#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8h n SER 2 N 0.00 -3.67 -4.80 1.61 2.88 -1.26 -5.01 113.62 103.38 2d8h n SER 2 Ca 0.00 -0.26 -0.35 0.00 -1.33 0.00 0.00 58.87 56.93 2d8h n SER 2 Cb 0.00 -2.64 -0.05 0.00 -0.75 0.00 0.00 64.21 60.77 2d8h n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d8h s SER 3 N -3.24 6.69 0.82 -3.46 1.04 -1.26 -5.05 113.70 109.24 2d8h s SER 3 Ca 0.22 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.54 2d8h s SER 3 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2d8h s SER 3 CO 0.34 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2d8h n GLY 4 N -0.15 -3.10 3.15 7.32 0.00 -1.26 -5.07 105.19 106.08 2d8h n GLY 4 Ca 0.07 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2d8h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8h s SER 5 N -1.78 -1.36 0.16 1.61 1.04 -1.26 -5.17 113.70 106.95 2d8h s SER 5 Ca 0.00 0.54 0.07 0.00 0.48 0.00 0.00 55.95 57.04 2d8h s SER 5 Cb 0.00 2.02 -0.04 0.00 0.10 0.00 0.00 66.02 68.09 2d8h s SER 5 CO 0.00 -0.25 -0.15 -0.44 0.98 0.00 0.00 173.24 173.38 2d8h s SER 6 N 2.86 2.34 -0.77 7.02 0.01 -1.26 -5.10 113.70 118.80 2d8h s SER 6 Ca 0.16 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2d8h s SER 6 Cb -0.12 -0.11 0.19 0.00 0.21 0.00 0.00 66.02 66.19 2d8h s SER 6 CO -0.22 -0.15 0.60 -0.83 0.41 0.00 0.00 173.24 173.06 2d8h s GLY 7 N -2.87 2.89 0.13 3.44 0.00 -1.26 -5.07 107.32 104.58 2d8h s GLY 7 Ca 0.16 -3.69 -0.22 0.00 0.00 0.00 0.00 44.72 40.97 2d8h s GLY 7 CO 0.05 1.13 0.67 0.30 0.00 0.00 0.00 173.10 175.25 2d8h s HIS 8 N -1.06 3.83 0.14 1.90 3.76 -1.26 -5.04 115.29 117.56 2d8h s HIS 8 Ca 0.24 1.43 -0.30 0.00 -0.15 0.00 0.00 55.06 56.28 2d8h s HIS 8 Cb -0.10 -2.62 -0.07 0.00 1.11 0.00 0.00 32.58 30.90 2d8h s HIS 8 CO -0.11 0.53 1.12 -1.21 -0.85 0.00 0.00 174.74 174.22 2d8h s GLU 9 N -1.24 4.55 0.20 1.40 8.01 -1.26 -5.04 118.70 125.31 2d8h s GLU 9 Ca 0.33 1.73 0.04 0.00 0.01 0.00 0.00 54.97 57.08 2d8h s GLU 9 Cb -0.21 -3.30 -0.05 0.00 -4.31 0.00 0.00 34.13 26.27 2d8h s GLU 9 CO 0.22 -0.02 -0.03 -0.98 0.01 0.00 0.00 175.26 174.47 2d8h s ARG 10 N 0.03 1.25 -0.09 1.61 1.70 -1.26 -5.09 118.95 117.09 2d8h s ARG 10 Ca 0.52 -1.61 -0.39 0.00 -0.47 0.00 0.00 55.73 53.78 2d8h s ARG 10 Cb -0.29 -0.58 -0.17 0.00 -0.57 0.00 0.00 34.95 33.34 2d8h s ARG 10 CO 0.33 -0.06 1.45 1.55 -1.08 0.00 0.00 175.30 177.49 2d8h n VAL 11 N -0.35 0.09 -2.85 4.99 3.14 -1.26 -4.51 118.33 117.59 2d8h n VAL 11 Ca -0.06 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2d8h n VAL 11 Cb 0.63 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.62 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 3.02 -0.81 3.48 7.55 0.00 -1.26 -4.96 105.19 112.21 2d8h n GLY 12 Ca 0.22 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.63 -0.23 1.61 -0.87 -1.26 -5.05 114.94 104.50 2d8h s ASN 13 Ca 0.00 1.18 0.12 0.00 -1.57 0.00 0.00 52.86 52.60 2d8h s ASN 13 Cb 0.00 1.18 0.45 0.00 -0.02 0.00 0.00 41.25 42.86 2d8h s ASN 13 CO 0.00 -0.20 1.19 -0.11 -2.57 0.00 0.00 177.10 175.40 2d8h n LEU 14 N 3.01 3.38 -0.47 0.60 7.94 -1.26 -4.85 117.00 125.36 2d8h n LEU 14 Ca -0.15 -3.98 0.39 0.00 -1.11 0.00 0.00 56.01 51.16 2d8h n LEU 14 Cb 0.56 -0.26 0.67 0.00 0.53 0.00 0.00 43.42 44.93 2d8h n LEU 14 CO 0.07 1.58 1.24 -0.55 -1.11 0.00 0.00 177.39 178.62 2d8h h ASN 15 N 1.75 0.21 -4.34 1.96 7.08 -1.97 -3.38 115.58 116.88 2d8h h ASN 15 Ca 0.12 0.14 -0.48 0.00 -3.08 0.00 0.00 56.30 53.01 2d8h h ASN 15 Cb 1.37 0.14 -0.22 0.00 -2.08 0.00 0.00 38.32 37.52 2d8h h ASN 15 CO 0.37 -0.21 -0.80 0.00 -2.08 0.00 0.00 177.43 174.71 2d8h s GLN 16 N -5.27 0.97 0.95 4.14 -2.07 -1.26 -5.15 119.66 111.98 2d8h s GLN 16 Ca -0.07 -1.01 -0.12 0.00 -1.82 0.00 0.00 55.36 52.34 2d8h s GLN 16 Cb 0.30 -1.08 0.16 0.00 -1.09 0.00 0.00 33.01 31.30 2d8h s GLN 16 CO 0.83 0.25 1.09 -1.25 -1.32 0.00 0.00 175.29 174.89 2d8h s PRO 17 N -1.70 0.80 0.12 9.60 0.04 -1.26 -5.03 135.00 137.57 2d8h s PRO 17 Ca 0.02 0.66 0.10 0.00 0.04 0.00 0.00 61.00 61.82 2d8h s PRO 17 Cb -0.10 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2d8h s PRO 17 CO 0.03 -2.52 -0.24 0.42 0.04 0.00 0.00 177.00 174.74 2d8h s ILE 18 N -2.95 2.48 -0.24 0.56 1.01 -0.29 -4.91 121.20 116.86 2d8h s ILE 18 Ca 0.64 -1.66 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 2d8h s ILE 18 Cb -0.18 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2d8h s ILE 18 CO 0.57 0.10 0.09 -1.61 0.00 0.00 0.00 174.94 174.09 2d8h s GLU 19 N -2.08 3.77 0.09 2.79 2.02 -1.26 0.46 118.70 124.49 2d8h s GLU 19 Ca 0.15 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 54.80 2d8h s GLU 19 Cb -0.10 -3.36 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2d8h s GLU 19 CO 0.07 -0.09 -0.21 0.14 0.02 0.00 0.00 175.26 175.20 2d8h s VAL 20 N 1.38 1.71 -0.34 2.63 -7.23 -1.12 -4.26 120.40 113.16 2d8h s VAL 20 Ca 0.06 -1.47 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 2d8h s VAL 20 Cb -0.15 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.27 2d8h s VAL 20 CO 0.04 -0.00 0.18 -0.89 -0.31 0.00 0.00 175.10 174.12 2d8h s THR 21 N -1.08 4.58 -0.30 5.32 2.01 -1.13 -1.37 115.64 123.66 2d8h s THR 21 Ca 0.07 -0.65 -0.36 0.00 0.31 0.00 0.00 61.69 61.06 2d8h s THR 21 Cb -0.10 -3.45 -0.12 0.00 0.01 0.00 0.00 72.50 68.84 2d8h s THR 21 CO 0.04 -0.09 2.10 0.00 -0.69 0.00 0.00 174.62 175.97 2d8h n ALA 22 N 4.99 0.91 0.12 7.40 0.00 -0.69 -3.17 120.51 130.06 2d8h n ALA 22 Ca -0.13 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 2d8h n ALA 22 Cb 0.47 -2.51 0.18 0.00 0.00 0.00 0.00 19.45 17.60 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 11.39 0.12 -8.07 0.00 3.38 -1.00 0.84 115.31 121.97 2d8h h LEU 23 Ca -0.33 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.47 2d8h h LEU 23 Cb 1.31 -0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.88 2d8h h LEU 23 CO 1.00 0.66 -0.54 -0.31 0.09 0.00 0.00 178.44 179.34 2d8h s TYR 24 N -3.78 0.38 0.78 1.13 2.02 -1.20 -4.76 117.35 111.92 2d8h s TYR 24 Ca -0.03 -0.87 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 2d8h s TYR 24 Cb 0.13 -0.25 0.06 0.00 -0.40 0.00 0.00 41.96 41.49 2d8h s TYR 24 CO 0.77 -0.46 1.08 -1.54 -1.57 0.00 0.00 175.55 173.84 2d8h s SER 25 N -2.90 4.56 -0.00 2.29 1.04 -1.26 -3.80 113.70 113.62 2d8h s SER 25 Ca 0.07 1.65 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 2d8h s SER 25 Cb 0.07 -2.40 0.08 0.00 0.10 0.00 0.00 66.02 63.86 2d8h s SER 25 CO -0.10 -1.98 0.70 0.12 0.98 0.00 0.00 173.24 172.97 2d8h s PHE 26 N -2.98 -0.59 -0.22 5.02 5.36 -0.96 -4.88 117.98 118.74 2d8h s PHE 26 Ca 0.61 0.83 -0.04 0.00 -0.96 0.00 0.00 56.93 57.37 2d8h s PHE 26 Cb -0.16 0.46 0.07 0.00 -0.34 0.00 0.00 43.02 43.05 2d8h s PHE 26 CO 0.56 -0.64 0.09 -1.21 -1.46 0.00 0.00 175.22 172.55 2d8h s GLU 27 N -1.93 0.28 -0.75 10.12 8.01 -1.26 -3.21 118.70 129.96 2d8h s GLU 27 Ca -0.06 -0.35 -0.31 0.00 0.01 0.00 0.00 54.97 54.26 2d8h s GLU 27 Cb -0.00 -1.74 -0.17 0.00 -4.31 0.00 0.00 34.13 27.91 2d8h s GLU 27 CO 0.02 -0.78 2.52 0.41 0.01 0.00 0.00 175.26 177.45 2d8h n GLY 28 N 5.19 -0.18 0.19 -1.39 0.00 -1.18 -4.75 105.19 103.06 2d8h n GLY 28 Ca -0.07 1.00 0.07 0.00 0.00 0.00 0.00 46.02 47.03 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 13.73 0.00 -6.22 1.61 4.20 -1.97 -3.45 115.11 123.00 2d8h h GLN 29 Ca -0.13 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.03 2d8h h GLN 29 Cb 1.31 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.02 2d8h h GLN 29 CO 1.26 0.30 -0.58 -0.65 -0.67 0.00 0.00 178.83 178.49 2d8h s GLN 30 N -3.27 2.72 -0.15 1.46 -0.21 -1.26 -5.07 119.66 113.88 2d8h s GLN 30 Ca 0.03 -1.07 -0.29 0.00 0.02 0.00 0.00 55.36 54.05 2d8h s GLN 30 Cb 0.08 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 2d8h s GLN 30 CO 0.69 0.43 1.56 -1.25 -2.12 0.00 0.00 175.29 174.60 2d8h s PRO 31 N -3.44 4.03 0.00 2.91 0.04 -1.26 -2.82 135.00 134.45 2d8h s PRO 31 Ca 0.31 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2d8h s PRO 31 Cb -0.08 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2d8h s PRO 31 CO 0.22 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2d8h n GLY 32 N 4.25 1.43 2.27 0.56 0.00 -1.26 -5.10 105.19 107.35 2d8h n GLY 32 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.35 -4.38 1.61 9.92 -1.13 -3.04 116.55 116.19 2d8h n ASP 33 Ca 0.00 -0.66 -0.25 0.00 -0.53 0.00 0.00 54.79 53.35 2d8h n ASP 33 Cb 0.00 -0.70 -0.12 0.00 -0.64 0.00 0.00 41.12 39.66 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 2.42 -0.19 0.64 2.96 -0.67 -4.24 118.68 119.59 2d8h s LEU 34 Ca 0.48 -0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2d8h s LEU 34 Cb -0.08 -1.04 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 2d8h s LEU 34 CO 0.40 0.07 -0.10 0.20 -1.32 0.00 0.00 176.35 175.59 2d8h s ASN 35 N -2.56 3.91 0.29 3.68 -0.87 -1.26 -3.12 114.94 115.01 2d8h s ASN 35 Ca 0.17 -0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.02 2d8h s ASN 35 Cb -0.08 -1.64 -0.02 0.00 -0.02 0.00 0.00 41.25 39.49 2d8h s ASN 35 CO 0.08 0.02 0.30 0.72 -2.57 0.00 0.00 177.10 175.65 2d8h s PHE 36 N 1.24 1.33 0.08 2.20 -0.71 -1.20 -4.96 117.98 115.96 2d8h s PHE 36 Ca 0.03 -1.43 0.01 0.00 -1.04 0.00 0.00 56.93 54.50 2d8h s PHE 36 Cb -0.14 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 2d8h s PHE 36 CO -0.05 -0.88 -0.06 -0.65 -1.34 0.00 0.00 175.22 172.24 2d8h s GLN 37 N -3.58 0.71 -0.56 1.99 -0.21 -1.26 -2.27 119.66 114.49 2d8h s GLN 37 Ca 0.36 -1.17 -0.31 0.00 0.02 0.00 0.00 55.36 54.26 2d8h s GLN 37 Cb 0.03 -0.14 -0.13 0.00 1.00 0.00 0.00 33.01 33.77 2d8h s GLN 37 CO 0.20 -0.02 2.39 0.00 -2.12 0.00 0.00 175.29 175.75 2d8h n ALA 38 N 0.35 0.79 0.00 6.09 0.00 -1.25 -0.20 120.51 126.29 2d8h n ALA 38 Ca -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2d8h n ALA 38 Cb 0.59 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 6.37 1.08 3.70 0.00 0.00 0.29 -4.94 105.19 111.69 2d8h n GLY 39 Ca 0.46 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 3.46 -4.65 1.61 8.00 0.71 -4.37 116.55 121.32 2d8h n ASP 40 Ca 0.00 1.10 -0.42 0.00 0.71 0.00 0.00 54.79 56.18 2d8h n ASP 40 Cb 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 39.55 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 0.47 4.21 -0.26 -1.24 3.00 -1.26 -1.71 118.95 122.16 2d8h s ARG 41 Ca 0.73 0.92 -0.09 0.00 0.00 0.00 0.00 55.73 57.29 2d8h s ARG 41 Cb -0.58 -3.62 -0.04 0.00 0.00 0.00 0.00 34.95 30.70 2d8h s ARG 41 CO 0.40 -0.45 0.12 0.42 0.00 0.00 0.00 175.30 175.79 2d8h s ILE 42 N 2.60 4.71 -0.77 1.52 1.01 -0.47 -4.74 121.20 125.06 2d8h s ILE 42 Ca 0.35 -0.04 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 2d8h s ILE 42 Cb -0.16 -3.22 0.02 0.00 0.01 0.00 0.00 42.46 39.11 2d8h s ILE 42 CO 0.09 0.31 1.50 -0.89 0.00 0.00 0.00 174.94 175.94 2d8h s THR 43 N 1.63 3.65 -0.25 2.92 2.01 0.37 -2.79 115.64 123.19 2d8h s THR 43 Ca 0.07 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 2d8h s THR 43 Cb -0.15 -4.64 -0.03 0.00 0.01 0.00 0.00 72.50 67.68 2d8h s THR 43 CO 0.06 -1.58 1.91 -0.69 -0.69 0.00 0.00 174.62 173.63 2d8h s VAL 44 N 6.74 3.34 -0.22 3.82 1.01 0.17 -0.38 120.40 134.88 2d8h s VAL 44 Ca 0.47 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.83 2d8h s VAL 44 Cb -0.08 -3.41 -0.20 0.00 0.00 0.00 0.00 36.38 32.69 2d8h s VAL 44 CO 0.11 -0.23 -0.07 2.30 0.00 0.00 0.00 175.10 177.21 2d8h n ILE 45 N 7.19 1.54 -3.59 2.22 -5.35 -0.44 -1.14 119.36 119.79 2d8h n ILE 45 Ca 0.24 -0.62 -0.21 0.00 -0.27 0.00 0.00 62.75 61.89 2d8h n ILE 45 Cb 0.45 -1.37 -0.15 0.00 -1.74 0.00 0.00 39.64 36.83 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 -6.50 1.54 0.37 7.28 0.15 -0.55 -4.86 113.70 111.14 2d8h s SER 46 Ca -0.29 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.19 2d8h s SER 46 Cb 0.08 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 2d8h s SER 46 CO 0.66 -0.31 0.11 -1.59 1.20 0.00 0.00 173.24 173.31 2d8h s LYS 47 N 2.24 1.81 0.51 5.44 -2.85 -1.26 -0.13 119.74 125.50 2d8h s LYS 47 Ca 0.04 -2.07 0.01 0.00 -1.00 0.00 0.00 55.97 52.95 2d8h s LYS 47 Cb -0.15 -0.63 0.01 0.00 -2.06 0.00 0.00 37.83 35.00 2d8h s LYS 47 CO -0.09 -0.39 0.07 0.25 0.10 0.00 0.00 175.35 175.30 2d8h n THR 48 N -0.81 0.00 -1.01 3.79 -2.24 -1.26 -5.02 114.28 107.73 2d8h n THR 48 Ca -0.04 -2.36 -0.16 0.00 -2.27 0.00 0.00 64.05 59.22 2d8h n THR 48 Cb 0.65 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 2d8h n THR 48 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2d8h n ASP 49 N -1.40 6.13 -3.64 3.42 2.03 -1.26 -4.79 116.55 117.05 2d8h n ASP 49 Ca -0.18 -2.92 -0.09 0.00 0.52 0.00 0.00 54.79 52.12 2d8h n ASP 49 Cb 0.64 -1.17 -0.07 0.00 -0.72 0.00 0.00 41.12 39.80 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2d8h s SER 50 N 0.76 -0.75 -0.12 1.67 0.01 -1.26 -5.07 113.70 108.94 2d8h s SER 50 Ca 0.39 1.32 -0.27 0.00 1.31 0.00 0.00 55.95 58.70 2d8h s SER 50 Cb 0.25 1.32 -0.23 0.00 0.21 0.00 0.00 66.02 67.57 2d8h s SER 50 CO -0.06 -0.22 0.79 1.12 0.41 0.00 0.00 173.24 175.28 2d8h h HIS 51 N 5.73 -0.01 -1.01 2.43 2.07 -1.96 -3.31 115.15 119.09 2d8h h HIS 51 Ca -0.29 -0.00 0.33 0.00 -2.85 0.00 0.00 60.37 57.56 2d8h h HIS 51 Cb 1.19 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.03 2d8h h HIS 51 CO 0.22 0.85 0.58 0.74 -3.07 0.00 0.00 177.93 177.26 2d8h h PHE 52 N -0.93 0.91 -3.87 6.12 -1.00 -1.97 -3.16 116.94 113.03 2d8h h PHE 52 Ca -0.00 0.04 -0.47 0.00 2.81 0.00 0.00 57.97 60.35 2d8h h PHE 52 Cb 0.86 -0.24 0.17 0.00 3.61 0.00 0.00 35.95 40.35 2d8h h PHE 52 CO 0.23 -0.18 0.18 -0.51 -1.61 0.00 0.00 178.31 176.43 2d8h s ASP 53 N -4.89 2.68 0.00 2.17 1.11 -1.25 -4.64 116.67 111.86 2d8h s ASP 53 Ca -0.10 1.51 -0.16 0.00 0.18 0.00 0.00 52.55 53.98 2d8h s ASP 53 Cb 0.30 -2.18 -0.06 0.00 1.07 0.00 0.00 42.92 42.05 2d8h s ASP 53 CO 0.79 -3.14 0.44 0.26 1.18 0.00 0.00 175.17 174.70 2d8h s TRP 54 N -2.80 3.72 0.42 4.23 0.52 -1.26 -2.97 118.94 120.80 2d8h s TRP 54 Ca 0.65 1.04 0.07 0.00 0.02 0.00 0.00 56.10 57.88 2d8h s TRP 54 Cb -0.20 -2.35 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 2d8h s TRP 54 CO 0.59 0.59 0.25 -1.58 0.02 0.00 0.00 176.95 176.82 2d8h s TRP 55 N -0.93 2.60 -0.27 -1.98 0.51 0.68 -4.78 118.94 114.78 2d8h s TRP 55 Ca 0.25 -0.57 -0.01 0.00 -2.12 0.00 0.00 56.10 53.65 2d8h s TRP 55 Cb -0.17 -2.03 0.04 0.00 -0.81 0.00 0.00 33.47 30.50 2d8h s TRP 55 CO 0.14 0.06 -0.05 -2.00 -0.51 0.00 0.00 176.95 174.60 2d8h s GLU 56 N -3.99 2.66 0.24 4.98 2.12 0.81 -1.08 118.70 124.44 2d8h s GLU 56 Ca 0.43 -1.10 0.01 0.00 0.36 0.00 0.00 54.97 54.67 2d8h s GLU 56 Cb 0.01 -3.04 -0.00 0.00 0.26 0.00 0.00 34.13 31.36 2d8h s GLU 56 CO 0.24 -0.48 0.04 0.41 -0.54 0.00 0.00 175.26 174.93 2d8h n GLY 57 N 4.64 3.75 2.97 -1.50 0.00 -1.04 -1.33 105.19 112.68 2d8h n GLY 57 Ca -0.15 -2.16 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 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 -2.90 0.92 -0.01 1.61 1.02 0.49 -2.74 119.74 118.14 2d8h s LYS 58 Ca 0.06 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 2d8h s LYS 58 Cb 0.00 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 2d8h s LYS 58 CO 0.04 0.07 0.10 -1.17 -0.92 0.00 0.00 175.35 173.47 2d8h s LEU 59 N 0.35 1.66 -1.65 3.17 2.96 -0.81 -0.47 118.68 123.89 2d8h s LEU 59 Ca -0.05 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 2d8h s LEU 59 Cb -0.10 0.50 0.08 0.00 0.50 0.00 0.00 46.19 47.17 2d8h s LEU 59 CO 0.01 -0.26 0.23 0.54 -1.32 0.00 0.00 176.35 175.55 2d8h n ARG 60 N 1.96 -1.08 -3.47 1.98 1.74 -1.26 0.11 116.66 116.64 2d8h n ARG 60 Ca -0.20 0.13 -0.23 0.00 -0.77 0.00 0.00 57.85 56.79 2d8h n ARG 60 Cb 0.57 -4.03 0.07 0.00 -1.02 0.00 0.00 32.46 28.05 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 -2.05 -0.49 3.34 -0.13 0.00 -1.26 -5.00 105.19 99.59 2d8h n GLY 61 Ca -0.18 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.18 1.60 -0.05 1.61 -1.52 0.30 -5.17 119.66 110.25 2d8h s GLN 62 Ca 0.53 -1.91 -0.06 0.00 -1.95 0.00 0.00 55.36 51.97 2d8h s GLN 62 Cb -0.23 -0.11 0.01 0.00 -0.22 0.00 0.00 33.01 32.46 2d8h s GLN 62 CO 0.65 -0.45 0.15 0.99 -0.25 0.00 0.00 175.29 176.38 2d8h s THR 63 N -3.60 0.01 0.00 -0.19 2.01 -1.26 -1.92 115.64 110.69 2d8h s THR 63 Ca 0.36 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2d8h s THR 63 Cb 0.05 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.31 2d8h s THR 63 CO 0.17 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2d8h n GLY 64 N 2.77 0.27 3.90 4.40 0.00 -1.11 -4.71 105.19 110.72 2d8h n GLY 64 Ca -0.14 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 5.03 -0.06 -0.61 -4.36 -1.17 -2.49 121.20 115.55 2d8h s ILE 65 Ca 0.00 0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.20 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 -0.23 0.80 0.72 0.24 0.00 0.00 174.94 176.47 2d8h s PHE 66 N -1.97 -0.51 -0.06 1.37 -0.71 -0.24 -1.67 117.98 114.19 2d8h s PHE 66 Ca 0.44 0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 56.79 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 -0.54 1.50 -1.25 -1.34 0.00 0.00 175.22 173.86 2d8h s PRO 67 N -1.70 4.22 0.60 1.99 0.04 -1.26 -0.23 135.00 138.66 2d8h s PRO 67 Ca -0.05 2.01 0.31 0.00 0.04 0.00 0.00 61.00 63.32 2d8h s PRO 67 Cb -0.00 -3.81 1.83 0.00 0.04 0.00 0.00 34.50 32.56 2d8h s PRO 67 CO 0.02 -0.74 2.22 0.00 0.04 0.00 0.00 177.00 178.54 2d8h h ALA 68 N 8.72 1.55 0.00 8.56 0.00 -1.50 0.03 119.26 136.62 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 -0.09 0.00 -1.71 0.00 0.00 0.00 179.25 178.40 2d8h n ASN 69 N -3.75 0.29 -1.08 0.00 5.15 -1.24 -0.81 115.26 113.82 2d8h n ASN 69 Ca -0.02 0.60 0.12 0.00 -0.60 0.00 0.00 54.58 54.68 2d8h n ASN 69 Cb 0.15 -0.65 0.25 0.00 -0.53 0.00 0.00 39.78 39.00 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 -1.85 0.50 -4.28 1.20 4.02 -0.00 -4.95 117.16 111.79 2d8h n TYR 70 Ca 0.01 -0.25 -0.16 0.00 -0.01 0.00 0.00 57.90 57.49 2d8h n TYR 70 Cb 0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 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 -1.50 0.22 -0.02 -0.72 -7.23 0.01 -0.34 120.40 110.81 2d8h s VAL 71 Ca 0.38 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2d8h s VAL 71 Cb 0.22 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.66 2d8h s VAL 71 CO 0.31 0.00 0.02 0.28 -0.31 0.00 0.00 175.10 175.40 2d8h s THR 72 N -3.79 -0.01 -1.19 5.32 -1.32 -1.19 -4.80 115.64 108.65 2d8h s THR 72 Ca 0.38 0.18 -0.17 0.00 -1.21 0.00 0.00 61.69 60.86 2d8h s THR 72 Cb 0.06 -0.12 0.11 0.00 -1.51 0.00 0.00 72.50 71.04 2d8h s THR 72 CO 0.16 0.10 1.54 -0.04 -2.21 0.00 0.00 174.62 174.16 2d8h s MET 73 N 0.99 3.93 -0.50 7.08 -1.94 -1.26 -2.83 119.30 124.77 2d8h s MET 73 Ca -0.09 -2.05 -0.24 0.00 -1.71 0.00 0.00 55.69 51.60 2d8h s MET 73 Cb -0.12 -5.29 0.03 0.00 2.01 0.00 0.00 34.83 31.46 2d8h s MET 73 CO -0.03 -2.04 0.88 1.21 -0.01 0.00 0.00 175.02 175.04 2d8h s ASN 74 N 3.80 6.40 -0.61 3.03 3.84 -1.26 -5.00 114.94 125.14 2d8h s ASN 74 Ca 0.47 -0.18 -0.18 0.00 0.21 0.00 0.00 52.86 53.18 2d8h s ASN 74 Cb 0.00 -2.42 0.12 0.00 -0.55 0.00 0.00 41.25 38.40 2d8h s ASN 74 CO 0.01 -1.08 0.68 -0.44 -2.79 0.00 0.00 177.10 173.48 2d8h s SER 75 N 2.48 6.23 0.09 -4.21 0.01 -1.26 -4.95 113.70 112.10 2d8h s SER 75 Ca 0.31 -1.61 0.08 0.00 1.31 0.00 0.00 55.95 56.05 2d8h s SER 75 Cb -0.12 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2d8h s SER 75 CO 0.22 -1.03 -0.21 -0.83 0.41 0.00 0.00 173.24 171.80 2d8h s GLY 76 N 3.54 1.22 0.80 3.44 0.00 -1.26 -5.15 107.32 109.91 2d8h s GLY 76 Ca 0.11 -1.21 -0.13 0.00 0.00 0.00 0.00 44.72 43.48 2d8h s GLY 76 CO 0.04 -1.20 0.71 -1.55 0.00 0.00 0.00 173.10 171.09 2d8h n PRO 77 N 1.22 -2.41 -4.58 2.90 -0.04 -1.26 -5.05 135.00 125.78 2d8h n PRO 77 Ca -0.19 -1.13 -0.33 0.00 -0.04 0.00 0.00 63.50 61.81 2d8h n PRO 77 Cb 0.53 -1.06 -0.14 0.00 -0.04 0.00 0.00 33.50 32.79 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 -3.41 4.11 -0.47 3.54 0.15 -1.26 -5.08 113.70 111.28 2d8h s SER 78 Ca 0.46 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 2d8h s SER 78 Cb -0.05 -1.64 0.09 0.00 -1.71 0.00 0.00 66.02 62.72 2d8h s SER 78 CO 0.35 0.13 0.36 -0.55 1.20 0.00 0.00 173.24 174.73 2d8h s SER 79 N 0.56 5.90 0.00 5.45 0.15 -1.26 -5.38 113.70 119.12 2d8h s SER 79 Ca -0.07 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2d8h s SER 79 Cb -0.15 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2d8h s SER 79 CO 0.03 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.42