20 0.08 -0.18 0.00 1.06 0.00 0.00 27.41 29.58 2d8h h HIS 51 CO 0.19 -0.16 0.37 1.19 0.86 0.00 0.00 177.93 180.38 2d8h n PHE 52 N -4.89 0.97 -0.72 2.45 3.72 -1.26 -3.42 117.46 114.31 2d8h n PHE 52 Ca -0.03 1.15 -0.29 0.00 -0.05 0.00 0.00 57.45 58.23 2d8h n PHE 52 Cb 0.11 -1.45 0.20 0.00 -0.94 0.00 0.00 39.48 37.40 2d8h n PHE 52 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2d8h s ASP 53 N -4.68 2.06 -0.09 4.37 1.01 -1.25 -4.65 116.67 113.44 2d8h s ASP 53 Ca -0.10 1.73 -0.11 0.00 0.71 0.00 0.00 52.55 54.78 2d8h s ASP 53 Cb 0.32 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.84 2d8h s ASP 53 CO 0.76 -3.56 0.26 0.26 0.21 0.00 0.00 175.17 173.09 2d8h s TRP 54 N -2.61 3.61 0.44 4.23 0.52 -1.26 -3.03 118.94 120.83 2d8h s TRP 54 Ca 0.67 0.69 0.07 0.00 0.02 0.00 0.00 56.10 57.55 2d8h s TRP 54 Cb -0.23 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 29.92 2d8h s TRP 54 CO 0.61 0.59 0.28 -1.58 0.02 0.00 0.00 176.95 176.87 2d8h s TRP 55 N -0.71 2.48 -0.23 -1.98 0.51 0.11 -4.78 118.94 114.35 2d8h s TRP 55 Ca 0.18 -0.60 0.02 0.00 -2.12 0.00 0.00 56.10 53.58 2d8h s TRP 55 Cb -0.14 -2.02 0.04 0.00 -0.81 0.00 0.00 33.47 30.55 2d8h s TRP 55 CO 0.07 -0.02 -0.14 -2.00 -0.51 0.00 0.00 176.95 174.35 2d8h s GLU 56 N -4.04 2.51 0.15 4.98 2.12 0.71 -0.12 118.70 125.01 2d8h s GLU 56 Ca 0.42 -1.12 0.01 0.00 0.36 0.00 0.00 54.97 54.63 2d8h s GLU 56 Cb 0.01 -2.74 -0.00 0.00 0.26 0.00 0.00 34.13 31.66 2d8h s GLU 56 CO 0.24 -0.42 0.02 0.41 -0.54 0.00 0.00 175.26 174.97 2d8h n GLY 57 N 4.52 3.91 3.13 -1.50 0.00 -0.92 -1.30 105.19 113.03 2d8h n GLY 57 Ca -0.17 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.57 1.50 -0.04 1.61 1.02 0.26 -2.74 119.74 118.78 2d8h s LYS 58 Ca 0.03 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2d8h s LYS 58 Cb 0.00 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.97 2d8h s LYS 58 CO 0.02 0.29 0.07 -1.17 -0.92 0.00 0.00 175.35 173.64 2d8h s LEU 59 N -0.17 0.77 -1.60 3.17 2.96 0.01 0.52 118.68 124.34 2d8h s LEU 59 Ca 0.01 0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.96 2d8h s LEU 59 Cb -0.09 0.04 0.08 0.00 0.50 0.00 0.00 46.19 46.72 2d8h s LEU 59 CO 0.01 -0.16 0.44 0.54 -1.32 0.00 0.00 176.35 175.85 2d8h n ARG 60 N 4.45 -2.25 0.00 1.98 5.12 -1.26 0.14 116.66 124.84 2d8h n ARG 60 Ca -0.22 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2d8h n ARG 60 Cb 0.50 -4.46 0.00 0.00 -1.16 0.00 0.00 32.46 27.34 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 -1.85 2.76 3.74 -0.13 0.00 -1.26 -4.99 105.19 103.46 2d8h n GLY 61 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.04 1.26 -0.08 1.61 -1.52 0.38 -5.07 119.66 116.20 2d8h s GLN 62 Ca 0.00 0.66 -0.16 0.00 -1.95 0.00 0.00 55.36 53.91 2d8h s GLN 62 Cb 0.00 -1.82 0.04 0.00 -0.22 0.00 0.00 33.01 31.00 2d8h s GLN 62 CO 0.00 -2.20 0.39 0.99 -0.25 0.00 0.00 175.29 174.23 2d8h s THR 63 N -3.03 0.03 -1.18 -0.19 2.01 -1.26 -0.81 115.64 111.20 2d8h s THR 63 Ca 0.63 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2d8h s THR 63 Cb -0.17 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.70 2d8h s THR 63 CO 0.56 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2d8h n GLY 64 N 1.92 -1.34 3.88 4.40 0.00 -1.11 -4.59 105.19 108.35 2d8h n GLY 64 Ca -0.18 -0.95 -0.27 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 -2.72 4.99 -0.07 -0.61 -4.36 -1.24 -2.16 121.20 115.03 2d8h s ILE 65 Ca 0.00 -0.78 -0.30 0.00 -0.26 0.00 0.00 60.65 59.32 2d8h s ILE 65 Cb 0.00 -3.53 0.10 0.00 1.25 0.00 0.00 42.46 40.28 2d8h s ILE 65 CO 0.00 -0.04 0.84 0.72 0.24 0.00 0.00 174.94 176.69 2d8h s PHE 66 N -1.68 -0.48 -0.03 1.37 -0.71 0.82 -2.91 117.98 114.36 2d8h s PHE 66 Ca 0.33 0.71 -0.30 0.00 -1.04 0.00 0.00 56.93 56.63 2d8h s PHE 66 Cb -0.11 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.11 2d8h s PHE 66 CO 0.26 -0.51 1.47 -1.25 -1.34 0.00 0.00 175.22 173.85 2d8h s PRO 67 N -1.70 4.24 0.59 1.99 0.04 -1.26 0.07 135.00 138.97 2d8h s PRO 67 Ca -0.04 2.01 0.38 0.00 0.04 0.00 0.00 61.00 63.40 2d8h s PRO 67 Cb -0.00 -3.72 2.08 0.00 0.04 0.00 0.00 34.50 32.90 2d8h s PRO 67 CO 0.01 -0.68 2.17 0.00 0.04 0.00 0.00 177.00 178.54 2d8h h ALA 68 N 8.40 1.03 0.00 8.56 0.00 -1.56 0.27 119.26 135.97 2d8h h ALA 68 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2d8h h ALA 68 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d8h h ALA 68 CO 0.93 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 180.24 2d8h n ASN 69 N -2.87 0.50 -0.40 0.00 3.02 -1.26 -1.67 115.26 112.58 2d8h n ASN 69 Ca -0.03 0.63 0.12 0.00 -0.03 0.00 0.00 54.58 55.27 2d8h n ASN 69 Cb 0.09 -0.73 0.20 0.00 -0.61 0.00 0.00 39.78 38.73 2d8h n ASN 69 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2d8h n TYR 70 N -2.05 0.00 -4.42 3.10 4.02 0.08 -4.92 117.16 112.97 2d8h n TYR 70 Ca 0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.70 2d8h n TYR 70 Cb 0.20 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 2d8h n TYR 70 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2d8h n VAL 71 N -0.24 0.00 -3.70 -0.72 0.24 -0.67 0.10 118.33 113.34 2d8h n VAL 71 Ca 0.11 -2.01 -0.13 0.00 -2.04 0.00 0.00 64.34 60.26 2d8h n VAL 71 Cb 0.41 0.72 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 2d8h n VAL 71 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2d8h s THR 72 N -2.85 0.06 -0.71 3.34 -1.32 -0.61 -4.72 115.64 108.82 2d8h s THR 72 Ca 0.18 -0.46 -0.05 0.00 -1.21 0.00 0.00 61.69 60.15 2d8h s THR 72 Cb 0.01 -0.84 0.18 0.00 -1.51 0.00 0.00 72.50 70.34 2d8h s THR 72 CO 0.12 -0.25 0.56 -0.04 -2.21 0.00 0.00 174.62 172.81 2d8h s MET 73 N -1.97 2.90 0.05 7.08 -1.94 -1.26 -1.55 119.30 122.61 2d8h s MET 73 Ca -0.09 -2.63 0.05 0.00 -1.71 0.00 0.00 55.69 51.31 2d8h s MET 73 Cb -0.02 -3.92 -0.02 0.00 2.01 0.00 0.00 34.83 32.87 2d8h s MET 73 CO 0.01 -1.21 -0.13 1.21 -0.01 0.00 0.00 175.02 174.89 2d8h s ASN 74 N 0.89 1.54 0.15 3.03 3.84 -1.26 -5.09 114.94 118.03 2d8h s ASN 74 Ca 0.19 -0.51 0.07 0.00 0.21 0.00 0.00 52.86 52.81 2d8h s ASN 74 Cb -0.16 -0.07 -0.04 0.00 -0.55 0.00 0.00 41.25 40.43 2d8h s ASN 74 CO -0.06 -0.03 -0.00 -0.44 -2.79 0.00 0.00 177.10 173.78 2d8h s SER 75 N -1.36 4.83 0.00 -4.21 0.01 -1.26 -4.92 113.70 106.80 2d8h s SER 75 Ca -0.01 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2d8h s SER 75 Cb -0.09 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.08 2d8h s SER 75 CO 0.01 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2d8h n GLY 76 N 0.12 -1.16 3.72 3.44 0.00 -1.26 -4.98 105.19 105.07 2d8h n GLY 76 Ca -0.10 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 2d8h n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8h s PRO 77 N 0.00 4.35 0.17 1.61 0.04 -1.26 -5.02 135.00 134.88 2d8h s PRO 77 Ca 0.00 2.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 2d8h s PRO 77 Cb 0.00 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 2d8h s PRO 77 CO 0.00 -0.38 0.48 -1.12 0.04 0.00 0.00 177.00 176.02 2d8h s SER 78 N 0.94 6.63 0.58 6.66 0.01 -1.26 -5.06 113.70 122.19 2d8h s SER 78 Ca 0.62 0.84 -0.19 0.00 1.31 0.00 0.00 55.95 58.53 2d8h s SER 78 Cb -0.36 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2d8h s SER 78 CO 0.32 0.03 1.19 -0.55 0.41 0.00 0.00 173.24 174.64 2d8h s SER 79 N -2.15 5.34 0.00 2.44 0.15 -1.26 -5.27 113.70 112.94 2d8h s SER 79 Ca 0.41 2.35 0.00 0.00 0.70 0.00 0.00 55.95 59.41 2d8h s SER 79 Cb -0.13 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d8h s SER 79 CO 0.21 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.77