#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 0.95 0.30 1.61 0.15 -1.26 -5.14 113.70 110.31 2d8h s SER 2 Ca 0.00 0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.56 2d8h s SER 2 Cb 0.00 0.15 -0.10 0.00 -1.71 0.00 0.00 66.02 64.37 2d8h s SER 2 CO 0.00 -0.25 1.18 -0.55 1.20 0.00 0.00 173.24 174.81 2d8h s SER 3 N 2.26 7.08 0.08 5.45 0.15 -1.26 -5.01 113.70 122.45 2d8h s SER 3 Ca 0.04 2.43 -0.27 0.00 0.70 0.00 0.00 55.95 58.85 2d8h s SER 3 Cb -0.12 -2.64 0.09 0.00 -1.71 0.00 0.00 66.02 61.64 2d8h s SER 3 CO -0.05 -0.29 1.10 -0.83 1.20 0.00 0.00 173.24 174.36 2d8h s GLY 4 N -0.72 -0.30 -0.05 9.45 0.00 -1.26 -5.18 107.32 109.27 2d8h s GLY 4 Ca 0.46 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 2d8h s GLY 4 CO 0.46 0.17 0.32 -0.45 0.00 0.00 0.00 173.10 173.59 2d8h s SER 5 N -2.98 -0.24 -0.20 1.64 0.15 -1.26 -5.15 113.70 105.66 2d8h s SER 5 Ca 0.13 0.27 -0.05 0.00 0.70 0.00 0.00 55.95 57.01 2d8h s SER 5 Cb 0.01 0.43 0.10 0.00 -1.71 0.00 0.00 66.02 64.85 2d8h s SER 5 CO -0.00 -0.34 0.35 -0.55 1.20 0.00 0.00 173.24 173.90 2d8h s SER 6 N -0.85 0.20 0.47 5.45 0.15 -1.26 -5.16 113.70 112.70 2d8h s SER 6 Ca -0.09 0.52 -0.07 0.00 0.70 0.00 0.00 55.95 57.01 2d8h s SER 6 Cb -0.04 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.26 2d8h s SER 6 CO 0.03 -0.27 0.80 -0.83 1.20 0.00 0.00 173.24 174.17 2d8h s GLY 7 N 2.52 1.61 -0.19 9.45 0.00 -1.26 -5.03 107.32 114.42 2d8h s GLY 7 Ca 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 2d8h s GLY 7 CO -0.13 -0.23 -0.21 1.42 0.00 0.00 0.00 173.10 173.95 2d8h n HIS 8 N -2.07 0.00 -3.05 1.90 -0.00 -1.26 -4.78 115.22 105.96 2d8h n HIS 8 Ca 0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.29 2d8h n HIS 8 Cb 0.55 -0.72 -0.00 0.00 -0.00 0.00 0.00 29.99 29.82 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 -2.37 4.09 -0.02 -0.41 8.01 -1.26 -5.01 118.70 121.73 2d8h s GLU 9 Ca -0.27 -2.70 -0.29 0.00 0.01 0.00 0.00 54.97 51.73 2d8h s GLU 9 Cb 0.09 -4.92 -0.03 0.00 -4.31 0.00 0.00 34.13 24.96 2d8h s GLU 9 CO 0.39 -1.63 0.93 -0.98 0.01 0.00 0.00 175.26 173.97 2d8h s ARG 10 N 0.91 4.53 -0.49 1.61 1.70 -1.26 -4.93 118.95 121.02 2d8h s ARG 10 Ca 0.39 1.31 -0.39 0.00 -0.47 0.00 0.00 55.73 56.57 2d8h s ARG 10 Cb -0.05 -3.46 -0.16 0.00 -0.57 0.00 0.00 34.95 30.71 2d8h s ARG 10 CO -0.03 -0.05 2.22 0.28 -1.08 0.00 0.00 175.30 176.65 2d8h n VAL 11 N 3.93 0.07 -2.82 4.99 0.31 -1.26 -3.40 118.33 120.14 2d8h n VAL 11 Ca 0.05 -0.12 -0.03 0.00 -0.01 0.00 0.00 64.34 64.23 2d8h n VAL 11 Cb 0.51 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 32.43 2d8h n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2d8h n GLY 12 N 7.01 -3.07 3.34 2.92 0.00 -1.26 -4.91 105.19 109.22 2d8h n GLY 12 Ca 0.51 0.92 -0.32 0.00 0.00 0.00 0.00 46.02 47.12 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 1.77 -2.15 -4.26 1.61 4.13 -1.22 -4.98 115.26 110.15 2d8h n ASN 13 Ca -0.20 -0.02 -0.35 0.00 1.68 0.00 0.00 54.58 55.69 2d8h n ASN 13 Cb 0.36 -1.06 -0.14 0.00 -1.54 0.00 0.00 39.78 37.39 2d8h n ASN 13 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2d8h s LEU 14 N -2.20 3.39 0.25 3.41 2.01 -1.26 -4.97 118.68 119.31 2d8h s LEU 14 Ca 0.58 -0.76 0.07 0.00 0.01 0.00 0.00 54.13 54.04 2d8h s LEU 14 Cb -0.16 -1.75 0.27 0.00 0.01 0.00 0.00 46.19 44.57 2d8h s LEU 14 CO 0.66 -0.14 1.57 0.78 1.01 0.00 0.00 176.35 180.23 2d8h h ASN 15 N 8.10 0.12 -3.37 2.29 2.35 -2.00 -3.46 115.58 119.61 2d8h h ASN 15 Ca -0.33 -0.07 0.10 0.00 -0.55 0.00 0.00 56.30 55.44 2d8h h ASN 15 Cb 1.12 -0.04 -0.26 0.00 0.05 0.00 0.00 38.32 39.19 2d8h h ASN 15 CO 0.59 0.73 0.57 0.00 -1.65 0.00 0.00 177.43 177.67 2d8h s GLN 16 N -3.61 0.45 1.20 0.81 -2.07 -1.26 -5.18 119.66 109.99 2d8h s GLN 16 Ca -0.02 0.34 -0.19 0.00 -1.82 0.00 0.00 55.36 53.67 2d8h s GLN 16 Cb 0.12 0.22 0.28 0.00 -1.09 0.00 0.00 33.01 32.54 2d8h s GLN 16 CO 0.78 -0.09 1.11 -1.25 -1.32 0.00 0.00 175.29 174.52 2d8h s PRO 17 N -0.33 -1.17 0.24 9.60 0.04 -1.26 -5.06 135.00 137.06 2d8h s PRO 17 Ca 0.02 -0.05 0.11 0.00 0.04 0.00 0.00 61.00 61.13 2d8h s PRO 17 Cb -0.03 -1.60 -0.05 0.00 0.04 0.00 0.00 34.50 32.86 2d8h s PRO 17 CO -0.05 -3.68 -0.18 0.42 0.04 0.00 0.00 177.00 173.55 2d8h s ILE 18 N -3.01 2.60 -0.19 0.56 1.01 -0.44 -4.93 121.20 116.81 2d8h s ILE 18 Ca 0.71 -2.17 -0.02 0.00 0.00 0.00 0.00 60.65 59.17 2d8h s ILE 18 Cb -0.10 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 2d8h s ILE 18 CO 0.56 -0.28 -0.08 -1.61 0.00 0.00 0.00 174.94 173.53 2d8h s GLU 19 N -3.19 3.35 0.04 2.79 2.02 -1.26 -0.18 118.70 122.27 2d8h s GLU 19 Ca 0.27 -0.66 0.05 0.00 0.02 0.00 0.00 54.97 54.64 2d8h s GLU 19 Cb -0.06 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 2d8h s GLU 19 CO 0.14 -0.07 -0.14 0.14 0.02 0.00 0.00 175.26 175.35 2d8h s VAL 20 N 1.11 1.10 -0.30 2.63 -7.23 -1.23 -4.71 120.40 111.77 2d8h s VAL 20 Ca 0.01 -1.03 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2d8h s VAL 20 Cb -0.15 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 2d8h s VAL 20 CO -0.02 -0.03 0.18 -0.89 -0.31 0.00 0.00 175.10 174.04 2d8h s THR 21 N -0.90 5.01 -0.37 5.32 2.01 -1.16 -1.78 115.64 123.77 2d8h s THR 21 Ca 0.01 -0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.58 2d8h s THR 21 Cb -0.08 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 2d8h s THR 21 CO 0.01 0.12 2.33 0.00 -0.69 0.00 0.00 174.62 176.39 2d8h n ALA 22 N 5.04 1.25 0.18 7.40 0.00 -0.99 -2.86 120.51 130.54 2d8h n ALA 22 Ca -0.14 -0.56 0.06 0.00 0.00 0.00 0.00 53.44 52.80 2d8h n ALA 22 Cb 0.50 -3.02 0.52 0.00 0.00 0.00 0.00 19.45 17.46 2d8h n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2d8h h LEU 23 N 16.94 0.12 -8.28 0.00 3.38 -1.44 1.19 115.31 127.22 2d8h h LEU 23 Ca -0.31 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.51 2d8h h LEU 23 Cb 1.26 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.83 2d8h h LEU 23 CO 1.07 0.18 -0.67 -0.31 0.09 0.00 0.00 178.44 178.79 2d8h s TYR 24 N -4.97 0.59 0.78 1.13 2.02 -1.23 -4.72 117.35 110.94 2d8h s TYR 24 Ca -0.05 -1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 55.44 2d8h s TYR 24 Cb 0.16 -0.41 0.06 0.00 -0.40 0.00 0.00 41.96 41.38 2d8h s TYR 24 CO 0.70 -0.40 1.09 0.45 -1.57 0.00 0.00 175.55 175.81 2d8h s SER 25 N -2.95 4.60 0.21 2.29 0.15 -1.26 -3.54 113.70 113.20 2d8h s SER 25 Ca 0.10 1.48 -0.21 0.00 0.70 0.00 0.00 55.95 58.02 2d8h s SER 25 Cb 0.08 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 2d8h s SER 25 CO -0.08 -1.93 0.63 0.12 1.20 0.00 0.00 173.24 173.19 2d8h s PHE 26 N -3.07 -0.34 -0.23 3.44 5.36 -0.82 -4.83 117.98 117.50 2d8h s PHE 26 Ca 0.60 0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.55 2d8h s PHE 26 Cb -0.15 0.58 0.12 0.00 -0.34 0.00 0.00 43.02 43.23 2d8h s PHE 26 CO 0.55 -1.00 0.37 -1.21 -1.46 0.00 0.00 175.22 172.47 2d8h s GLU 27 N -3.83 0.32 -0.18 10.12 2.02 -1.26 -3.05 118.70 122.84 2d8h s GLU 27 Ca 0.06 0.61 -0.34 0.00 0.02 0.00 0.00 54.97 55.32 2d8h s GLU 27 Cb -0.03 -0.37 -0.11 0.00 0.10 0.00 0.00 34.13 33.73 2d8h s GLU 27 CO -0.04 -0.56 2.01 0.41 0.02 0.00 0.00 175.26 177.10 2d8h n GLY 28 N 5.37 1.13 0.09 -1.39 0.00 -1.23 -4.84 105.19 104.31 2d8h n GLY 28 Ca -0.05 0.87 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 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 10.94 0.00 -6.16 1.61 7.50 -1.95 -3.47 115.11 123.57 2d8h h GLN 29 Ca -0.42 0.00 -0.49 0.00 0.50 0.00 0.00 58.65 58.24 2d8h h GLN 29 Cb 1.28 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.80 2d8h h GLN 29 CO 0.97 0.46 -0.42 -0.65 -1.50 0.00 0.00 178.83 177.69 2d8h s GLN 30 N -2.77 3.45 -0.39 1.46 -0.21 -1.26 -5.04 119.66 114.89 2d8h s GLN 30 Ca -0.03 -0.66 -0.28 0.00 0.02 0.00 0.00 55.36 54.42 2d8h s GLN 30 Cb 0.08 -2.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 2d8h s GLN 30 CO 0.81 0.45 1.72 -1.25 -2.12 0.00 0.00 175.29 174.90 2d8h s PRO 31 N -3.70 3.27 0.00 2.91 0.04 -1.26 -2.76 135.00 133.50 2d8h s PRO 31 Ca 0.35 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2d8h s PRO 31 Cb -0.10 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2d8h s PRO 31 CO 0.29 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.80 2d8h n GLY 32 N 5.39 0.83 3.24 0.56 0.00 -1.26 -5.12 105.19 108.84 2d8h n GLY 32 Ca 0.21 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -3.40 -4.29 1.61 8.00 -1.11 -3.70 116.55 113.66 2d8h n ASP 33 Ca 0.00 -0.61 -0.29 0.00 0.71 0.00 0.00 54.79 54.60 2d8h n ASP 33 Cb 0.00 -1.02 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 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 -6.17 2.09 -0.19 0.64 2.96 -0.85 -4.47 118.68 112.69 2d8h s LEU 34 Ca 0.62 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 2d8h s LEU 34 Cb -0.14 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 2d8h s LEU 34 CO 0.56 0.27 0.03 0.20 -1.32 0.00 0.00 176.35 176.09 2d8h s ASN 35 N -0.80 5.25 0.30 3.68 0.01 -1.26 -3.57 114.94 118.55 2d8h s ASN 35 Ca 0.10 -0.05 0.06 0.00 -0.71 0.00 0.00 52.86 52.25 2d8h s ASN 35 Cb -0.09 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 2d8h s ASN 35 CO 0.00 0.13 0.28 2.22 -1.51 0.00 0.00 177.10 178.22 2d8h n PHE 36 N 3.85 -0.81 -4.07 2.20 -1.74 -1.17 -4.99 117.46 110.73 2d8h n PHE 36 Ca -0.17 -2.45 -0.12 0.00 -0.56 0.00 0.00 57.45 54.16 2d8h n PHE 36 Cb 0.52 0.30 -0.11 0.00 1.52 0.00 0.00 39.48 41.71 2d8h n PHE 36 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2d8h s GLN 37 N -3.14 0.56 -0.58 3.97 -0.21 -1.26 -1.95 119.66 117.05 2d8h s GLN 37 Ca 0.34 -0.87 -0.32 0.00 0.02 0.00 0.00 55.36 54.53 2d8h s GLN 37 Cb 0.01 -0.19 -0.14 0.00 1.00 0.00 0.00 33.01 33.70 2d8h s GLN 37 CO 0.24 0.01 2.39 0.00 -2.12 0.00 0.00 175.29 175.82 2d8h n ALA 38 N 1.12 0.73 0.00 6.09 0.00 -1.23 -0.19 120.51 127.04 2d8h n ALA 38 Ca -0.20 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2d8h n ALA 38 Cb 0.56 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 6.45 1.56 3.71 0.00 0.00 0.41 -4.90 105.19 112.43 2d8h n GLY 39 Ca 0.48 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 3.59 -4.67 1.61 8.00 0.74 -4.38 116.55 121.44 2d8h n ASP 40 Ca 0.00 1.11 -0.42 0.00 0.71 0.00 0.00 54.79 56.20 2d8h n ASP 40 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.53 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 0.18 4.32 -0.35 -1.24 3.00 -1.26 -2.34 118.95 121.25 2d8h s ARG 41 Ca 0.70 1.13 -0.09 0.00 0.00 0.00 0.00 55.73 57.47 2d8h s ARG 41 Cb -0.55 -3.57 0.02 0.00 0.00 0.00 0.00 34.95 30.85 2d8h s ARG 41 CO 0.43 -0.36 0.16 0.42 0.00 0.00 0.00 175.30 175.95 2d8h s ILE 42 N 2.23 4.33 -0.65 1.52 1.01 -0.73 -4.70 121.20 124.21 2d8h s ILE 42 Ca 0.41 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 2d8h s ILE 42 Cb -0.17 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2d8h s ILE 42 CO 0.13 -0.16 2.02 -0.89 0.00 0.00 0.00 174.94 176.04 2d8h s THR 43 N 1.52 3.28 -0.16 2.92 2.01 0.12 -3.47 115.64 121.86 2d8h s THR 43 Ca 0.01 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 2d8h s THR 43 Cb -0.19 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2d8h s THR 43 CO 0.05 -0.69 1.87 -0.69 -0.69 0.00 0.00 174.62 174.47 2d8h s VAL 44 N 10.24 3.34 -0.22 3.82 1.01 0.75 0.64 120.40 139.98 2d8h s VAL 44 Ca 0.75 0.39 0.03 0.00 0.00 0.00 0.00 61.98 63.15 2d8h s VAL 44 Cb -0.12 -3.35 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 2d8h s VAL 44 CO 0.17 -0.15 -0.18 2.30 0.00 0.00 0.00 175.10 177.24 2d8h n ILE 45 N 6.59 1.28 -3.57 2.22 -5.35 -0.23 -1.33 119.36 118.97 2d8h n ILE 45 Ca 0.22 -0.51 -0.27 0.00 -0.27 0.00 0.00 62.75 61.92 2d8h n ILE 45 Cb 0.44 -1.24 -0.16 0.00 -1.74 0.00 0.00 39.64 36.94 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 -6.10 2.86 0.24 7.28 0.15 -0.31 -4.93 113.70 112.88 2d8h s SER 46 Ca -0.29 -0.92 0.03 0.00 0.70 0.00 0.00 55.95 55.47 2d8h s SER 46 Cb 0.08 -0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2d8h s SER 46 CO 0.53 -0.39 0.02 -1.59 1.20 0.00 0.00 173.24 173.01 2d8h s LYS 47 N 2.13 1.35 0.46 5.44 0.00 -1.26 -0.16 119.74 127.70 2d8h s LYS 47 Ca 0.06 -1.70 0.05 0.00 0.00 0.00 0.00 55.97 54.38 2d8h s LYS 47 Cb -0.16 -0.54 -0.03 0.00 0.00 0.00 0.00 37.83 37.09 2d8h s LYS 47 CO -0.23 -0.14 0.12 0.95 0.00 0.00 0.00 175.35 176.05 2d8h s THR 48 N -3.49 1.76 -0.12 3.79 -4.23 -1.26 -5.01 115.64 107.08 2d8h s THR 48 Ca 0.30 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 2d8h s THR 48 Cb 0.06 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 2d8h s THR 48 CO 0.10 0.00 2.65 0.47 -0.54 0.00 0.00 174.62 177.30 2d8h n ASP 49 N -1.27 5.66 -3.62 3.99 9.92 -1.26 -4.73 116.55 125.23 2d8h n ASP 49 Ca -0.08 -2.65 -0.19 0.00 -0.53 0.00 0.00 54.79 51.34 2d8h n ASP 49 Cb 0.66 -1.23 -0.16 0.00 -0.64 0.00 0.00 41.12 39.75 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 1.46 1.20 0.23 -2.24 0.01 -1.26 -5.02 113.70 108.08 2d8h s SER 50 Ca 0.36 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.59 2d8h s SER 50 Cb 0.20 0.16 0.23 0.00 0.21 0.00 0.00 66.02 66.81 2d8h s SER 50 CO -0.03 -0.28 1.74 1.12 0.41 0.00 0.00 173.24 176.20 2d8h h HIS 51 N 8.37 1.03 -0.31 2.43 2.07 -1.98 -2.99 115.15 123.78 2d8h h HIS 51 Ca -0.14 -0.13 -0.09 0.00 -2.85 0.00 0.00 60.37 57.16 2d8h h HIS 51 Cb 1.13 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.81 2d8h h HIS 51 CO 0.33 0.88 -0.16 0.35 -3.07 0.00 0.00 177.93 176.25 2d8h h PHE 52 N 0.92 0.75 -3.59 6.12 3.04 -1.95 -3.11 116.94 119.13 2d8h h PHE 52 Ca 0.19 -0.19 -0.51 0.00 3.98 0.00 0.00 57.97 61.43 2d8h h PHE 52 Cb 0.41 -0.17 0.21 0.00 2.56 0.00 0.00 35.95 38.95 2d8h h PHE 52 CO 0.03 0.88 -0.29 -0.25 -2.02 0.00 0.00 178.31 176.66 2d8h n ASP 53 N -4.37 -1.22 -4.83 0.41 9.92 -1.13 -4.55 116.55 110.78 2d8h n ASP 53 Ca -0.03 0.27 -0.38 0.00 -0.53 0.00 0.00 54.79 54.12 2d8h n ASP 53 Cb 0.39 -1.29 -0.06 0.00 -0.64 0.00 0.00 41.12 39.52 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 -2.47 3.73 0.43 1.24 0.52 -1.26 -3.24 118.94 117.89 2d8h s TRP 54 Ca 0.61 1.02 0.07 0.00 0.02 0.00 0.00 56.10 57.82 2d8h s TRP 54 Cb -0.21 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.76 2d8h s TRP 54 CO 0.64 0.63 0.24 -1.58 0.02 0.00 0.00 176.95 176.90 2d8h s TRP 55 N -1.05 2.51 -0.21 -1.98 0.51 0.65 -4.75 118.94 114.62 2d8h s TRP 55 Ca 0.24 -0.60 0.02 0.00 -2.12 0.00 0.00 56.10 53.64 2d8h s TRP 55 Cb -0.17 -1.99 0.04 0.00 -0.81 0.00 0.00 33.47 30.54 2d8h s TRP 55 CO 0.14 0.06 -0.15 -2.00 -0.51 0.00 0.00 176.95 174.49 2d8h s GLU 56 N -3.99 2.52 0.28 4.98 2.12 0.77 -0.18 118.70 125.20 2d8h s GLU 56 Ca 0.41 -1.03 0.01 0.00 0.36 0.00 0.00 54.97 54.72 2d8h s GLU 56 Cb 0.02 -2.66 -0.01 0.00 0.26 0.00 0.00 34.13 31.74 2d8h s GLU 56 CO 0.23 -0.39 0.05 0.41 -0.54 0.00 0.00 175.26 175.02 2d8h n GLY 57 N 4.56 3.67 3.13 -1.50 0.00 -0.89 -1.07 105.19 113.10 2d8h n GLY 57 Ca -0.17 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.04 1.45 -0.03 1.61 1.02 0.21 -2.68 119.74 118.28 2d8h s LYS 58 Ca 0.07 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 55.49 2d8h s LYS 58 Cb 0.00 -1.35 0.03 0.00 -0.52 0.00 0.00 37.83 36.00 2d8h s LYS 58 CO 0.05 0.30 0.01 -1.17 -0.92 0.00 0.00 175.35 173.62 2d8h s LEU 59 N -0.19 1.01 -1.14 3.17 2.96 -0.10 0.16 118.68 124.55 2d8h s LEU 59 Ca 0.02 -0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 2d8h s LEU 59 Cb -0.08 -0.19 0.08 0.00 0.50 0.00 0.00 46.19 46.49 2d8h s LEU 59 CO 0.00 -0.13 0.39 0.54 -1.32 0.00 0.00 176.35 175.83 2d8h n ARG 60 N 4.32 -2.88 0.00 1.98 1.74 -1.26 0.10 116.66 120.66 2d8h n ARG 60 Ca -0.23 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2d8h n ARG 60 Cb 0.50 -5.02 0.00 0.00 -1.02 0.00 0.00 32.46 26.92 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 -1.02 2.89 3.71 -0.13 0.00 -1.26 -5.03 105.19 104.34 2d8h n GLY 61 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.08 1.36 -0.02 1.61 -0.21 0.29 -5.04 119.66 117.56 2d8h s GLN 62 Ca 0.00 1.05 -0.05 0.00 0.02 0.00 0.00 55.36 56.38 2d8h s GLN 62 Cb 0.00 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.21 2d8h s GLN 62 CO 0.00 -2.24 0.11 0.99 -2.12 0.00 0.00 175.29 172.04 2d8h s THR 63 N -2.84 0.04 -1.25 -0.19 2.01 -1.26 -0.92 115.64 111.23 2d8h s THR 63 Ca 0.64 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2d8h s THR 63 Cb -0.19 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.04 2d8h s THR 63 CO 0.57 -0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2d8h n GLY 64 N 2.32 -1.54 3.95 4.40 0.00 -1.09 -4.63 105.19 108.60 2d8h n GLY 64 Ca -0.17 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.04 5.22 -0.09 -0.61 -4.36 -1.24 -2.09 121.20 115.98 2d8h s ILE 65 Ca 0.00 -0.67 -0.30 0.00 -0.26 0.00 0.00 60.65 59.43 2d8h s ILE 65 Cb 0.00 -3.81 0.11 0.00 1.25 0.00 0.00 42.46 40.00 2d8h s ILE 65 CO 0.00 -0.32 0.89 0.72 0.24 0.00 0.00 174.94 176.47 2d8h s PHE 66 N -2.01 -0.43 -0.06 1.37 -0.12 0.75 -2.00 117.98 115.47 2d8h s PHE 66 Ca 0.37 0.64 -0.30 0.00 -0.05 0.00 0.00 56.93 57.59 2d8h s PHE 66 Cb -0.10 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.71 2d8h s PHE 66 CO 0.31 -0.46 1.50 -1.25 -0.05 0.00 0.00 175.22 175.26 2d8h s PRO 67 N -1.67 4.22 0.57 1.99 0.04 -1.26 -0.25 135.00 138.63 2d8h s PRO 67 Ca -0.02 2.01 0.27 0.00 0.04 0.00 0.00 61.00 63.30 2d8h s PRO 67 Cb -0.00 -3.81 1.55 0.00 0.04 0.00 0.00 34.50 32.28 2d8h s PRO 67 CO 0.01 -0.74 2.07 0.00 0.04 0.00 0.00 177.00 178.38 2d8h h ALA 68 N 8.74 1.99 0.00 8.56 0.00 -1.64 0.10 119.26 137.01 2d8h h ALA 68 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2d8h h ALA 68 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2d8h h ALA 68 CO 0.94 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.92 2d8h n ASN 69 N -3.99 0.43 -1.34 0.00 3.02 -1.17 -0.52 115.26 111.68 2d8h n ASN 69 Ca 0.03 0.68 0.09 0.00 -0.03 0.00 0.00 54.58 55.36 2d8h n ASN 69 Cb 0.38 -0.74 0.31 0.00 -0.61 0.00 0.00 39.78 39.11 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 1.12 -4.15 3.10 4.02 0.35 -4.91 117.16 114.64 2d8h n TYR 70 Ca -0.00 -0.49 -0.15 0.00 -0.01 0.00 0.00 57.90 57.25 2d8h n TYR 70 Cb 0.06 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.20 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 -1.49 0.00 -0.07 -0.72 -7.23 0.32 -1.17 120.40 110.04 2d8h s VAL 71 Ca 0.45 -1.73 -0.07 0.00 -1.81 0.00 0.00 61.98 58.81 2d8h s VAL 71 Cb 0.26 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.66 2d8h s VAL 71 CO 0.26 0.00 0.20 0.28 -0.31 0.00 0.00 175.10 175.52 2d8h s THR 72 N -3.32 0.01 -0.40 5.32 -1.32 -1.13 -4.76 115.64 110.04 2d8h s THR 72 Ca 0.34 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.73 2d8h s THR 72 Cb 0.01 -0.30 0.21 0.00 -1.51 0.00 0.00 72.50 70.91 2d8h s THR 72 CO 0.21 -0.04 2.18 0.80 -2.21 0.00 0.00 174.62 175.56 2d8h n MET 73 N 2.80 2.05 -1.93 7.08 1.56 -1.26 -2.96 117.12 124.46 2d8h n MET 73 Ca -0.14 -1.97 -0.42 0.00 -0.27 0.00 0.00 57.70 54.90 2d8h n MET 73 Cb 0.58 -1.82 -0.03 0.00 2.15 0.00 0.00 33.22 34.11 2d8h n MET 73 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2d8h s ASN 74 N -0.06 6.57 -0.57 6.12 4.22 -1.26 -4.95 114.94 125.01 2d8h s ASN 74 Ca 0.41 2.28 -0.18 0.00 -2.14 0.00 0.00 52.86 53.23 2d8h s ASN 74 Cb 0.31 -2.53 0.11 0.00 1.28 0.00 0.00 41.25 40.41 2d8h s ASN 74 CO -0.06 -1.00 0.64 -0.55 -2.04 0.00 0.00 177.10 174.09 2d8h s SER 75 N 3.77 6.19 0.00 3.54 0.15 -1.26 -4.96 113.70 121.13 2d8h s SER 75 Ca 0.77 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2d8h s SER 75 Cb -0.35 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2d8h s SER 75 CO 0.32 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2d8h n GLY 76 N 5.26 2.23 3.55 9.45 0.00 -1.26 -5.00 105.19 119.44 2d8h n GLY 76 Ca -0.11 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 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 3.07 2.60 0.00 1.61 0.04 -1.26 -4.96 135.00 136.11 2d8h s PRO 77 Ca 0.00 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 2d8h s PRO 77 Cb 0.00 -4.59 -0.05 0.00 0.04 0.00 0.00 34.50 29.91 2d8h s PRO 77 CO 0.00 -2.92 1.27 -1.12 0.04 0.00 0.00 177.00 174.26 2d8h s SER 78 N 8.09 6.99 -0.12 6.66 0.01 -1.26 -5.02 113.70 129.05 2d8h s SER 78 Ca 0.68 1.99 0.02 0.00 1.31 0.00 0.00 55.95 59.94 2d8h s SER 78 Cb -0.11 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2d8h s SER 78 CO 0.14 -0.59 -0.17 -0.94 0.41 0.00 0.00 173.24 172.09 2d8h s SER 79 N 1.45 2.61 0.00 2.44 1.04 -1.26 -5.32 113.70 114.66 2d8h s SER 79 Ca 0.59 -0.47 0.28 0.00 0.48 0.00 0.00 55.95 56.84 2d8h s SER 79 Cb -0.29 -1.18 1.14 0.00 0.10 0.00 0.00 66.02 65.80 2d8h s SER 79 CO 0.26 0.03 1.80 0.61 0.98 0.00 0.00 173.24 176.91