#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 -0.30 0.16 1.61 1.04 -1.26 -5.18 113.70 109.78 2d8h s SER 2 Ca 0.00 0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.26 2d8h s SER 2 Cb 0.00 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.61 2d8h s SER 2 CO 0.00 -0.63 1.01 -0.94 0.98 0.00 0.00 173.24 173.66 2d8h s SER 3 N -1.85 -0.08 0.00 7.02 1.04 -1.26 -5.19 113.70 113.38 2d8h s SER 3 Ca -0.07 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2d8h s SER 3 Cb -0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2d8h s SER 3 CO -0.01 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2d8h n GLY 4 N -0.58 4.73 3.19 7.32 0.00 -1.26 -5.13 105.19 113.47 2d8h n GLY 4 Ca -0.05 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 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 1.29 5.13 0.43 1.61 0.01 -1.26 -5.10 113.70 115.83 2d8h s SER 5 Ca 0.00 -1.44 -0.21 0.00 1.31 0.00 0.00 55.95 55.61 2d8h s SER 5 Cb 0.00 -1.80 -0.10 0.00 0.21 0.00 0.00 66.02 64.33 2d8h s SER 5 CO 0.00 -0.36 0.98 -0.55 0.41 0.00 0.00 173.24 173.72 2d8h s SER 6 N 1.48 6.80 -0.54 2.44 0.15 -1.26 -5.03 113.70 117.75 2d8h s SER 6 Ca -0.00 1.79 0.06 0.00 0.70 0.00 0.00 55.95 58.50 2d8h s SER 6 Cb -0.21 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.78 2d8h s SER 6 CO -0.01 -0.46 0.59 0.61 1.20 0.00 0.00 173.24 175.17 2d8h n GLY 7 N -0.36 3.74 3.67 9.45 0.00 -1.26 -5.09 105.19 115.34 2d8h n GLY 7 Ca 0.07 -2.17 -0.62 0.00 0.00 0.00 0.00 46.02 43.29 2d8h n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2d8h n HIS 8 N 1.42 1.56 -0.05 1.61 -0.00 -1.26 -4.84 115.22 113.65 2d8h n HIS 8 Ca 0.26 0.96 -0.11 0.00 -0.00 0.00 0.00 57.72 58.83 2d8h n HIS 8 Cb 0.45 -2.26 -0.04 0.00 -0.00 0.00 0.00 29.99 28.14 2d8h n HIS 8 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2d8h h GLU 9 N 4.99 0.29 -6.05 -0.41 4.11 -2.02 -3.47 114.58 112.02 2d8h h GLU 9 Ca -0.46 -0.05 -0.42 0.00 0.07 0.00 0.00 59.36 58.50 2d8h h GLU 9 Cb 1.37 -0.05 0.06 0.00 0.50 0.00 0.00 28.75 30.63 2d8h h GLU 9 CO 0.89 0.36 -0.80 0.54 0.07 0.00 0.00 179.01 180.07 2d8h n ARG 10 N -4.83 -5.51 -0.69 1.06 5.12 -1.26 -4.85 116.66 105.70 2d8h n ARG 10 Ca -0.04 0.66 -0.09 0.00 -1.93 0.00 0.00 57.85 56.46 2d8h n ARG 10 Cb 0.12 -5.39 0.02 0.00 -1.16 0.00 0.00 32.46 26.05 2d8h n ARG 10 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2d8h n VAL 11 N -4.39 2.37 0.00 1.55 0.24 -1.26 -4.89 118.33 111.94 2d8h n VAL 11 Ca -0.21 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 2d8h n VAL 11 Cb 0.64 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 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 1.14 3.08 7.63 0.00 -1.26 -5.15 105.19 111.47 2d8h n GLY 12 Ca 0.16 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 0.14 -0.39 1.61 0.01 -1.26 -5.12 114.94 109.92 2d8h s ASN 13 Ca 0.00 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.74 2d8h s ASN 13 Cb 0.00 0.19 0.13 0.00 0.41 0.00 0.00 41.25 41.99 2d8h s ASN 13 CO 0.00 -0.42 0.22 -0.22 -1.51 0.00 0.00 177.10 175.17 2d8h s LEU 14 N -1.73 1.89 0.14 0.60 1.98 -1.26 -4.96 118.68 115.34 2d8h s LEU 14 Ca -0.11 -2.35 0.02 0.00 -2.89 0.00 0.00 54.13 48.80 2d8h s LEU 14 Cb -0.05 -0.74 -0.08 0.00 0.66 0.00 0.00 46.19 45.98 2d8h s LEU 14 CO -0.02 -0.30 1.32 0.78 -1.89 0.00 0.00 176.35 176.25 2d8h h ASN 15 N 6.97 0.25 -4.71 3.68 -0.26 -2.01 -3.46 115.58 116.03 2d8h h ASN 15 Ca 0.01 -0.23 -0.06 0.00 -0.56 0.00 0.00 56.30 55.47 2d8h h ASN 15 Cb 0.95 -0.08 -0.20 0.00 -1.06 0.00 0.00 38.32 37.94 2d8h h ASN 15 CO 0.39 1.07 0.15 0.00 -1.06 0.00 0.00 177.43 177.98 2d8h s GLN 16 N -3.05 0.98 0.72 0.81 -2.07 -1.26 -5.18 119.66 110.62 2d8h s GLN 16 Ca -0.03 0.45 -0.12 0.00 -1.82 0.00 0.00 55.36 53.85 2d8h s GLN 16 Cb 0.10 0.47 0.18 0.00 -1.09 0.00 0.00 33.01 32.66 2d8h s GLN 16 CO 0.84 -0.26 0.64 -0.35 -1.32 0.00 0.00 175.29 174.84 2d8h n PRO 17 N 1.43 -2.27 -4.57 9.60 -0.04 -1.26 -5.08 135.00 132.81 2d8h n PRO 17 Ca -0.18 -1.03 -0.24 0.00 -0.04 0.00 0.00 63.50 62.01 2d8h n PRO 17 Cb 0.56 -0.96 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 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 -2.16 1.57 -0.22 0.52 1.01 -0.86 -4.94 121.20 116.13 2d8h s ILE 18 Ca 0.42 -1.19 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2d8h s ILE 18 Cb -0.04 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 2d8h s ILE 18 CO 0.32 0.15 0.10 -1.61 0.00 0.00 0.00 174.94 173.91 2d8h s GLU 19 N -1.22 3.96 0.03 2.79 2.02 -1.26 0.08 118.70 125.10 2d8h s GLU 19 Ca 0.06 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.74 2d8h s GLU 19 Cb -0.09 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 2d8h s GLU 19 CO 0.02 0.12 -0.08 0.14 0.02 0.00 0.00 175.26 175.48 2d8h s VAL 20 N 0.83 0.60 -0.24 2.63 -7.23 -1.18 -4.73 120.40 111.08 2d8h s VAL 20 Ca 0.05 -0.89 -0.10 0.00 -1.81 0.00 0.00 61.98 59.23 2d8h s VAL 20 Cb -0.13 -0.61 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 2d8h s VAL 20 CO 0.02 -0.22 0.14 -0.89 -0.31 0.00 0.00 175.10 173.84 2d8h s THR 21 N -1.04 5.14 -0.33 5.32 2.01 -0.97 -1.67 115.64 124.11 2d8h s THR 21 Ca -0.06 0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 2d8h s THR 21 Cb -0.08 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2d8h s THR 21 CO 0.00 0.35 1.88 0.00 -0.69 0.00 0.00 174.62 176.17 2d8h s ALA 22 N 1.08 2.78 0.38 7.40 0.00 -0.89 -1.94 121.76 130.57 2d8h s ALA 22 Ca 0.07 0.28 0.11 0.00 0.00 0.00 0.00 51.96 52.42 2d8h s ALA 22 Cb -0.14 -4.05 0.77 0.00 0.00 0.00 0.00 23.12 19.70 2d8h s ALA 22 CO 0.04 -2.76 1.88 -0.07 0.00 0.00 0.00 175.76 174.85 2d8h h LEU 23 N 14.17 0.14 -8.39 0.00 3.38 0.83 0.67 115.31 126.10 2d8h h LEU 23 Ca -0.34 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.40 2d8h h LEU 23 Cb 1.18 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 2d8h h LEU 23 CO 1.03 0.38 -0.69 -0.31 0.09 0.00 0.00 178.44 178.94 2d8h s TYR 24 N -4.52 0.79 0.82 1.13 2.02 -1.10 -4.73 117.35 111.75 2d8h s TYR 24 Ca -0.04 -0.98 -0.12 0.00 -0.37 0.00 0.00 57.07 55.56 2d8h s TYR 24 Cb 0.15 -0.48 0.08 0.00 -0.40 0.00 0.00 41.96 41.31 2d8h s TYR 24 CO 0.73 -0.24 1.10 0.45 -1.57 0.00 0.00 175.55 176.02 2d8h s SER 25 N -3.01 4.28 -0.28 2.29 0.15 -1.26 -3.83 113.70 112.03 2d8h s SER 25 Ca 0.11 1.32 -0.21 0.00 0.70 0.00 0.00 55.95 57.87 2d8h s SER 25 Cb 0.06 -2.03 0.10 0.00 -1.71 0.00 0.00 66.02 62.44 2d8h s SER 25 CO -0.06 -2.11 0.85 0.12 1.20 0.00 0.00 173.24 173.25 2d8h s PHE 26 N -3.13 -0.74 -0.34 3.44 5.36 -0.34 -4.87 117.98 117.35 2d8h s PHE 26 Ca 0.61 1.61 0.03 0.00 -0.96 0.00 0.00 56.93 58.22 2d8h s PHE 26 Cb -0.15 0.41 0.10 0.00 -0.34 0.00 0.00 43.02 43.04 2d8h s PHE 26 CO 0.55 -0.36 0.07 -1.21 -1.46 0.00 0.00 175.22 172.81 2d8h s GLU 27 N 0.90 1.32 -0.31 10.12 2.02 -1.26 -1.90 118.70 129.60 2d8h s GLU 27 Ca -0.04 -1.73 -0.32 0.00 0.02 0.00 0.00 54.97 52.89 2d8h s GLU 27 Cb -0.05 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.17 2d8h s GLU 27 CO -0.10 -0.96 2.22 0.41 0.02 0.00 0.00 175.26 176.84 2d8h n GLY 28 N 4.32 0.67 0.26 -1.39 0.00 -1.20 -4.80 105.19 103.05 2d8h n GLY 28 Ca 0.03 0.87 0.14 0.00 0.00 0.00 0.00 46.02 47.06 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 13.63 0.00 -6.05 1.61 4.20 -1.96 -3.44 115.11 123.11 2d8h h GLN 29 Ca -0.32 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.80 2d8h h GLN 29 Cb 1.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 2d8h h GLN 29 CO 1.01 0.10 -0.52 -0.65 -0.67 0.00 0.00 178.83 178.10 2d8h s GLN 30 N -3.79 3.26 0.00 1.46 -0.21 -1.26 -4.98 119.66 114.14 2d8h s GLN 30 Ca -0.00 -0.60 0.14 0.00 0.02 0.00 0.00 55.36 54.92 2d8h s GLN 30 Cb 0.10 -2.90 0.84 0.00 1.00 0.00 0.00 33.01 32.06 2d8h s GLN 30 CO 0.57 0.55 1.26 -0.35 -2.12 0.00 0.00 175.29 175.21 2d8h n PRO 31 N -0.07 0.49 0.00 2.91 -0.04 -1.26 -2.02 135.00 135.01 2d8h n PRO 31 Ca -0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 2d8h n PRO 31 Cb 0.53 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.21 2.85 0.55 0.00 -1.26 -5.01 105.19 102.09 2d8h n GLY 32 Ca 0.11 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 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 0.03 0.95 -4.34 1.61 9.92 -0.86 -2.81 116.55 121.07 2d8h n ASP 33 Ca 0.05 -1.82 -0.29 0.00 -0.53 0.00 0.00 54.79 52.20 2d8h n ASP 33 Cb 0.24 -0.49 -0.14 0.00 -0.64 0.00 0.00 41.12 40.09 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 2.19 -0.23 0.64 2.96 -0.93 -4.27 118.68 119.04 2d8h s LEU 34 Ca 0.49 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 2d8h s LEU 34 Cb -0.03 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 2d8h s LEU 34 CO 0.33 0.23 -0.00 0.20 -1.32 0.00 0.00 176.35 175.78 2d8h s ASN 35 N -1.37 4.58 0.19 3.68 0.01 -1.26 -3.24 114.94 117.53 2d8h s ASN 35 Ca 0.11 -0.33 -0.04 0.00 -0.71 0.00 0.00 52.86 51.89 2d8h s ASN 35 Cb -0.10 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 2d8h s ASN 35 CO 0.03 -0.03 0.20 0.72 -1.51 0.00 0.00 177.10 176.51 2d8h s PHE 36 N 1.53 0.87 0.16 2.20 -0.71 -0.80 -4.99 117.98 116.23 2d8h s PHE 36 Ca 0.06 -1.16 0.07 0.00 -1.04 0.00 0.00 56.93 54.87 2d8h s PHE 36 Cb -0.15 -0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2d8h s PHE 36 CO -0.01 -0.69 -0.16 -0.65 -1.34 0.00 0.00 175.22 172.37 2d8h s GLN 37 N -4.09 1.19 -0.55 1.99 -0.21 -1.26 -1.20 119.66 115.53 2d8h s GLN 37 Ca 0.31 -1.39 -0.31 0.00 0.02 0.00 0.00 55.36 53.99 2d8h s GLN 37 Cb 0.05 -1.12 -0.12 0.00 1.00 0.00 0.00 33.01 32.82 2d8h s GLN 37 CO 0.08 0.21 2.39 0.00 -2.12 0.00 0.00 175.29 175.85 2d8h n ALA 38 N 0.22 0.81 0.00 6.09 0.00 -1.25 -0.40 120.51 125.98 2d8h n ALA 38 Ca -0.13 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2d8h n ALA 38 Cb 0.58 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 1.34 3.76 0.00 0.00 0.23 -4.94 105.19 111.93 2d8h n GLY 39 Ca 0.46 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 3.79 -4.71 1.61 9.92 0.46 -4.47 116.55 123.15 2d8h n ASP 40 Ca 0.00 1.19 -0.39 0.00 -0.53 0.00 0.00 54.79 55.06 2d8h n ASP 40 Cb 0.00 -1.60 -0.05 0.00 -0.64 0.00 0.00 41.12 38.83 2d8h n ASP 40 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2d8h s ARG 41 N -1.39 4.37 -0.20 -1.24 3.00 -1.26 -2.10 118.95 120.13 2d8h s ARG 41 Ca 0.58 0.75 -0.03 0.00 0.00 0.00 0.00 55.73 57.03 2d8h s ARG 41 Cb -0.49 -3.47 -0.01 0.00 0.00 0.00 0.00 34.95 30.98 2d8h s ARG 41 CO 0.57 0.02 -0.07 0.42 0.00 0.00 0.00 175.30 176.24 2d8h s ILE 42 N 0.99 3.23 -0.61 1.52 1.01 -0.67 -4.71 121.20 121.96 2d8h s ILE 42 Ca 0.34 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 2d8h s ILE 42 Cb -0.17 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.88 2d8h s ILE 42 CO 0.15 0.45 1.39 -0.89 0.00 0.00 0.00 174.94 176.05 2d8h s THR 43 N 1.22 3.76 -0.42 2.92 2.01 0.73 -3.11 115.64 122.75 2d8h s THR 43 Ca 0.02 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 2d8h s THR 43 Cb -0.14 -4.55 -0.02 0.00 0.01 0.00 0.00 72.50 67.80 2d8h s THR 43 CO -0.02 -1.34 1.85 -0.69 -0.69 0.00 0.00 174.62 173.73 2d8h s VAL 44 N 6.11 3.42 -0.17 3.82 1.01 0.11 0.32 120.40 135.01 2d8h s VAL 44 Ca 0.48 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.85 2d8h s VAL 44 Cb -0.10 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.37 2d8h s VAL 44 CO 0.22 -0.53 0.14 2.30 0.00 0.00 0.00 175.10 177.23 2d8h n ILE 45 N 7.39 1.61 -3.60 2.22 -5.35 -0.32 -2.03 119.36 119.28 2d8h n ILE 45 Ca 0.23 -0.66 -0.27 0.00 -0.27 0.00 0.00 62.75 61.78 2d8h n ILE 45 Cb 0.49 -1.41 -0.16 0.00 -1.74 0.00 0.00 39.64 36.81 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 -6.58 2.68 0.23 7.28 0.15 -0.37 -4.96 113.70 112.12 2d8h s SER 46 Ca -0.24 -0.80 0.01 0.00 0.70 0.00 0.00 55.95 55.62 2d8h s SER 46 Cb 0.08 -0.28 -0.05 0.00 -1.71 0.00 0.00 66.02 64.05 2d8h s SER 46 CO 0.72 -0.37 0.10 -1.59 1.20 0.00 0.00 173.24 173.29 2d8h s LYS 47 N 2.12 1.32 0.52 5.44 -2.85 -1.26 -0.03 119.74 124.99 2d8h s LYS 47 Ca 0.04 -1.70 0.02 0.00 -1.00 0.00 0.00 55.97 53.33 2d8h s LYS 47 Cb -0.16 -0.11 -0.00 0.00 -2.06 0.00 0.00 37.83 35.50 2d8h s LYS 47 CO -0.16 -0.31 0.11 0.95 0.10 0.00 0.00 175.35 176.04 2d8h s THR 48 N -3.86 1.31 0.02 3.79 -4.23 -1.26 -5.04 115.64 106.37 2d8h s THR 48 Ca 0.37 -1.87 -0.25 0.00 -1.18 0.00 0.00 61.69 58.76 2d8h s THR 48 Cb 0.07 -2.18 -0.18 0.00 1.34 0.00 0.00 72.50 71.55 2d8h s THR 48 CO 0.12 0.00 1.42 -0.78 -0.54 0.00 0.00 174.62 174.84 2d8h h ASP 49 N 1.21 -0.08 -4.20 3.99 3.58 -2.02 -3.44 116.42 115.45 2d8h h ASP 49 Ca -0.42 -0.27 -0.53 0.00 0.42 0.00 0.00 57.03 56.23 2d8h h ASP 49 Cb 1.31 0.02 0.17 0.00 1.72 0.00 0.00 39.33 42.55 2d8h h ASP 49 CO 0.70 0.23 0.35 -0.44 -2.88 0.00 0.00 179.24 177.20 2d8h s SER 50 N -5.40 3.79 -0.13 2.28 0.01 -1.26 -5.00 113.70 107.99 2d8h s SER 50 Ca -0.15 2.34 -0.12 0.00 1.31 0.00 0.00 55.95 59.33 2d8h s SER 50 Cb 0.03 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2d8h s SER 50 CO 0.65 -2.53 -0.23 0.00 0.41 0.00 0.00 173.24 171.53 2d8h n HIS 51 N -3.15 0.24 -0.25 2.43 1.44 -1.26 -4.44 115.22 110.23 2d8h n HIS 51 Ca 0.13 0.10 0.24 0.00 -2.01 0.00 0.00 57.72 56.19 2d8h n HIS 51 Cb 0.51 -0.48 0.45 0.00 0.12 0.00 0.00 29.99 30.59 2d8h n HIS 51 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2d8h n PHE 52 N -4.05 0.87 -0.63 -1.40 3.72 -1.26 -4.07 117.46 110.65 2d8h n PHE 52 Ca -0.09 0.88 -0.31 0.00 -0.05 0.00 0.00 57.45 57.88 2d8h n PHE 52 Cb 0.34 -1.30 0.19 0.00 -0.94 0.00 0.00 39.48 37.77 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 -4.69 -1.85 -4.84 4.37 9.92 -1.26 -4.63 116.55 113.57 2d8h n ASP 53 Ca 0.29 -0.01 -0.38 0.00 -0.53 0.00 0.00 54.79 54.16 2d8h n ASP 53 Cb 0.98 -1.15 -0.06 0.00 -0.64 0.00 0.00 41.12 40.25 2d8h n ASP 53 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2d8h s TRP 54 N -2.36 3.66 0.43 1.24 0.52 -1.26 -3.32 118.94 117.86 2d8h s TRP 54 Ca 0.61 0.81 0.07 0.00 0.02 0.00 0.00 56.10 57.61 2d8h s TRP 54 Cb -0.19 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 2d8h s TRP 54 CO 0.65 0.64 0.20 -1.58 0.02 0.00 0.00 176.95 176.88 2d8h s TRP 55 N -0.92 2.46 -0.19 -1.98 0.51 0.35 -4.79 118.94 114.37 2d8h s TRP 55 Ca 0.20 -0.64 0.01 0.00 -2.12 0.00 0.00 56.10 53.56 2d8h s TRP 55 Cb -0.15 -1.94 0.03 0.00 -0.81 0.00 0.00 33.47 30.60 2d8h s TRP 55 CO 0.09 0.11 -0.14 -2.00 -0.51 0.00 0.00 176.95 174.49 2d8h s GLU 56 N -3.95 2.44 0.44 4.98 2.12 0.96 -0.56 118.70 125.13 2d8h s GLU 56 Ca 0.38 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.91 2d8h s GLU 56 Cb 0.03 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.95 2d8h s GLU 56 CO 0.21 -0.33 0.12 0.20 -0.54 0.00 0.00 175.26 174.93 2d8h s GLY 57 N 1.34 2.80 -0.03 -1.50 0.00 -1.02 -1.18 107.32 107.74 2d8h s GLY 57 Ca 0.01 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.84 2d8h s GLY 57 CO -0.10 -1.90 -0.19 0.54 0.00 0.00 0.00 173.10 171.46 2d8h s LYS 58 N -3.69 1.71 -0.03 2.90 1.02 0.15 -2.81 119.74 118.99 2d8h s LYS 58 Ca 0.18 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2d8h s LYS 58 Cb 0.01 -1.56 0.03 0.00 -0.52 0.00 0.00 37.83 35.78 2d8h s LYS 58 CO 0.13 0.34 0.01 -1.17 -0.92 0.00 0.00 175.35 173.74 2d8h s LEU 59 N -0.23 1.03 -0.93 3.17 2.96 -0.52 -0.19 118.68 123.97 2d8h s LEU 59 Ca 0.02 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2d8h s LEU 59 Cb -0.09 -0.21 0.00 0.00 0.50 0.00 0.00 46.19 46.39 2d8h s LEU 59 CO 0.01 -0.12 0.00 0.54 -1.32 0.00 0.00 176.35 175.45 2d8h n ARG 60 N 4.30 -2.28 0.00 1.98 1.74 -1.26 0.74 116.66 121.89 2d8h n ARG 60 Ca -0.24 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 2d8h n ARG 60 Cb 0.50 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 26.85 2d8h n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d8h n GLY 61 N -0.74 3.14 3.70 -0.13 0.00 -1.26 -5.04 105.19 104.86 2d8h n GLY 61 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.40 0.98 -0.07 1.61 -0.21 0.23 -5.05 119.66 116.75 2d8h s GLN 62 Ca 0.00 0.73 -0.07 0.00 0.02 0.00 0.00 55.36 56.04 2d8h s GLN 62 Cb 0.00 -1.78 0.02 0.00 1.00 0.00 0.00 33.01 32.24 2d8h s GLN 62 CO 0.00 -2.41 0.20 0.99 -2.12 0.00 0.00 175.29 171.95 2d8h s THR 63 N -2.94 0.01 0.00 -0.19 2.01 -1.26 -1.44 115.64 111.83 2d8h s THR 63 Ca 0.64 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2d8h s THR 63 Cb -0.18 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2d8h s THR 63 CO 0.57 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 2d8h n GLY 64 N 2.82 -0.91 3.92 4.40 0.00 -1.12 -4.66 105.19 109.64 2d8h n GLY 64 Ca -0.14 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 5.25 -0.05 -0.61 -4.36 -1.12 -2.43 121.20 115.87 2d8h s ILE 65 Ca 0.00 -0.35 -0.29 0.00 -0.26 0.00 0.00 60.65 59.75 2d8h s ILE 65 Cb 0.00 -3.70 0.09 0.00 1.25 0.00 0.00 42.46 40.10 2d8h s ILE 65 CO 0.00 -0.07 0.80 0.72 0.24 0.00 0.00 174.94 176.62 2d8h s PHE 66 N -1.76 -0.51 -0.06 1.37 -0.12 0.27 -2.20 117.98 114.98 2d8h s PHE 66 Ca 0.38 0.75 -0.30 0.00 -0.05 0.00 0.00 56.93 57.71 2d8h s PHE 66 Cb -0.12 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 1.50 -1.25 -0.05 0.00 0.00 175.22 175.15 2d8h s PRO 67 N -1.73 4.22 0.67 1.99 0.04 -1.26 -0.50 135.00 138.43 2d8h s PRO 67 Ca -0.05 2.01 0.43 0.00 0.04 0.00 0.00 61.00 63.44 2d8h s PRO 67 Cb -0.00 -3.81 2.34 0.00 0.04 0.00 0.00 34.50 33.06 2d8h s PRO 67 CO 0.02 -0.74 2.32 0.00 0.04 0.00 0.00 177.00 178.64 2d8h h ALA 68 N 8.74 1.05 0.00 8.56 0.00 -1.70 0.35 119.26 136.26 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 -0.04 0.00 -0.97 0.00 0.00 0.00 179.25 179.18 2d8h h ASN 69 N 0.00 0.00 0.20 0.00 -0.73 -1.84 -1.72 115.58 111.49 2d8h h ASN 69 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2d8h h ASN 69 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2d8h h ASN 69 CO -0.00 0.00 -0.26 -1.22 -0.37 0.00 0.00 177.43 175.58 2d8h n TYR 70 N -2.31 0.00 -4.45 0.67 4.02 0.11 -4.91 117.16 110.28 2d8h n TYR 70 Ca 0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 2d8h n TYR 70 Cb 0.22 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.54 0.00 -3.71 -0.72 0.24 -0.65 0.13 118.33 113.08 2d8h n VAL 71 Ca 0.12 -1.87 -0.11 0.00 -2.04 0.00 0.00 64.34 60.44 2d8h n VAL 71 Cb 0.36 0.58 -0.11 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.65 -0.02 -0.32 3.34 -1.32 -0.82 -4.72 115.64 109.13 2d8h s THR 72 Ca 0.11 0.07 0.09 0.00 -1.21 0.00 0.00 61.69 60.75 2d8h s THR 72 Cb 0.01 -0.57 0.60 0.00 -1.51 0.00 0.00 72.50 71.02 2d8h s THR 72 CO 0.08 0.03 1.64 1.15 -2.21 0.00 0.00 174.62 175.30 2d8h n MET 73 N 3.86 2.47 -2.76 7.08 0.00 -1.26 -2.28 117.12 124.22 2d8h n MET 73 Ca -0.21 -3.08 -0.20 0.00 0.00 0.00 0.00 57.70 54.22 2d8h n MET 73 Cb 0.56 -1.99 0.04 0.00 0.00 0.00 0.00 33.22 31.83 2d8h n MET 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2d8h s ASN 74 N -1.86 5.24 -0.29 3.17 0.01 -1.26 -5.05 114.94 114.89 2d8h s ASN 74 Ca 0.49 -0.23 -0.09 0.00 -0.71 0.00 0.00 52.86 52.33 2d8h s ASN 74 Cb 0.42 -0.62 -0.01 0.00 0.41 0.00 0.00 41.25 41.45 2d8h s ASN 74 CO 0.06 -1.15 0.13 -0.55 -1.51 0.00 0.00 177.10 174.08 2d8h s SER 75 N -4.47 5.42 0.00 -1.22 0.15 -1.26 -5.00 113.70 107.33 2d8h s SER 75 Ca 0.58 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2d8h s SER 75 Cb -0.09 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 2d8h s SER 75 CO 0.38 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2d8h n GLY 76 N 4.96 6.49 3.74 9.45 0.00 -1.26 -5.10 105.19 123.46 2d8h n GLY 76 Ca -0.14 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 1.50 4.40 0.68 1.61 0.04 -1.26 -5.03 135.00 136.94 2d8h s PRO 77 Ca 0.00 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.01 2d8h s PRO 77 Cb 0.00 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2d8h s PRO 77 CO 0.00 -0.22 1.01 -1.54 0.04 0.00 0.00 177.00 176.29 2d8h s SER 78 N 0.22 5.20 0.05 6.66 1.04 -1.26 -5.07 113.70 120.54 2d8h s SER 78 Ca 0.55 0.75 -0.12 0.00 0.48 0.00 0.00 55.95 57.61 2d8h s SER 78 Cb -0.36 -1.54 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 2d8h s SER 78 CO 0.39 -1.38 0.42 -0.94 0.98 0.00 0.00 173.24 172.71 2d8h s SER 79 N -4.41 6.73 0.00 7.02 1.04 -1.26 -5.35 113.70 117.47 2d8h s SER 79 Ca 0.58 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2d8h s SER 79 Cb -0.11 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.79 2d8h s SER 79 CO 0.47 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.53