#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 6.33 -0.21 1.61 0.01 -1.26 -5.01 113.70 115.17 2d8h s SER 2 Ca 0.00 0.39 -0.16 0.00 1.31 0.00 0.00 55.95 57.48 2d8h s SER 2 Cb 0.00 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 64.02 2d8h s SER 2 CO 0.00 0.31 -0.11 -1.20 0.41 0.00 0.00 173.24 172.65 2d8h n SER 3 N 2.64 1.89 0.00 2.44 7.64 -1.26 -5.12 113.62 121.86 2d8h n SER 3 Ca -0.18 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2d8h n SER 3 Cb 0.54 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2d8h n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8h n GLY 4 N 1.42 2.35 0.05 0.23 0.00 -1.26 -5.05 105.19 102.93 2d8h n GLY 4 Ca -0.31 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2d8h n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8h n SER 5 N 0.00 1.25 -4.04 1.61 3.41 -1.26 -5.02 113.62 109.57 2d8h n SER 5 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2d8h n SER 5 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2d8h n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8h n SER 6 N -1.85 -0.96 -3.99 4.04 7.64 -1.26 -4.87 113.62 112.37 2d8h n SER 6 Ca 0.00 -1.05 -0.31 0.00 1.01 0.00 0.00 58.87 58.52 2d8h n SER 6 Cb 0.16 -1.33 -0.15 0.00 -1.01 0.00 0.00 64.21 61.88 2d8h n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d8h s GLY 7 N -3.19 1.54 0.02 0.23 0.00 -1.26 -5.10 107.32 99.56 2d8h s GLY 7 Ca 0.53 -1.77 -0.13 0.00 0.00 0.00 0.00 44.72 43.36 2d8h s GLY 7 CO 0.85 0.87 0.26 0.30 0.00 0.00 0.00 173.10 175.39 2d8h s HIS 8 N 1.21 -0.08 -0.18 1.90 4.02 -1.26 -5.12 115.29 115.78 2d8h s HIS 8 Ca -0.02 0.00 -0.29 0.00 1.02 0.00 0.00 55.06 55.77 2d8h s HIS 8 Cb -0.19 0.05 -0.03 0.00 -1.02 0.00 0.00 32.58 31.39 2d8h s HIS 8 CO -0.07 -0.43 1.55 -1.21 1.02 0.00 0.00 174.74 175.60 2d8h s GLU 9 N -2.03 3.96 0.18 1.40 2.02 -1.26 -4.93 118.70 118.03 2d8h s GLU 9 Ca -0.09 1.76 -0.32 0.00 0.02 0.00 0.00 54.97 56.33 2d8h s GLU 9 Cb -0.03 -3.97 -0.15 0.00 0.10 0.00 0.00 34.13 30.07 2d8h s GLU 9 CO -0.00 -1.09 1.19 -2.13 0.02 0.00 0.00 175.26 173.25 2d8h n ARG 10 N 7.36 1.29 -1.87 1.61 0.63 -1.26 -4.89 116.66 119.54 2d8h n ARG 10 Ca 0.17 0.46 -0.33 0.00 -0.92 0.00 0.00 57.85 57.24 2d8h n ARG 10 Cb 0.45 -1.98 0.04 0.00 0.45 0.00 0.00 32.46 31.42 2d8h n ARG 10 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2d8h n VAL 11 N 1.53 3.17 -3.06 5.15 3.14 -1.26 -4.98 118.33 122.02 2d8h n VAL 11 Ca 0.14 -3.99 -0.00 0.00 -2.96 0.00 0.00 64.34 57.53 2d8h n VAL 11 Cb 0.26 -1.20 -0.00 0.00 -1.06 0.00 0.00 33.84 31.83 2d8h n VAL 11 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2d8h n GLY 12 N -0.68 -1.11 3.73 7.55 0.00 -1.26 -4.87 105.19 108.55 2d8h n GLY 12 Ca 0.52 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.05 4.48 -0.50 1.61 0.01 -1.26 -5.00 114.94 113.22 2d8h s ASN 13 Ca -0.01 2.46 0.05 0.00 -0.71 0.00 0.00 52.86 54.66 2d8h s ASN 13 Cb 0.00 -2.60 0.20 0.00 0.41 0.00 0.00 41.25 39.26 2d8h s ASN 13 CO 0.20 -2.08 0.46 0.00 -1.51 0.00 0.00 177.10 174.17 2d8h n LEU 14 N -2.26 0.98 -0.26 0.60 -0.00 -1.26 -4.95 117.00 109.85 2d8h n LEU 14 Ca 0.14 -4.77 0.30 0.00 -0.00 0.00 0.00 56.01 51.69 2d8h n LEU 14 Cb 0.49 0.12 0.46 0.00 -0.00 0.00 0.00 43.42 44.49 2d8h n LEU 14 CO 0.47 1.90 1.25 0.59 -0.00 0.00 0.00 177.39 181.61 2d8h n ASN 15 N 2.09 0.00 -4.18 1.45 3.02 -1.26 -4.17 115.26 112.21 2d8h n ASN 15 Ca 0.26 0.77 -0.22 0.00 -0.03 0.00 0.00 54.58 55.35 2d8h n ASN 15 Cb 0.45 -0.28 -0.14 0.00 -0.61 0.00 0.00 39.78 39.21 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 -4.43 1.14 1.13 3.52 -0.21 -1.26 -5.15 119.66 114.39 2d8h s GLN 16 Ca -0.03 -0.81 -0.16 0.00 0.02 0.00 0.00 55.36 54.38 2d8h s GLN 16 Cb 0.15 -1.19 0.25 0.00 1.00 0.00 0.00 33.01 33.22 2d8h s GLN 16 CO 0.50 0.30 1.10 -1.25 -2.12 0.00 0.00 175.29 173.82 2d8h s PRO 17 N -1.08 -0.60 0.15 2.91 0.04 -1.26 -5.03 135.00 130.13 2d8h s PRO 17 Ca 0.04 0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.33 2d8h s PRO 17 Cb -0.08 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2d8h s PRO 17 CO 0.01 -3.35 -0.20 0.42 0.04 0.00 0.00 177.00 173.92 2d8h s ILE 18 N -2.99 1.88 -0.20 0.56 1.01 0.44 -4.94 121.20 116.97 2d8h s ILE 18 Ca 0.69 -1.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.48 2d8h s ILE 18 Cb -0.13 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 2d8h s ILE 18 CO 0.57 -0.19 -0.03 -1.61 0.00 0.00 0.00 174.94 173.68 2d8h s GLU 19 N -2.47 3.51 0.02 2.79 2.02 -1.26 0.85 118.70 124.15 2d8h s GLU 19 Ca 0.13 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.60 2d8h s GLU 19 Cb -0.08 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 2d8h s GLU 19 CO 0.06 -0.03 -0.14 0.14 0.02 0.00 0.00 175.26 175.31 2d8h s VAL 20 N 1.08 1.11 -0.27 2.63 -7.23 -1.18 -4.73 120.40 111.82 2d8h s VAL 20 Ca 0.01 -0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 2d8h s VAL 20 Cb -0.15 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.78 2d8h s VAL 20 CO 0.00 0.13 0.31 -0.89 -0.31 0.00 0.00 175.10 174.35 2d8h s THR 21 N -0.63 5.23 -0.27 5.32 2.01 -0.96 -1.18 115.64 125.16 2d8h s THR 21 Ca 0.03 0.43 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 2d8h s THR 21 Cb -0.07 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2d8h s THR 21 CO 0.01 0.20 2.08 0.00 -0.69 0.00 0.00 174.62 176.22 2d8h s ALA 22 N 1.88 2.74 0.37 7.40 0.00 -0.97 -1.96 121.76 131.23 2d8h s ALA 22 Ca 0.12 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.75 2d8h s ALA 22 Cb -0.16 -4.06 0.73 0.00 0.00 0.00 0.00 23.12 19.63 2d8h s ALA 22 CO 0.10 -2.80 1.88 -0.07 0.00 0.00 0.00 175.76 174.87 2d8h h LEU 23 N 14.75 0.21 -8.31 0.00 3.38 -1.03 1.15 115.31 125.46 2d8h h LEU 23 Ca -0.38 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 2d8h h LEU 23 Cb 1.21 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 2d8h h LEU 23 CO 0.99 0.42 -0.66 -0.31 0.09 0.00 0.00 178.44 178.97 2d8h s TYR 24 N -4.59 0.64 0.77 1.13 2.02 -1.19 -4.72 117.35 111.41 2d8h s TYR 24 Ca -0.05 -1.13 -0.11 0.00 -0.37 0.00 0.00 57.07 55.41 2d8h s TYR 24 Cb 0.15 -0.42 0.05 0.00 -0.40 0.00 0.00 41.96 41.34 2d8h s TYR 24 CO 0.74 -0.44 1.08 0.45 -1.57 0.00 0.00 175.55 175.82 2d8h s SER 25 N -2.97 4.69 0.16 2.29 0.15 -1.26 -3.60 113.70 113.17 2d8h s SER 25 Ca 0.13 1.44 -0.21 0.00 0.70 0.00 0.00 55.95 58.02 2d8h s SER 25 Cb 0.08 -2.21 0.05 0.00 -1.71 0.00 0.00 66.02 62.23 2d8h s SER 25 CO -0.06 -1.86 0.56 0.12 1.20 0.00 0.00 173.24 173.20 2d8h s PHE 26 N -3.09 -0.40 -0.20 3.44 5.36 -0.85 -4.85 117.98 117.39 2d8h s PHE 26 Ca 0.60 0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.67 2d8h s PHE 26 Cb -0.15 0.49 0.08 0.00 -0.34 0.00 0.00 43.02 43.10 2d8h s PHE 26 CO 0.55 -0.85 0.15 -1.21 -1.46 0.00 0.00 175.22 172.40 2d8h s GLU 27 N -3.79 0.14 -0.70 10.12 2.02 -1.26 -3.28 118.70 121.95 2d8h s GLU 27 Ca 0.03 -0.02 -0.31 0.00 0.02 0.00 0.00 54.97 54.69 2d8h s GLU 27 Cb -0.01 -1.47 -0.15 0.00 0.10 0.00 0.00 34.13 32.60 2d8h s GLU 27 CO -0.10 -0.72 2.49 0.41 0.02 0.00 0.00 175.26 177.36 2d8h n GLY 28 N 5.29 -0.09 0.22 -1.39 0.00 -1.16 -4.77 105.19 103.30 2d8h n GLY 28 Ca -0.06 0.95 -0.03 0.00 0.00 0.00 0.00 46.02 46.88 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 14.43 0.40 -6.56 1.61 4.20 -1.95 -3.44 115.11 123.79 2d8h h GLN 29 Ca -0.15 -0.16 -0.49 0.00 0.06 0.00 0.00 58.65 57.90 2d8h h GLN 29 Cb 1.30 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.07 2d8h h GLN 29 CO 1.24 0.67 -0.13 -0.65 -0.67 0.00 0.00 178.83 179.28 2d8h s GLN 30 N -4.38 3.54 0.00 1.46 -0.21 -1.26 -4.96 119.66 113.85 2d8h s GLN 30 Ca -0.06 -0.15 0.12 0.00 0.02 0.00 0.00 55.36 55.29 2d8h s GLN 30 Cb 0.14 -2.62 0.69 0.00 1.00 0.00 0.00 33.01 32.22 2d8h s GLN 30 CO 0.78 0.12 1.12 -0.35 -2.12 0.00 0.00 175.29 174.85 2d8h n PRO 31 N -1.56 0.49 -1.14 2.91 -0.04 -1.26 -2.54 135.00 131.86 2d8h n PRO 31 Ca -0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 2d8h n PRO 31 Cb 0.55 -1.37 0.11 0.00 -0.04 0.00 0.00 33.50 32.75 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 3.26 2.92 0.55 0.00 -1.26 -5.07 105.19 105.56 2d8h n GLY 32 Ca 0.09 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.37 2.49 -4.36 1.61 8.00 -1.05 -3.56 116.55 119.30 2d8h n ASP 33 Ca 0.14 -2.51 -0.29 0.00 0.71 0.00 0.00 54.79 52.84 2d8h n ASP 33 Cb 0.91 0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.89 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 2.23 -0.21 0.64 2.96 -0.97 -4.48 118.68 118.84 2d8h s LEU 34 Ca 0.20 -0.65 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 2d8h s LEU 34 Cb -0.02 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 2d8h s LEU 34 CO 0.13 0.22 -0.05 0.20 -1.32 0.00 0.00 176.35 175.53 2d8h s ASN 35 N -1.56 4.29 0.31 3.68 0.01 -1.26 -2.97 114.94 117.44 2d8h s ASN 35 Ca 0.12 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 2d8h s ASN 35 Cb -0.10 -1.73 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 2d8h s ASN 35 CO 0.04 0.00 0.22 0.72 -1.51 0.00 0.00 177.10 176.57 2d8h s PHE 36 N 1.33 1.64 0.05 2.20 -0.71 -1.20 -4.99 117.98 116.30 2d8h s PHE 36 Ca 0.04 -1.54 0.03 0.00 -1.04 0.00 0.00 56.93 54.42 2d8h s PHE 36 Cb -0.14 -0.76 -0.03 0.00 -1.21 0.00 0.00 43.02 40.88 2d8h s PHE 36 CO -0.02 -0.73 -0.09 -0.65 -1.34 0.00 0.00 175.22 172.39 2d8h s GLN 37 N -3.64 0.61 -0.64 1.99 1.11 -1.26 -2.00 119.66 115.83 2d8h s GLN 37 Ca 0.38 -0.86 -0.33 0.00 0.01 0.00 0.00 55.36 54.56 2d8h s GLN 37 Cb 0.03 -0.37 -0.15 0.00 -1.01 0.00 0.00 33.01 31.51 2d8h s GLN 37 CO 0.22 0.06 2.42 0.00 0.01 0.00 0.00 175.29 178.01 2d8h n ALA 38 N 1.24 0.62 0.00 6.09 0.00 -1.24 -0.01 120.51 127.21 2d8h n ALA 38 Ca -0.21 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2d8h n ALA 38 Cb 0.55 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 6.53 1.96 3.72 0.00 0.00 0.40 -4.92 105.19 112.88 2d8h n GLY 39 Ca 0.51 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 3.83 -4.70 1.61 8.00 0.98 -4.37 116.55 121.90 2d8h n ASP 40 Ca 0.00 1.08 -0.42 0.00 0.71 0.00 0.00 54.79 56.17 2d8h n ASP 40 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 41.12 39.51 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 0.77 4.47 -0.29 -1.24 3.00 -1.26 -2.28 118.95 122.11 2d8h s ARG 41 Ca 0.73 1.27 -0.06 0.00 0.00 0.00 0.00 55.73 57.68 2d8h s ARG 41 Cb -0.53 -3.49 0.02 0.00 0.00 0.00 0.00 34.95 30.94 2d8h s ARG 41 CO 0.37 -0.14 0.06 0.42 0.00 0.00 0.00 175.30 176.00 2d8h s ILE 42 N 1.39 3.74 -0.71 1.52 1.01 -0.32 -4.72 121.20 123.11 2d8h s ILE 42 Ca 0.47 -0.81 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 2d8h s ILE 42 Cb -0.19 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 2d8h s ILE 42 CO 0.22 0.07 1.94 -0.89 0.00 0.00 0.00 174.94 176.28 2d8h s THR 43 N 1.45 3.35 -0.19 2.92 2.01 0.11 -3.08 115.64 122.22 2d8h s THR 43 Ca 0.02 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2d8h s THR 43 Cb -0.17 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2d8h s THR 43 CO 0.01 -0.84 1.70 -0.69 -0.69 0.00 0.00 174.62 174.11 2d8h s VAL 44 N 9.81 3.58 -0.22 3.82 1.01 0.25 0.11 120.40 138.75 2d8h s VAL 44 Ca 0.71 0.65 0.04 0.00 0.00 0.00 0.00 61.98 63.38 2d8h s VAL 44 Cb -0.11 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 2d8h s VAL 44 CO 0.13 -0.23 -0.16 2.30 0.00 0.00 0.00 175.10 177.14 2d8h n ILE 45 N 6.41 1.29 -3.64 2.22 -5.35 -0.09 -0.42 119.36 119.78 2d8h n ILE 45 Ca 0.20 -0.54 -0.27 0.00 -0.27 0.00 0.00 62.75 61.87 2d8h n ILE 45 Cb 0.45 -1.18 -0.17 0.00 -1.74 0.00 0.00 39.64 37.00 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 -6.04 2.68 0.28 7.28 0.15 -0.42 -4.91 113.70 112.72 2d8h s SER 46 Ca -0.27 -0.77 0.04 0.00 0.70 0.00 0.00 55.95 55.64 2d8h s SER 46 Cb 0.07 -0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 63.96 2d8h s SER 46 CO 0.56 -0.35 0.03 -1.59 1.20 0.00 0.00 173.24 173.09 2d8h s LYS 47 N 2.05 1.49 0.46 5.44 -2.85 -1.26 -0.10 119.74 124.97 2d8h s LYS 47 Ca 0.02 -1.79 0.06 0.00 -1.00 0.00 0.00 55.97 53.26 2d8h s LYS 47 Cb -0.16 -0.71 -0.02 0.00 -2.06 0.00 0.00 37.83 34.87 2d8h s LYS 47 CO -0.12 -0.15 0.22 0.95 0.10 0.00 0.00 175.35 176.35 2d8h s THR 48 N -3.38 1.96 -0.13 3.79 -4.23 -1.26 -5.01 115.64 107.38 2d8h s THR 48 Ca 0.33 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2d8h s THR 48 Cb 0.07 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.28 2d8h s THR 48 CO 0.12 0.00 2.39 -0.90 -0.54 0.00 0.00 174.62 175.70 2d8h n ASP 49 N -1.39 5.74 -3.68 3.99 5.75 -1.26 -4.75 116.55 120.94 2d8h n ASP 49 Ca -0.04 -2.68 -0.10 0.00 -0.01 0.00 0.00 54.79 51.97 2d8h n ASP 49 Cb 0.65 -1.18 -0.10 0.00 -1.03 0.00 0.00 41.12 39.46 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2d8h s SER 50 N 1.36 -0.63 -0.02 -1.12 0.01 -1.26 -5.08 113.70 106.95 2d8h s SER 50 Ca 0.27 1.06 -0.09 0.00 1.31 0.00 0.00 55.95 58.50 2d8h s SER 50 Cb 0.16 0.95 -0.05 0.00 0.21 0.00 0.00 66.02 67.29 2d8h s SER 50 CO -0.02 -0.20 0.53 0.45 0.41 0.00 0.00 173.24 174.40 2d8h h HIS 51 N 6.99 -0.31 -0.93 2.43 3.86 -1.98 -3.27 115.15 121.94 2d8h h HIS 51 Ca -0.34 -0.01 0.39 0.00 -1.16 0.00 0.00 60.37 59.25 2d8h h HIS 51 Cb 1.20 0.10 -0.17 0.00 1.06 0.00 0.00 27.41 29.60 2d8h h HIS 51 CO 0.20 -0.19 0.50 0.34 0.86 0.00 0.00 177.93 179.64 2d8h n PHE 52 N -3.96 1.09 -0.72 2.45 7.35 -1.26 -3.61 117.46 118.80 2d8h n PHE 52 Ca -0.04 1.10 -0.30 0.00 -0.76 0.00 0.00 57.45 57.45 2d8h n PHE 52 Cb 0.13 -1.50 0.20 0.00 0.35 0.00 0.00 39.48 38.65 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 -4.56 2.21 0.03 -2.13 1.11 -1.23 -4.61 116.67 107.48 2d8h s ASP 53 Ca -0.08 1.81 -0.13 0.00 0.18 0.00 0.00 52.55 54.33 2d8h s ASP 53 Cb 0.32 -2.41 -0.06 0.00 1.07 0.00 0.00 42.92 41.84 2d8h s ASP 53 CO 0.73 -3.48 0.40 0.26 1.18 0.00 0.00 175.17 174.26 2d8h s TRP 54 N -2.62 3.67 0.49 4.23 0.52 -1.26 -2.93 118.94 121.04 2d8h s TRP 54 Ca 0.67 0.91 0.05 0.00 0.02 0.00 0.00 56.10 57.75 2d8h s TRP 54 Cb -0.23 -2.23 -0.00 0.00 -1.15 0.00 0.00 33.47 29.86 2d8h s TRP 54 CO 0.61 0.60 0.24 -1.58 0.02 0.00 0.00 176.95 176.83 2d8h s TRP 55 N -1.20 2.01 -0.19 -1.98 0.51 0.67 -4.72 118.94 114.04 2d8h s TRP 55 Ca 0.27 -0.78 0.01 0.00 -2.12 0.00 0.00 56.10 53.48 2d8h s TRP 55 Cb -0.15 -1.87 0.04 0.00 -0.81 0.00 0.00 33.47 30.68 2d8h s TRP 55 CO 0.15 -0.10 -0.10 -2.00 -0.51 0.00 0.00 176.95 174.39 2d8h s GLU 56 N -4.07 1.99 0.20 4.98 2.12 0.86 -1.06 118.70 123.71 2d8h s GLU 56 Ca 0.30 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2d8h s GLU 56 Cb 0.00 -2.37 -0.01 0.00 0.26 0.00 0.00 34.13 32.01 2d8h s GLU 56 CO 0.18 -0.42 0.05 0.41 -0.54 0.00 0.00 175.26 174.94 2d8h n GLY 57 N 4.70 3.75 3.04 -1.50 0.00 -1.05 -0.91 105.19 113.23 2d8h n GLY 57 Ca -0.14 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.74 1.51 -0.01 1.61 1.02 0.30 -2.85 119.74 118.57 2d8h s LYS 58 Ca 0.07 -0.43 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 2d8h s LYS 58 Cb 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.02 2d8h s LYS 58 CO 0.05 0.10 0.07 -1.17 -0.92 0.00 0.00 175.35 173.49 2d8h s LEU 59 N 0.38 1.76 -1.61 3.17 2.96 -0.75 0.06 118.68 124.65 2d8h s LEU 59 Ca -0.09 -0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.69 2d8h s LEU 59 Cb -0.13 0.33 0.08 0.00 0.50 0.00 0.00 46.19 46.98 2d8h s LEU 59 CO 0.02 -0.15 0.40 0.54 -1.32 0.00 0.00 176.35 175.84 2d8h n ARG 60 N 2.42 -2.01 -3.14 1.98 5.12 -1.26 0.73 116.66 120.50 2d8h n ARG 60 Ca -0.17 0.24 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 2d8h n ARG 60 Cb 0.58 -4.38 0.05 0.00 -1.16 0.00 0.00 32.46 27.54 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 -1.88 -0.47 3.38 -0.13 0.00 -1.26 -4.99 105.19 99.83 2d8h n GLY 61 Ca -0.15 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.81 1.60 -0.02 1.61 -0.21 0.22 -5.17 119.66 111.88 2d8h s GLN 62 Ca 0.36 -1.91 -0.04 0.00 0.02 0.00 0.00 55.36 53.80 2d8h s GLN 62 Cb -0.16 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.51 2d8h s GLN 62 CO 0.45 -0.37 0.09 0.99 -2.12 0.00 0.00 175.29 174.34 2d8h s THR 63 N -3.54 0.03 0.00 -0.19 2.01 -1.26 -1.81 115.64 110.88 2d8h s THR 63 Ca 0.35 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2d8h s THR 63 Cb 0.06 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.35 2d8h s THR 63 CO 0.16 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 2d8h n GLY 64 N 2.55 -1.01 3.90 4.40 0.00 -1.13 -4.70 105.19 109.20 2d8h n GLY 64 Ca -0.16 -1.03 -0.28 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 -2.00 5.17 -0.04 -0.61 -4.36 -1.23 -2.53 121.20 115.59 2d8h s ILE 65 Ca 0.00 -0.66 -0.29 0.00 -0.26 0.00 0.00 60.65 59.44 2d8h s ILE 65 Cb 0.00 -3.60 0.09 0.00 1.25 0.00 0.00 42.46 40.19 2d8h s ILE 65 CO 0.00 -0.01 0.76 0.72 0.24 0.00 0.00 174.94 176.65 2d8h s PHE 66 N -1.65 -0.55 -0.06 1.37 -0.12 -0.23 -2.30 117.98 114.45 2d8h s PHE 66 Ca 0.34 0.81 -0.30 0.00 -0.05 0.00 0.00 56.93 57.73 2d8h s PHE 66 Cb -0.12 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 2d8h s PHE 66 CO 0.27 -0.58 1.50 -1.25 -0.05 0.00 0.00 175.22 175.11 2d8h s PRO 67 N -1.75 4.22 0.53 1.99 0.04 -1.26 -0.24 135.00 138.54 2d8h s PRO 67 Ca -0.06 2.01 0.23 0.00 0.04 0.00 0.00 61.00 63.23 2d8h s PRO 67 Cb -0.00 -3.80 1.38 0.00 0.04 0.00 0.00 34.50 32.11 2d8h s PRO 67 CO 0.03 -0.73 2.05 0.00 0.04 0.00 0.00 177.00 178.38 2d8h h ALA 68 N 8.70 2.32 0.00 8.56 0.00 -1.59 0.12 119.26 137.37 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 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2d8h h ALA 68 CO 0.94 -0.45 0.00 -1.71 0.00 0.00 0.00 179.25 178.03 2d8h n ASN 69 N -4.38 0.20 -1.08 0.00 2.85 -1.25 -0.22 115.26 111.37 2d8h n ASN 69 Ca 0.06 0.59 0.11 0.00 -0.11 0.00 0.00 54.58 55.23 2d8h n ASN 69 Cb 0.44 -0.62 0.26 0.00 1.24 0.00 0.00 39.78 41.11 2d8h n ASN 69 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2d8h n TYR 70 N -1.77 0.59 -4.32 1.20 4.02 0.40 -4.90 117.16 112.39 2d8h n TYR 70 Ca -0.00 -0.30 -0.20 0.00 -0.01 0.00 0.00 57.90 57.40 2d8h n TYR 70 Cb 0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.27 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 -1.41 0.12 -0.06 -0.72 -7.23 0.69 -0.44 120.40 111.34 2d8h s VAL 71 Ca 0.39 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.42 2d8h s VAL 71 Cb 0.22 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.72 2d8h s VAL 71 CO 0.30 0.00 0.35 0.28 -0.31 0.00 0.00 175.10 175.72 2d8h s THR 72 N -3.49 0.03 -1.04 5.32 -1.32 -0.83 -4.69 115.64 109.63 2d8h s THR 72 Ca 0.37 -0.27 -0.06 0.00 -1.21 0.00 0.00 61.69 60.52 2d8h s THR 72 Cb 0.03 -0.60 0.27 0.00 -1.51 0.00 0.00 72.50 70.69 2d8h s THR 72 CO 0.23 -0.15 1.06 0.23 -2.21 0.00 0.00 174.62 173.79 2d8h n MET 73 N 1.86 3.39 -2.61 7.08 2.81 -1.26 -2.27 117.12 126.13 2d8h n MET 73 Ca -0.18 -4.48 -0.43 0.00 -1.81 0.00 0.00 57.70 50.79 2d8h n MET 73 Cb 0.57 -2.50 -0.02 0.00 -0.71 0.00 0.00 33.22 30.56 2d8h n MET 73 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2d8h s ASN 74 N 0.38 7.09 -0.80 7.83 3.84 -1.26 -4.99 114.94 127.03 2d8h s ASN 74 Ca 0.30 1.48 -0.11 0.00 0.21 0.00 0.00 52.86 54.75 2d8h s ASN 74 Cb -0.07 -2.54 0.21 0.00 -0.55 0.00 0.00 41.25 38.30 2d8h s ASN 74 CO -0.07 -0.66 0.71 -0.94 -2.79 0.00 0.00 177.10 173.36 2d8h s SER 75 N 1.36 6.44 -0.08 -4.21 1.04 -1.26 -5.01 113.70 111.98 2d8h s SER 75 Ca 0.47 -2.80 -0.23 0.00 0.48 0.00 0.00 55.95 53.87 2d8h s SER 75 Cb -0.17 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 63.87 2d8h s SER 75 CO 0.10 -0.51 0.54 -0.83 0.98 0.00 0.00 173.24 173.53 2d8h s GLY 76 N 1.74 -0.42 0.00 7.32 0.00 -1.26 -5.01 107.32 109.69 2d8h s GLY 76 Ca 0.19 1.10 0.11 0.00 0.00 0.00 0.00 44.72 46.12 2d8h s GLY 76 CO -0.08 0.82 1.11 -1.55 0.00 0.00 0.00 173.10 173.40 2d8h n PRO 77 N 1.49 0.49 -1.21 2.90 -0.04 -1.26 -4.88 135.00 132.49 2d8h n PRO 77 Ca -0.18 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.80 2d8h n PRO 77 Cb 0.56 -1.36 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2d8h n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8h n SER 78 N -0.86 0.48 -3.28 3.54 7.64 -1.26 -4.92 113.62 114.96 2d8h n SER 78 Ca 0.08 0.87 -0.15 0.00 1.01 0.00 0.00 58.87 60.68 2d8h n SER 78 Cb 0.04 -0.66 0.09 0.00 -1.01 0.00 0.00 64.21 62.67 2d8h n SER 78 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2d8h n SER 79 N 2.11 0.42 0.00 6.43 7.64 -1.26 -5.23 113.62 123.73 2d8h n SER 79 Ca 0.19 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.60 2d8h n SER 79 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2d8h n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64