#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 6.39 -0.28 1.61 0.15 -1.26 -5.08 113.70 115.24 2d8h s SER 2 Ca 0.00 0.36 -0.17 0.00 0.70 0.00 0.00 55.95 56.84 2d8h s SER 2 Cb 0.00 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 2d8h s SER 2 CO 0.00 0.20 0.45 -0.55 1.20 0.00 0.00 173.24 174.54 2d8h s SER 3 N -2.24 6.34 0.00 5.45 0.15 -1.26 -4.81 113.70 117.33 2d8h s SER 3 Ca 0.32 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2d8h s SER 3 Cb -0.13 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2d8h s SER 3 CO 0.24 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2d8h n GLY 4 N 4.58 -1.65 3.44 9.45 0.00 -1.26 -4.99 105.19 114.75 2d8h n GLY 4 Ca -0.06 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 2d8h n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d8h n SER 5 N 0.00 -1.41 -4.01 1.61 2.88 -1.26 -5.00 113.62 106.42 2d8h n SER 5 Ca 0.00 0.70 -0.19 0.00 -1.33 0.00 0.00 58.87 58.06 2d8h n SER 5 Cb 0.00 -1.14 -0.15 0.00 -0.75 0.00 0.00 64.21 62.17 2d8h n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2d8h s SER 6 N -1.19 1.02 -0.53 -3.46 0.15 -1.26 -5.09 113.70 103.34 2d8h s SER 6 Ca 0.67 -0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 2d8h s SER 6 Cb -0.44 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 63.72 2d8h s SER 6 CO 0.56 0.10 1.73 -0.83 1.20 0.00 0.00 173.24 176.00 2d8h s GLY 7 N -0.12 0.52 -0.10 9.45 0.00 -1.26 -4.96 107.32 110.85 2d8h s GLY 7 Ca 0.02 -0.44 -0.30 0.00 0.00 0.00 0.00 44.72 44.01 2d8h s GLY 7 CO -0.00 3.23 1.15 0.30 0.00 0.00 0.00 173.10 177.77 2d8h s HIS 8 N 7.79 3.23 -0.53 1.90 0.09 -1.26 -5.00 115.29 121.51 2d8h s HIS 8 Ca 0.66 1.30 -0.00 0.00 -0.00 0.00 0.00 55.06 57.02 2d8h s HIS 8 Cb -0.14 -3.36 0.14 0.00 -0.00 0.00 0.00 32.58 29.21 2d8h s HIS 8 CO 0.25 -1.03 0.32 -1.21 -0.00 0.00 0.00 174.74 173.07 2d8h s GLU 9 N 2.43 2.21 0.32 1.40 2.02 -1.26 -5.09 118.70 120.73 2d8h s GLU 9 Ca 0.53 -2.37 -0.18 0.00 0.02 0.00 0.00 54.97 52.96 2d8h s GLU 9 Cb -0.22 -3.55 -0.09 0.00 0.10 0.00 0.00 34.13 30.37 2d8h s GLU 9 CO 0.19 -1.12 0.79 1.03 0.02 0.00 0.00 175.26 176.17 2d8h s ARG 10 N 0.17 4.16 -0.30 1.61 0.52 -1.26 -5.06 118.95 118.79 2d8h s ARG 10 Ca 0.15 0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 56.12 2d8h s ARG 10 Cb -0.22 -2.52 0.18 0.00 0.52 0.00 0.00 34.95 32.91 2d8h s ARG 10 CO -0.03 0.19 0.97 0.54 0.02 0.00 0.00 175.30 176.99 2d8h s VAL 11 N -1.88 -0.41 -2.70 3.52 0.11 -1.26 -5.16 120.40 112.61 2d8h s VAL 11 Ca 0.53 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2d8h s VAL 11 Cb -0.12 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2d8h s VAL 11 CO 0.18 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 2d8h n GLY 12 N 5.33 0.72 3.61 6.54 0.00 -1.26 -5.11 105.19 115.03 2d8h n GLY 12 Ca 0.01 -2.08 -0.00 0.00 0.00 0.00 0.00 46.02 43.94 2d8h n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d8h s ASN 13 N -4.00 -0.35 -0.70 1.61 2.20 -1.26 -5.11 114.94 107.33 2d8h s ASN 13 Ca 0.00 0.56 0.01 0.00 -0.94 0.00 0.00 52.86 52.49 2d8h s ASN 13 Cb 0.00 1.18 0.17 0.00 -2.00 0.00 0.00 41.25 40.60 2d8h s ASN 13 CO 0.00 -0.09 0.51 -0.76 -2.94 0.00 0.00 177.10 173.82 2d8h s LEU 14 N 1.37 5.00 0.52 3.54 2.01 -1.26 -4.93 118.68 124.92 2d8h s LEU 14 Ca -0.08 -3.43 0.37 0.00 0.01 0.00 0.00 54.13 51.00 2d8h s LEU 14 Cb -0.03 -1.76 1.53 0.00 0.01 0.00 0.00 46.19 45.94 2d8h s LEU 14 CO -0.14 -0.20 1.74 -0.55 1.01 0.00 0.00 176.35 178.21 2d8h h ASN 15 N 6.14 0.07 -4.53 2.29 7.08 -2.00 -3.40 115.58 121.22 2d8h h ASN 15 Ca 0.07 0.02 -0.07 0.00 -3.08 0.00 0.00 56.30 53.24 2d8h h ASN 15 Cb 0.84 0.01 -0.20 0.00 -2.08 0.00 0.00 38.32 36.89 2d8h h ASN 15 CO 0.75 -0.01 0.06 -1.10 -2.08 0.00 0.00 177.43 175.05 2d8h s GLN 16 N -5.02 0.87 0.98 4.14 -1.52 -1.26 -5.17 119.66 112.68 2d8h s GLN 16 Ca -0.06 0.49 -0.12 0.00 -1.95 0.00 0.00 55.36 53.72 2d8h s GLN 16 Cb 0.25 0.41 0.18 0.00 -0.22 0.00 0.00 33.01 33.63 2d8h s GLN 16 CO 0.83 -0.20 1.09 -1.25 -0.25 0.00 0.00 175.29 175.50 2d8h s PRO 17 N -0.52 0.57 0.07 2.91 0.04 -1.26 -5.07 135.00 131.74 2d8h s PRO 17 Ca -0.06 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.63 2d8h s PRO 17 Cb -0.03 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2d8h s PRO 17 CO 0.05 -2.65 -0.16 0.42 0.04 0.00 0.00 177.00 174.70 2d8h s ILE 18 N -2.96 2.98 -0.19 0.56 1.01 -0.92 -4.94 121.20 116.74 2d8h s ILE 18 Ca 0.65 -1.27 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 2d8h s ILE 18 Cb -0.18 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 2d8h s ILE 18 CO 0.57 0.22 -0.04 -1.61 0.00 0.00 0.00 174.94 174.09 2d8h s GLU 19 N -1.81 3.52 0.12 2.79 2.02 -1.26 0.23 118.70 124.31 2d8h s GLU 19 Ca 0.17 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 54.66 2d8h s GLU 19 Cb -0.11 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2d8h s GLU 19 CO 0.09 0.00 -0.17 0.14 0.02 0.00 0.00 175.26 175.34 2d8h s VAL 20 N 0.98 1.55 -0.33 2.63 -7.23 -1.17 -3.92 120.40 112.92 2d8h s VAL 20 Ca 0.00 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 2d8h s VAL 20 Cb -0.15 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.24 2d8h s VAL 20 CO 0.01 -0.27 0.11 -0.89 -0.31 0.00 0.00 175.10 173.75 2d8h s THR 21 N -1.75 4.01 -0.30 5.32 2.01 -1.12 -1.58 115.64 122.24 2d8h s THR 21 Ca 0.09 -0.90 -0.37 0.00 0.31 0.00 0.00 61.69 60.82 2d8h s THR 21 Cb -0.07 -3.18 -0.13 0.00 0.01 0.00 0.00 72.50 69.13 2d8h s THR 21 CO 0.04 -0.08 1.99 0.00 -0.69 0.00 0.00 174.62 175.88 2d8h n ALA 22 N 4.87 0.56 0.01 7.40 0.00 -0.85 -3.07 120.51 129.43 2d8h n ALA 22 Ca -0.13 0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2d8h n ALA 22 Cb 0.46 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.62 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 9.94 0.54 -8.89 0.00 3.38 -0.03 1.06 115.31 121.30 2d8h h LEU 23 Ca -0.36 -0.25 -0.42 0.00 0.09 0.00 0.00 57.88 56.93 2d8h h LEU 23 Cb 1.32 -0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 2d8h h LEU 23 CO 0.99 0.92 -0.53 -0.31 0.09 0.00 0.00 178.44 179.60 2d8h s TYR 24 N -4.13 1.61 0.67 1.13 2.02 -1.19 -4.69 117.35 112.78 2d8h s TYR 24 Ca -0.07 -1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 54.99 2d8h s TYR 24 Cb 0.12 -0.74 -0.00 0.00 -0.40 0.00 0.00 41.96 40.94 2d8h s TYR 24 CO 0.82 -0.72 1.07 -1.54 -1.57 0.00 0.00 175.55 173.60 2d8h s SER 25 N -3.35 5.70 -0.24 2.29 1.04 -1.26 -3.06 113.70 114.82 2d8h s SER 25 Ca 0.38 1.20 -0.24 0.00 0.48 0.00 0.00 55.95 57.78 2d8h s SER 25 Cb 0.04 -2.09 0.07 0.00 0.10 0.00 0.00 66.02 64.13 2d8h s SER 25 CO 0.22 -1.18 0.68 0.12 0.98 0.00 0.00 173.24 174.06 2d8h s PHE 26 N -3.28 -0.74 -0.30 5.02 2.19 -0.64 -4.88 117.98 115.35 2d8h s PHE 26 Ca 0.57 1.78 -0.00 0.00 0.33 0.00 0.00 56.93 59.61 2d8h s PHE 26 Cb -0.11 0.26 0.09 0.00 -1.31 0.00 0.00 43.02 41.96 2d8h s PHE 26 CO 0.52 -0.37 0.08 -1.21 1.83 0.00 0.00 175.22 176.07 2d8h s GLU 27 N 0.27 0.83 -0.21 10.12 2.02 -1.26 -2.53 118.70 127.94 2d8h s GLU 27 Ca -0.01 -1.08 -0.29 0.00 0.02 0.00 0.00 54.97 53.61 2d8h s GLU 27 Cb -0.04 -2.14 -0.06 0.00 0.10 0.00 0.00 34.13 31.99 2d8h s GLU 27 CO 0.01 -0.93 2.21 0.41 0.02 0.00 0.00 175.26 176.98 2d8h n GLY 28 N 4.80 1.04 0.26 -1.39 0.00 -1.24 -4.83 105.19 103.84 2d8h n GLY 28 Ca -0.03 0.80 0.06 0.00 0.00 0.00 0.00 46.02 46.85 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 14.59 0.11 -6.20 1.61 1.08 -1.96 -3.43 115.11 120.92 2d8h h GLN 29 Ca -0.41 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 56.28 2d8h h GLN 29 Cb 1.25 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.60 2d8h h GLN 29 CO 0.96 0.12 -0.52 -0.65 -0.95 0.00 0.00 178.83 177.80 2d8h s GLN 30 N -5.05 2.85 0.55 1.46 -1.52 -1.26 -5.02 119.66 111.67 2d8h s GLN 30 Ca -0.05 -1.12 0.33 0.00 -1.95 0.00 0.00 55.36 52.57 2d8h s GLN 30 Cb 0.17 -2.53 1.38 0.00 -0.22 0.00 0.00 33.01 31.81 2d8h s GLN 30 CO 0.69 0.34 1.99 -1.00 -0.25 0.00 0.00 175.29 177.06 2d8h h PRO 31 N 1.46 0.00 0.00 2.91 0.13 -2.02 -2.73 132.00 131.76 2d8h h PRO 31 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2d8h h PRO 31 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2d8h h PRO 31 CO 0.60 0.03 -0.06 0.78 -0.23 0.00 0.00 178.00 179.12 2d8h h GLY 32 N 1.92 0.00 -0.91 1.56 0.00 -1.94 -3.46 103.07 100.24 2d8h h GLY 32 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2d8h h GLY 32 CO 0.00 0.00 0.40 0.99 0.00 0.00 0.00 176.54 177.94 2d8h s ASP 33 N -5.63 2.98 0.00 0.19 1.01 -1.03 -3.69 116.67 110.51 2d8h s ASP 33 Ca 0.08 0.12 0.08 0.00 0.71 0.00 0.00 52.55 53.54 2d8h s ASP 33 Cb 0.08 -0.11 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 2d8h s ASP 33 CO 0.66 -2.80 -0.25 -0.22 0.21 0.00 0.00 175.17 172.76 2d8h s LEU 34 N -5.88 2.08 -0.23 1.23 2.96 -1.19 -4.47 118.68 113.19 2d8h s LEU 34 Ca 0.75 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.12 2d8h s LEU 34 Cb -0.03 -1.26 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 2d8h s LEU 34 CO 0.53 0.28 0.01 0.20 -1.32 0.00 0.00 176.35 176.06 2d8h s ASN 35 N -0.78 4.77 0.28 3.68 0.01 -1.26 -3.66 114.94 117.98 2d8h s ASN 35 Ca 0.10 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.01 2d8h s ASN 35 Cb -0.10 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 2d8h s ASN 35 CO -0.00 0.00 0.17 0.72 -1.51 0.00 0.00 177.10 176.48 2d8h s PHE 36 N 1.38 1.53 0.15 2.20 -0.12 -1.05 -5.01 117.98 117.06 2d8h s PHE 36 Ca 0.05 -1.43 0.06 0.00 -0.05 0.00 0.00 56.93 55.56 2d8h s PHE 36 Cb -0.15 -0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 41.44 2d8h s PHE 36 CO 0.01 -0.61 -0.13 -0.65 -0.05 0.00 0.00 175.22 173.79 2d8h s GLN 37 N -3.83 1.10 -0.58 1.99 1.11 -1.26 -1.61 119.66 116.58 2d8h s GLN 37 Ca 0.37 -1.39 -0.28 0.00 0.01 0.00 0.00 55.36 54.08 2d8h s GLN 37 Cb 0.05 -0.86 -0.11 0.00 -1.01 0.00 0.00 33.01 31.08 2d8h s GLN 37 CO 0.18 0.14 2.45 0.00 0.01 0.00 0.00 175.29 178.08 2d8h n ALA 38 N 0.09 0.76 0.00 6.09 0.00 -1.17 -0.69 120.51 125.59 2d8h n ALA 38 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2d8h n ALA 38 Cb 0.59 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 17.12 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 6.16 1.82 3.68 0.00 0.00 0.37 -4.92 105.19 112.29 2d8h n GLY 39 Ca 0.44 -0.45 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 3.32 -4.72 1.61 9.92 0.14 -4.29 116.55 122.53 2d8h n ASP 40 Ca 0.00 1.08 -0.41 0.00 -0.53 0.00 0.00 54.79 54.93 2d8h n ASP 40 Cb 0.00 -1.46 -0.04 0.00 -0.64 0.00 0.00 41.12 38.98 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 0.95 4.62 -0.20 -1.24 3.00 -1.26 -2.01 118.95 122.81 2d8h s ARG 41 Ca 0.78 1.37 -0.01 0.00 0.00 0.00 0.00 55.73 57.86 2d8h s ARG 41 Cb -0.63 -3.41 0.01 0.00 0.00 0.00 0.00 34.95 30.92 2d8h s ARG 41 CO 0.37 0.13 -0.12 0.42 0.00 0.00 0.00 175.30 176.09 2d8h s ILE 42 N 0.37 2.71 -0.62 1.52 1.01 -0.61 -4.74 121.20 120.84 2d8h s ILE 42 Ca 0.47 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 60.11 2d8h s ILE 42 Cb -0.22 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2d8h s ILE 42 CO 0.28 0.46 1.54 -0.89 0.00 0.00 0.00 174.94 176.33 2d8h s THR 43 N 1.38 3.61 0.03 2.92 2.01 0.13 -3.02 115.64 122.70 2d8h s THR 43 Ca 0.05 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 2d8h s THR 43 Cb -0.14 -4.37 -0.06 0.00 0.01 0.00 0.00 72.50 67.94 2d8h s THR 43 CO -0.08 -1.24 1.49 -0.69 -0.69 0.00 0.00 174.62 173.41 2d8h s VAL 44 N 7.01 3.47 -0.09 3.82 1.01 0.14 0.65 120.40 136.40 2d8h s VAL 44 Ca 0.54 0.88 0.03 0.00 0.00 0.00 0.00 61.98 63.42 2d8h s VAL 44 Cb -0.11 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2d8h s VAL 44 CO 0.21 -0.00 -0.05 2.30 0.00 0.00 0.00 175.10 177.56 2d8h n ILE 45 N 4.67 0.57 -3.55 2.22 -5.35 -0.48 -2.16 119.36 115.28 2d8h n ILE 45 Ca 0.14 -0.25 -0.24 0.00 -0.27 0.00 0.00 62.75 62.12 2d8h n ILE 45 Cb 0.42 -0.84 -0.15 0.00 -1.74 0.00 0.00 39.64 37.34 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 -4.68 2.40 0.20 7.28 0.15 -0.80 -4.97 113.70 113.28 2d8h s SER 46 Ca -0.11 -0.72 -0.01 0.00 0.70 0.00 0.00 55.95 55.82 2d8h s SER 46 Cb 0.03 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2d8h s SER 46 CO 0.26 -0.37 0.12 -1.59 1.20 0.00 0.00 173.24 172.85 2d8h s LYS 47 N 2.19 1.19 0.52 5.44 0.00 -1.26 -0.74 119.74 127.08 2d8h s LYS 47 Ca 0.05 -1.62 0.04 0.00 0.00 0.00 0.00 55.97 54.45 2d8h s LYS 47 Cb -0.16 0.20 0.02 0.00 0.00 0.00 0.00 37.83 37.89 2d8h s LYS 47 CO -0.19 -0.36 0.27 0.95 0.00 0.00 0.00 175.35 176.02 2d8h s THR 48 N -4.09 1.56 -0.38 3.79 -4.23 -1.26 -5.02 115.64 106.01 2d8h s THR 48 Ca 0.37 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 59.19 2d8h s THR 48 Cb 0.07 -2.22 0.08 0.00 1.34 0.00 0.00 72.50 71.77 2d8h s THR 48 CO 0.11 0.00 2.63 0.47 -0.54 0.00 0.00 174.62 177.29 2d8h n ASP 49 N -1.58 6.38 -3.68 3.99 8.00 -1.26 -4.80 116.55 123.60 2d8h n ASP 49 Ca -0.07 -3.11 -0.11 0.00 0.71 0.00 0.00 54.79 52.21 2d8h n ASP 49 Cb 0.65 -1.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.43 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2d8h s SER 50 N 0.43 -0.07 0.36 -2.24 0.01 -1.26 -5.02 113.70 105.91 2d8h s SER 50 Ca 0.52 0.75 0.17 0.00 1.31 0.00 0.00 55.95 58.71 2d8h s SER 50 Cb 0.34 0.86 0.62 0.00 0.21 0.00 0.00 66.02 68.06 2d8h s SER 50 CO -0.15 -0.22 1.71 1.12 0.41 0.00 0.00 173.24 176.12 2d8h h HIS 51 N 7.89 0.00 -0.83 2.43 2.07 -1.96 -3.23 115.15 121.52 2d8h h HIS 51 Ca -0.22 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 56.87 2d8h h HIS 51 Cb 1.13 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 30.96 2d8h h HIS 51 CO 0.32 0.42 0.26 0.34 -3.07 0.00 0.00 177.93 176.20 2d8h n PHE 52 N -3.59 1.32 -3.65 6.12 7.35 -1.26 -3.51 117.46 120.24 2d8h n PHE 52 Ca -0.00 -1.86 -0.11 0.00 -0.76 0.00 0.00 57.45 54.71 2d8h n PHE 52 Cb 0.53 -1.37 -0.05 0.00 0.35 0.00 0.00 39.48 38.93 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 0.62 -0.24 -0.06 -2.13 1.11 -1.22 -5.06 116.67 109.69 2d8h s ASP 53 Ca 0.57 -0.19 -0.26 0.00 0.18 0.00 0.00 52.55 52.86 2d8h s ASP 53 Cb 0.36 0.45 -0.03 0.00 1.07 0.00 0.00 42.92 44.76 2d8h s ASP 53 CO -0.16 -0.76 0.81 0.26 1.18 0.00 0.00 175.17 176.49 2d8h s TRP 54 N -3.21 3.58 0.51 4.23 0.52 -1.26 -2.19 118.94 121.13 2d8h s TRP 54 Ca -0.01 1.40 0.06 0.00 0.02 0.00 0.00 56.10 57.57 2d8h s TRP 54 Cb 0.01 -2.93 0.02 0.00 -1.15 0.00 0.00 33.47 29.42 2d8h s TRP 54 CO -0.08 0.01 0.39 -1.58 0.02 0.00 0.00 176.95 175.71 2d8h s TRP 55 N 1.04 1.89 -0.20 -1.98 0.51 0.89 -4.83 118.94 116.26 2d8h s TRP 55 Ca 0.42 -0.76 0.01 0.00 -2.12 0.00 0.00 56.10 53.66 2d8h s TRP 55 Cb -0.19 -1.97 0.04 0.00 -0.81 0.00 0.00 33.47 30.54 2d8h s TRP 55 CO 0.21 -0.37 -0.13 -2.00 -0.51 0.00 0.00 176.95 174.15 2d8h s GLU 56 N -4.23 2.33 0.41 4.98 2.12 0.09 -0.95 118.70 123.45 2d8h s GLU 56 Ca 0.38 -0.92 0.04 0.00 0.36 0.00 0.00 54.97 54.82 2d8h s GLU 56 Cb -0.02 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 2d8h s GLU 56 CO 0.23 -0.39 0.12 0.20 -0.54 0.00 0.00 175.26 174.88 2d8h s GLY 57 N 1.32 2.62 -0.00 -1.50 0.00 -1.03 -1.38 107.32 107.35 2d8h s GLY 57 Ca -0.01 -1.22 0.07 0.00 0.00 0.00 0.00 44.72 43.57 2d8h s GLY 57 CO -0.09 -1.85 -0.22 0.54 0.00 0.00 0.00 173.10 171.47 2d8h s LYS 58 N -3.73 1.72 -0.06 2.90 1.02 0.21 -2.83 119.74 118.98 2d8h s LYS 58 Ca 0.23 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 2d8h s LYS 58 Cb 0.03 -1.71 0.04 0.00 -0.52 0.00 0.00 37.83 35.67 2d8h s LYS 58 CO 0.14 0.46 0.13 -1.17 -0.92 0.00 0.00 175.35 173.99 2d8h s LEU 59 N -0.67 0.71 -0.94 3.17 2.96 0.36 0.19 118.68 124.46 2d8h s LEU 59 Ca 0.09 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2d8h s LEU 59 Cb -0.09 0.29 0.04 0.00 0.50 0.00 0.00 46.19 46.93 2d8h s LEU 59 CO -0.00 -0.15 0.20 0.54 -1.32 0.00 0.00 176.35 175.62 2d8h n ARG 60 N 4.29 -2.75 0.00 1.98 1.74 -1.26 0.99 116.66 121.65 2d8h n ARG 60 Ca -0.25 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2d8h n ARG 60 Cb 0.51 -5.02 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 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 -0.88 2.96 3.78 -0.13 0.00 -1.26 -5.03 105.19 104.63 2d8h n GLY 61 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.18 2.31 0.02 1.61 -1.52 0.28 -5.05 119.66 117.13 2d8h s GLN 62 Ca 0.00 1.02 -0.01 0.00 -1.95 0.00 0.00 55.36 54.42 2d8h s GLN 62 Cb 0.00 -1.91 -0.02 0.00 -0.22 0.00 0.00 33.01 30.86 2d8h s GLN 62 CO 0.00 -1.56 -0.02 0.99 -0.25 0.00 0.00 175.29 174.45 2d8h s THR 63 N -2.97 0.11 -1.65 -0.19 2.01 -1.26 -0.49 115.64 111.19 2d8h s THR 63 Ca 0.60 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2d8h s THR 63 Cb -0.16 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.07 2d8h s THR 63 CO 0.56 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2d8h n GLY 64 N 1.58 -1.67 3.93 4.40 0.00 -1.13 -4.55 105.19 107.75 2d8h n GLY 64 Ca -0.24 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.07 5.26 -0.08 -0.61 -4.36 -1.24 -2.46 121.20 115.64 2d8h s ILE 65 Ca 0.00 -0.71 -0.30 0.00 -0.26 0.00 0.00 60.65 59.38 2d8h s ILE 65 Cb 0.00 -3.70 0.10 0.00 1.25 0.00 0.00 42.46 40.11 2d8h s ILE 65 CO 0.00 -0.09 0.85 0.72 0.24 0.00 0.00 174.94 176.66 2d8h s PHE 66 N -1.74 -0.47 -0.06 1.37 -0.71 -0.13 -3.18 117.98 113.06 2d8h s PHE 66 Ca 0.34 0.70 -0.30 0.00 -1.04 0.00 0.00 56.93 56.64 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 0.28 -0.50 1.50 -1.25 -1.34 0.00 0.00 175.22 173.91 2d8h s PRO 67 N -1.65 4.22 0.60 1.99 0.04 -1.26 -0.08 135.00 138.86 2d8h s PRO 67 Ca -0.03 2.01 0.35 0.00 0.04 0.00 0.00 61.00 63.37 2d8h s PRO 67 Cb -0.00 -3.81 1.92 0.00 0.04 0.00 0.00 34.50 32.64 2d8h s PRO 67 CO 0.02 -0.74 2.07 0.00 0.04 0.00 0.00 177.00 178.39 2d8h h ALA 68 N 8.74 1.12 0.00 8.56 0.00 -1.61 0.11 119.26 136.18 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 -0.12 0.00 -1.71 0.00 0.00 0.00 179.25 178.36 2d8h n ASN 69 N -2.85 0.60 -0.95 0.00 5.15 -1.23 -1.59 115.26 114.39 2d8h n ASN 69 Ca -0.02 0.66 0.11 0.00 -0.60 0.00 0.00 54.58 54.73 2d8h n ASN 69 Cb 0.18 -0.79 0.27 0.00 -0.53 0.00 0.00 39.78 38.91 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 -2.18 0.47 -4.28 1.20 4.02 0.38 -4.92 117.16 111.84 2d8h n TYR 70 Ca 0.02 -0.24 -0.18 0.00 -0.01 0.00 0.00 57.90 57.49 2d8h n TYR 70 Cb 0.20 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.53 0.06 -0.02 -0.72 -7.23 -0.62 0.70 120.40 111.04 2d8h s VAL 71 Ca 0.36 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2d8h s VAL 71 Cb 0.20 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.66 2d8h s VAL 71 CO 0.29 0.00 0.06 0.28 -0.31 0.00 0.00 175.10 175.41 2d8h s THR 72 N -3.59 0.00 -0.28 5.32 -1.32 -1.18 -4.76 115.64 109.84 2d8h s THR 72 Ca 0.39 -0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 60.63 2d8h s THR 72 Cb 0.04 -0.09 -0.00 0.00 -1.51 0.00 0.00 72.50 70.93 2d8h s THR 72 CO 0.23 -0.00 0.77 -0.04 -2.21 0.00 0.00 174.62 173.36 2d8h s MET 73 N 0.02 4.04 -0.17 7.08 -1.94 -1.26 -2.79 119.30 124.28 2d8h s MET 73 Ca -0.00 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 2d8h s MET 73 Cb -0.00 -3.69 0.04 0.00 2.01 0.00 0.00 34.83 33.18 2d8h s MET 73 CO 0.00 -0.59 -0.09 1.21 -0.01 0.00 0.00 175.02 175.54 2d8h s ASN 74 N 1.52 2.94 -0.27 3.03 3.84 -1.25 -5.00 114.94 119.75 2d8h s ASN 74 Ca 0.32 -0.67 0.11 0.00 0.21 0.00 0.00 52.86 52.83 2d8h s ASN 74 Cb -0.15 -1.08 0.47 0.00 -0.55 0.00 0.00 41.25 39.94 2d8h s ASN 74 CO 0.10 -0.13 1.17 -1.20 -2.79 0.00 0.00 177.10 174.25 2d8h n SER 75 N 4.79 3.89 0.00 -4.21 7.64 -1.26 -4.81 113.62 119.66 2d8h n SER 75 Ca -0.14 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.40 2d8h n SER 75 Cb 0.48 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2d8h n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8h n GLY 76 N -0.69 3.64 3.37 0.23 0.00 -1.26 -5.12 105.19 105.36 2d8h n GLY 76 Ca 0.33 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.80 -3.09 -4.91 1.61 -0.04 -1.26 -5.07 135.00 121.44 2d8h n PRO 77 Ca 0.00 -1.68 -0.30 0.00 -0.04 0.00 0.00 63.50 61.48 2d8h n PRO 77 Cb 0.00 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.74 2d8h n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d8h s SER 78 N -4.33 3.27 0.30 3.54 0.15 -1.26 -5.02 113.70 110.35 2d8h s SER 78 Ca 0.68 -0.55 0.04 0.00 0.70 0.00 0.00 55.95 56.82 2d8h s SER 78 Cb -0.07 -0.35 0.77 0.00 -1.71 0.00 0.00 66.02 64.66 2d8h s SER 78 CO 0.52 0.27 1.46 -1.20 1.20 0.00 0.00 173.24 175.49 2d8h n SER 79 N 1.82 -0.06 0.00 5.45 7.64 -1.26 -5.33 113.62 121.87 2d8h n SER 79 Ca -0.17 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.29 2d8h n SER 79 Cb 0.52 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64