#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 2.60 -0.01 1.61 0.01 -1.26 -5.13 113.70 111.51 2d8h s SER 2 Ca 0.00 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 56.64 2d8h s SER 2 Cb 0.00 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.90 2d8h s SER 2 CO 0.00 0.25 0.53 -0.44 0.41 0.00 0.00 173.24 173.99 2d8h s SER 3 N -0.67 6.89 0.00 2.44 0.01 -1.26 -4.88 113.70 116.24 2d8h s SER 3 Ca 0.09 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.41 2d8h s SER 3 Cb -0.09 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2d8h s SER 3 CO -0.00 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2d8h n GLY 4 N 2.38 0.22 3.73 3.44 0.00 -1.26 -5.09 105.19 108.61 2d8h n GLY 4 Ca -0.09 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.00 6.80 0.06 1.61 1.04 -1.26 -5.00 113.70 112.94 2d8h s SER 5 Ca 0.00 0.95 -0.35 0.00 0.48 0.00 0.00 55.95 57.03 2d8h s SER 5 Cb 0.00 -2.32 -0.19 0.00 0.10 0.00 0.00 66.02 63.61 2d8h s SER 5 CO 0.00 0.01 1.53 -1.28 0.98 0.00 0.00 173.24 174.48 2d8h h SER 6 N 6.46 -1.10 0.00 7.02 0.87 -1.98 -3.46 113.55 121.35 2d8h h SER 6 Ca -0.42 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2d8h h SER 6 Cb 1.19 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2d8h h SER 6 CO 0.74 -0.76 0.00 0.61 -0.53 0.00 0.00 176.83 176.89 2d8h n GLY 7 N -1.62 1.43 3.15 5.77 0.00 -1.26 -4.85 105.19 107.81 2d8h n GLY 7 Ca -0.15 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -1.62 -3.43 1.61 -0.00 -1.26 -4.96 115.22 105.55 2d8h n HIS 8 Ca 0.00 0.21 -0.31 0.00 -0.00 0.00 0.00 57.72 57.61 2d8h n HIS 8 Cb 0.00 -1.48 -0.05 0.00 -0.00 0.00 0.00 29.99 28.46 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 -3.16 3.75 0.40 -0.41 8.01 -1.26 -5.10 118.70 120.93 2d8h s GLU 9 Ca 0.46 0.19 0.08 0.00 0.01 0.00 0.00 54.97 55.71 2d8h s GLU 9 Cb -0.06 -2.67 -0.01 0.00 -4.31 0.00 0.00 34.13 27.08 2d8h s GLU 9 CO 0.57 0.32 0.43 1.03 0.01 0.00 0.00 175.26 177.62 2d8h s ARG 10 N -2.90 2.68 0.53 1.61 0.52 -1.26 -5.06 118.95 115.06 2d8h s ARG 10 Ca 0.46 -1.39 -0.17 0.00 -0.52 0.00 0.00 55.73 54.11 2d8h s ARG 10 Cb -0.11 -2.53 -0.14 0.00 0.52 0.00 0.00 34.95 32.69 2d8h s ARG 10 CO 0.23 -0.17 -0.19 1.55 0.02 0.00 0.00 175.30 176.74 2d8h n VAL 11 N -1.62 0.00 0.04 3.52 3.14 -1.26 -4.92 118.33 117.23 2d8h n VAL 11 Ca 0.04 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 2d8h n VAL 11 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 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 2.48 -0.33 1.79 7.55 0.00 -1.26 -5.16 105.19 110.26 2d8h n GLY 12 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.75 1.18 -1.15 1.61 4.13 -1.26 -4.90 115.26 112.12 2d8h n ASN 13 Ca 0.00 -2.15 -0.06 0.00 1.68 0.00 0.00 54.58 54.05 2d8h n ASN 13 Cb 0.00 0.53 0.02 0.00 -1.54 0.00 0.00 39.78 38.79 2d8h n ASN 13 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2d8h n LEU 14 N 0.00 -2.16 -0.20 3.41 -0.00 -1.26 -4.87 117.00 111.92 2d8h n LEU 14 Ca -0.03 -0.11 0.29 0.00 -0.00 0.00 0.00 56.01 56.15 2d8h n LEU 14 Cb 0.33 -1.13 0.52 0.00 -0.00 0.00 0.00 43.42 43.14 2d8h n LEU 14 CO 0.17 0.13 1.26 0.78 -0.00 0.00 0.00 177.39 179.73 2d8h h ASN 15 N -0.56 0.00 -4.63 1.96 2.35 -2.02 -3.39 115.58 109.30 2d8h h ASN 15 Ca -0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 2d8h h ASN 15 Cb 1.09 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.26 2d8h h ASN 15 CO 0.14 0.00 0.19 -1.10 -1.65 0.00 0.00 177.43 175.01 2d8h s GLN 16 N -4.50 0.96 0.52 0.81 -0.21 -1.26 -5.18 119.66 110.80 2d8h s GLN 16 Ca -0.03 0.48 -0.09 0.00 0.02 0.00 0.00 55.36 55.75 2d8h s GLN 16 Cb 0.15 0.46 0.13 0.00 1.00 0.00 0.00 33.01 34.75 2d8h s GLN 16 CO 0.51 -0.25 0.46 -0.35 -2.12 0.00 0.00 175.29 173.55 2d8h n PRO 17 N 1.46 -1.94 -4.32 2.91 -0.04 -1.26 -5.08 135.00 126.74 2d8h n PRO 17 Ca -0.17 -0.74 -0.19 0.00 -0.04 0.00 0.00 63.50 62.36 2d8h n PRO 17 Cb 0.56 -0.70 -0.10 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.84 1.64 -0.19 0.52 1.01 -0.79 -4.94 121.20 116.62 2d8h s ILE 18 Ca 0.30 -2.06 -0.02 0.00 0.00 0.00 0.00 60.65 58.87 2d8h s ILE 18 Cb -0.03 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 2d8h s ILE 18 CO 0.23 -0.53 -0.09 -1.61 0.00 0.00 0.00 174.94 172.94 2d8h s GLU 19 N -3.33 3.32 0.08 2.79 2.02 -1.26 -0.42 118.70 121.90 2d8h s GLU 19 Ca 0.19 -0.67 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2d8h s GLU 19 Cb -0.02 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 2d8h s GLU 19 CO 0.06 -0.08 -0.18 0.14 0.02 0.00 0.00 175.26 175.22 2d8h s VAL 20 N 1.13 1.42 -0.28 2.63 -7.23 -1.16 -4.82 120.40 112.09 2d8h s VAL 20 Ca 0.01 -1.41 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 2d8h s VAL 20 Cb -0.14 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 2d8h s VAL 20 CO -0.02 -0.12 0.11 -0.89 -0.31 0.00 0.00 175.10 173.86 2d8h s THR 21 N -1.19 4.46 -0.17 5.32 2.01 -1.21 -1.45 115.64 123.41 2d8h s THR 21 Ca 0.03 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 2d8h s THR 21 Cb -0.10 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 2d8h s THR 21 CO 0.03 0.21 2.15 0.00 -0.69 0.00 0.00 174.62 176.32 2d8h n ALA 22 N 4.95 1.65 0.04 7.40 0.00 -0.96 -3.01 120.51 130.57 2d8h n ALA 22 Ca -0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 2d8h n ALA 22 Cb 0.50 -2.82 0.23 0.00 0.00 0.00 0.00 19.45 17.35 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 13.63 0.42 -8.62 0.00 3.38 -1.15 1.17 115.31 124.14 2d8h h LEU 23 Ca -0.42 -0.14 -0.26 0.00 0.09 0.00 0.00 57.88 57.15 2d8h h LEU 23 Cb 1.25 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 2d8h h LEU 23 CO 0.96 0.68 -0.61 -0.31 0.09 0.00 0.00 178.44 179.25 2d8h s TYR 24 N -4.47 1.22 0.85 1.13 2.02 -1.20 -4.71 117.35 112.19 2d8h s TYR 24 Ca -0.06 -1.40 -0.12 0.00 -0.37 0.00 0.00 57.07 55.12 2d8h s TYR 24 Cb 0.14 -0.58 0.10 0.00 -0.40 0.00 0.00 41.96 41.22 2d8h s TYR 24 CO 0.78 -0.66 1.11 -1.54 -1.57 0.00 0.00 175.55 173.68 2d8h s SER 25 N -3.18 4.01 -0.01 2.29 1.04 -1.26 -3.42 113.70 113.17 2d8h s SER 25 Ca 0.39 1.17 -0.29 0.00 0.48 0.00 0.00 55.95 57.70 2d8h s SER 25 Cb 0.07 -1.84 0.08 0.00 0.10 0.00 0.00 66.02 64.43 2d8h s SER 25 CO 0.13 -2.26 0.73 0.12 0.98 0.00 0.00 173.24 172.94 2d8h s PHE 26 N -3.19 -0.56 -0.20 5.02 2.19 -1.01 -4.88 117.98 115.34 2d8h s PHE 26 Ca 0.62 0.79 -0.05 0.00 0.33 0.00 0.00 56.93 58.63 2d8h s PHE 26 Cb -0.15 0.46 0.07 0.00 -1.31 0.00 0.00 43.02 42.10 2d8h s PHE 26 CO 0.54 -0.62 0.12 -1.21 1.83 0.00 0.00 175.22 175.88 2d8h s GLU 27 N -1.93 0.11 -0.62 10.12 2.02 -1.26 -3.47 118.70 123.66 2d8h s GLU 27 Ca -0.05 -0.15 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 2d8h s GLU 27 Cb -0.00 -1.60 -0.13 0.00 0.10 0.00 0.00 34.13 32.49 2d8h s GLU 27 CO 0.02 -0.75 2.45 0.41 0.02 0.00 0.00 175.26 177.41 2d8h n GLY 28 N 5.28 0.04 0.29 -1.39 0.00 -1.06 -4.78 105.19 103.56 2d8h n GLY 28 Ca -0.07 0.90 0.02 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 15.13 0.50 -6.23 1.61 4.20 -1.96 -3.43 115.11 124.93 2d8h h GLN 29 Ca -0.18 -0.07 -0.46 0.00 0.06 0.00 0.00 58.65 58.00 2d8h h GLN 29 Cb 1.30 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2d8h h GLN 29 CO 1.20 0.44 -0.40 -0.65 -0.67 0.00 0.00 178.83 178.75 2d8h s GLN 30 N -5.21 3.44 0.00 1.46 -1.52 -1.26 -4.98 119.66 111.59 2d8h s GLN 30 Ca -0.08 -0.71 0.16 0.00 -1.95 0.00 0.00 55.36 52.78 2d8h s GLN 30 Cb 0.16 -2.86 0.93 0.00 -0.22 0.00 0.00 33.01 31.02 2d8h s GLN 30 CO 0.74 0.39 1.35 -0.35 -0.25 0.00 0.00 175.29 177.17 2d8h n PRO 31 N -1.46 0.48 -0.35 2.91 -0.04 -1.26 -2.39 135.00 132.89 2d8h n PRO 31 Ca -0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.45 2d8h n PRO 31 Cb 0.57 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 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 4.94 2.10 0.55 0.00 -1.26 -5.04 105.19 106.46 2d8h n GLY 32 Ca 0.12 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.24 1.88 -4.43 1.61 9.92 -1.00 -3.47 116.55 119.82 2d8h n ASP 33 Ca 0.19 -2.02 -0.27 0.00 -0.53 0.00 0.00 54.79 52.16 2d8h n ASP 33 Cb 0.70 -0.04 -0.12 0.00 -0.64 0.00 0.00 41.12 41.02 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 2.46 -0.21 0.64 2.96 -1.20 -4.33 118.68 119.00 2d8h s LEU 34 Ca 0.19 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 2d8h s LEU 34 Cb -0.01 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.53 2d8h s LEU 34 CO 0.12 0.11 -0.15 0.20 -1.32 0.00 0.00 176.35 175.31 2d8h s ASN 35 N -2.75 3.63 0.28 3.68 -0.87 -1.26 -2.58 114.94 115.07 2d8h s ASN 35 Ca 0.22 -0.78 0.04 0.00 -1.57 0.00 0.00 52.86 50.77 2d8h s ASN 35 Cb -0.08 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.25 39.58 2d8h s ASN 35 CO 0.10 -0.05 0.22 0.72 -2.57 0.00 0.00 177.10 175.53 2d8h s PHE 36 N 1.28 1.54 0.13 2.20 -0.12 -1.23 -4.98 117.98 116.81 2d8h s PHE 36 Ca 0.02 -1.56 0.03 0.00 -0.05 0.00 0.00 56.93 55.37 2d8h s PHE 36 Cb -0.15 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.54 2d8h s PHE 36 CO -0.09 -0.78 -0.06 -0.65 -0.05 0.00 0.00 175.22 173.58 2d8h s GLN 37 N -3.71 0.96 -0.50 1.99 -0.21 -1.26 -2.40 119.66 114.52 2d8h s GLN 37 Ca 0.40 -1.41 -0.29 0.00 0.02 0.00 0.00 55.36 54.09 2d8h s GLN 37 Cb 0.04 -0.35 -0.10 0.00 1.00 0.00 0.00 33.01 33.61 2d8h s GLN 37 CO 0.22 -0.01 2.39 0.00 -2.12 0.00 0.00 175.29 175.77 2d8h n ALA 38 N -0.13 0.92 0.00 6.09 0.00 -1.22 -0.75 120.51 125.42 2d8h n ALA 38 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2d8h n ALA 38 Cb 0.61 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.15 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 6.14 1.22 3.72 0.00 0.00 0.40 -4.93 105.19 111.75 2d8h n GLY 39 Ca 0.41 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.98 -4.71 1.61 8.00 0.07 -4.38 116.55 121.11 2d8h n ASP 40 Ca 0.00 1.06 -0.42 0.00 0.71 0.00 0.00 54.79 56.14 2d8h n ASP 40 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 39.50 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 1.16 4.56 -0.18 -1.24 3.00 -1.26 -2.27 118.95 122.72 2d8h s ARG 41 Ca 0.75 1.37 -0.02 0.00 0.00 0.00 0.00 55.73 57.84 2d8h s ARG 41 Cb -0.51 -3.45 -0.01 0.00 0.00 0.00 0.00 34.95 30.98 2d8h s ARG 41 CO 0.32 -0.01 -0.09 0.42 0.00 0.00 0.00 175.30 175.95 2d8h s ILE 42 N 0.86 3.11 -0.60 1.52 1.01 -0.53 -4.77 121.20 121.81 2d8h s ILE 42 Ca 0.50 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 2d8h s ILE 42 Cb -0.21 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2d8h s ILE 42 CO 0.27 0.47 1.56 -0.89 0.00 0.00 0.00 174.94 176.36 2d8h s THR 43 N 1.05 3.61 -0.34 2.92 2.01 0.19 -3.01 115.64 122.06 2d8h s THR 43 Ca -0.00 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 2d8h s THR 43 Cb -0.15 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.04 2d8h s THR 43 CO -0.01 -1.17 1.68 -0.69 -0.69 0.00 0.00 174.62 173.74 2d8h s VAL 44 N 7.06 3.60 -0.22 3.82 1.01 0.44 0.12 120.40 136.22 2d8h s VAL 44 Ca 0.56 0.61 0.01 0.00 0.00 0.00 0.00 61.98 63.17 2d8h s VAL 44 Cb -0.12 -3.80 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 2d8h s VAL 44 CO 0.22 -0.50 -0.07 2.30 0.00 0.00 0.00 175.10 177.05 2d8h n ILE 45 N 7.28 1.55 -3.74 2.22 -5.35 -0.34 -1.89 119.36 119.09 2d8h n ILE 45 Ca 0.21 -0.61 -0.24 0.00 -0.27 0.00 0.00 62.75 61.84 2d8h n ILE 45 Cb 0.47 -1.42 -0.17 0.00 -1.74 0.00 0.00 39.64 36.78 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 -6.56 1.98 0.20 7.28 0.15 -0.75 -4.97 113.70 111.04 2d8h s SER 46 Ca -0.30 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 2d8h s SER 46 Cb 0.08 -0.45 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 2d8h s SER 46 CO 0.65 -0.24 0.28 2.29 1.20 0.00 0.00 173.24 177.42 2d8h n LYS 47 N 5.14 0.40 -3.75 5.44 2.85 -1.26 -0.24 118.16 126.74 2d8h n LYS 47 Ca -0.07 -1.56 -0.12 0.00 -1.05 0.00 0.00 58.31 55.51 2d8h n LYS 47 Cb 0.49 1.51 -0.07 0.00 -0.65 0.00 0.00 35.03 36.31 2d8h n LYS 47 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2d8h s THR 48 N -2.64 0.08 0.36 0.58 -1.32 -1.26 -5.03 115.64 106.41 2d8h s THR 48 Ca 0.16 -0.65 0.19 0.00 -1.21 0.00 0.00 61.69 60.18 2d8h s THR 48 Cb -0.01 -0.92 0.35 0.00 -1.51 0.00 0.00 72.50 70.42 2d8h s THR 48 CO 0.11 -0.36 1.60 -2.24 -2.21 0.00 0.00 174.62 171.53 2d8h h ASP 49 N 3.25 0.37 -2.81 8.08 2.03 -2.03 -3.36 116.42 121.95 2d8h h ASP 49 Ca -0.32 0.24 -0.56 0.00 -0.73 0.00 0.00 57.03 55.66 2d8h h ASP 49 Cb 1.20 0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 39.90 2d8h h ASP 49 CO 0.45 -0.35 0.97 -0.94 -1.03 0.00 0.00 179.24 178.35 2d8h s SER 50 N -4.63 6.84 0.03 4.15 1.04 -1.26 -4.91 113.70 114.96 2d8h s SER 50 Ca -0.09 1.86 -0.16 0.00 0.48 0.00 0.00 55.95 58.03 2d8h s SER 50 Cb 0.33 -2.54 -0.35 0.00 0.10 0.00 0.00 66.02 63.56 2d8h s SER 50 CO 0.78 -0.83 1.00 1.12 0.98 0.00 0.00 173.24 176.29 2d8h h HIS 51 N 8.70 0.97 -0.91 5.02 2.07 -1.98 -3.31 115.15 125.71 2d8h h HIS 51 Ca -0.31 -0.70 0.26 0.00 -2.85 0.00 0.00 60.37 56.77 2d8h h HIS 51 Cb 1.13 -0.04 -0.15 0.00 2.57 0.00 0.00 27.41 30.92 2d8h h HIS 51 CO 0.83 1.55 0.24 0.35 -3.07 0.00 0.00 177.93 177.83 2d8h h PHE 52 N 0.12 0.36 -3.16 6.12 3.57 -1.94 -3.32 116.94 118.69 2d8h h PHE 52 Ca -0.25 0.05 -0.42 0.00 3.53 0.00 0.00 57.97 60.88 2d8h h PHE 52 Cb 2.13 -0.01 0.21 0.00 2.79 0.00 0.00 35.95 41.07 2d8h h PHE 52 CO 0.13 -0.26 -0.03 -0.51 -2.23 0.00 0.00 178.31 175.41 2d8h s ASP 53 N -5.03 0.32 -0.09 0.41 1.11 -1.25 -4.69 116.67 107.45 2d8h s ASP 53 Ca -0.12 1.31 -0.13 0.00 0.18 0.00 0.00 52.55 53.80 2d8h s ASP 53 Cb 0.27 -2.00 -0.05 0.00 1.07 0.00 0.00 42.92 42.21 2d8h s ASP 53 CO 0.77 -4.58 0.30 0.26 1.18 0.00 0.00 175.17 173.11 2d8h s TRP 54 N -2.41 3.60 0.40 4.23 0.52 -1.26 -3.46 118.94 120.56 2d8h s TRP 54 Ca 0.69 0.73 0.08 0.00 0.02 0.00 0.00 56.10 57.61 2d8h s TRP 54 Cb -0.22 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 29.84 2d8h s TRP 54 CO 0.63 0.51 0.28 -1.58 0.02 0.00 0.00 176.95 176.81 2d8h s TRP 55 N -0.47 2.69 -0.17 -1.98 0.51 0.01 -4.88 118.94 114.65 2d8h s TRP 55 Ca 0.19 -0.50 0.01 0.00 -2.12 0.00 0.00 56.10 53.68 2d8h s TRP 55 Cb -0.14 -2.01 0.02 0.00 -0.81 0.00 0.00 33.47 30.52 2d8h s TRP 55 CO 0.08 0.05 -0.18 -2.00 -0.51 0.00 0.00 176.95 174.38 2d8h s GLU 56 N -4.01 2.80 0.46 4.98 2.12 0.67 -0.94 118.70 124.78 2d8h s GLU 56 Ca 0.44 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 55.04 2d8h s GLU 56 Cb -0.01 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 2d8h s GLU 56 CO 0.25 -0.21 0.09 0.20 -0.54 0.00 0.00 175.26 175.05 2d8h s GLY 57 N 1.33 2.87 -0.04 -1.50 0.00 -1.01 -1.20 107.32 107.76 2d8h s GLY 57 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.06 2d8h s GLY 57 CO -0.12 -1.98 -0.12 0.54 0.00 0.00 0.00 173.10 171.41 2d8h s LYS 58 N -3.75 1.44 -0.05 2.90 1.02 0.12 -2.82 119.74 118.59 2d8h s LYS 58 Ca 0.14 -0.43 -0.07 0.00 0.02 0.00 0.00 55.97 55.63 2d8h s LYS 58 Cb 0.01 -1.26 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 2d8h s LYS 58 CO 0.09 0.12 0.19 -1.17 -0.92 0.00 0.00 175.35 173.67 2d8h s LEU 59 N 0.31 1.29 -1.65 3.17 2.96 -0.83 -0.64 118.68 123.29 2d8h s LEU 59 Ca -0.07 0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.93 2d8h s LEU 59 Cb -0.12 0.71 0.13 0.00 0.50 0.00 0.00 46.19 47.41 2d8h s LEU 59 CO 0.02 -0.16 0.75 0.54 -1.32 0.00 0.00 176.35 176.18 2d8h n ARG 60 N 2.53 -3.39 -3.33 1.98 1.74 -1.26 -0.15 116.66 114.78 2d8h n ARG 60 Ca -0.15 0.40 -0.20 0.00 -0.77 0.00 0.00 57.85 57.12 2d8h n ARG 60 Cb 0.58 -5.04 0.06 0.00 -1.02 0.00 0.00 32.46 27.04 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 -1.53 -0.32 3.28 -0.13 0.00 -1.26 -5.01 105.19 100.22 2d8h n GLY 61 Ca 0.01 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.00 1.27 -0.01 1.61 -0.21 0.78 -5.17 119.66 111.94 2d8h s GLN 62 Ca 0.45 -1.66 0.01 0.00 0.02 0.00 0.00 55.36 54.18 2d8h s GLN 62 Cb -0.20 -0.23 0.00 0.00 1.00 0.00 0.00 33.01 33.58 2d8h s GLN 62 CO 0.56 -0.23 -0.03 0.99 -2.12 0.00 0.00 175.29 174.46 2d8h s THR 63 N -3.74 0.26 0.02 -0.19 2.01 -1.26 -1.97 115.64 110.77 2d8h s THR 63 Ca 0.32 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2d8h s THR 63 Cb 0.07 -0.24 0.11 0.00 0.01 0.00 0.00 72.50 72.44 2d8h s THR 63 CO 0.09 0.09 1.22 -0.83 -0.69 0.00 0.00 174.62 174.50 2d8h s GLY 64 N 0.08 -0.31 0.16 4.40 0.00 -1.13 -4.63 107.32 105.89 2d8h s GLY 64 Ca -0.00 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.19 2d8h s GLY 64 CO -0.00 1.00 0.30 -0.26 0.00 0.00 0.00 173.10 174.13 2d8h s ILE 65 N -2.49 5.31 -0.11 0.90 -4.36 -1.23 -2.41 121.20 116.83 2d8h s ILE 65 Ca 0.16 -0.71 -0.30 0.00 -0.26 0.00 0.00 60.65 59.54 2d8h s ILE 65 Cb 0.03 -3.76 0.11 0.00 1.25 0.00 0.00 42.46 40.09 2d8h s ILE 65 CO -0.02 -0.13 0.93 0.72 0.24 0.00 0.00 174.94 176.69 2d8h s PHE 66 N -1.78 -0.40 -0.06 1.37 -0.71 -0.11 -3.27 117.98 113.02 2d8h s PHE 66 Ca 0.35 0.58 -0.30 0.00 -1.04 0.00 0.00 56.93 56.52 2d8h s PHE 66 Cb -0.11 0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 42.12 2d8h s PHE 66 CO 0.29 -0.42 1.50 -1.25 -1.34 0.00 0.00 175.22 173.99 2d8h s PRO 67 N -1.63 4.22 0.48 1.99 0.04 -1.26 -0.81 135.00 138.03 2d8h s PRO 67 Ca -0.01 2.01 0.31 0.00 0.04 0.00 0.00 61.00 63.35 2d8h s PRO 67 Cb -0.01 -3.81 1.68 0.00 0.04 0.00 0.00 34.50 32.41 2d8h s PRO 67 CO -0.00 -0.74 1.94 0.00 0.04 0.00 0.00 177.00 178.25 2d8h h ALA 68 N 8.71 1.03 0.00 8.56 0.00 -1.65 0.07 119.26 135.98 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 -0.03 0.00 -0.97 0.00 0.00 0.00 179.25 179.20 2d8h h ASN 69 N 0.00 0.00 0.58 0.00 -1.24 -1.85 -1.94 115.58 111.13 2d8h h ASN 69 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2d8h h ASN 69 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 2d8h h ASN 69 CO 0.00 0.00 -0.50 -1.22 -1.29 0.00 0.00 177.43 174.42 2d8h n TYR 70 N -2.49 0.08 -4.65 0.67 4.02 0.01 -4.91 117.16 109.88 2d8h n TYR 70 Ca 0.01 0.02 -0.29 0.00 -0.01 0.00 0.00 57.90 57.64 2d8h n TYR 70 Cb 0.24 -0.32 -0.10 0.00 -0.02 0.00 0.00 39.34 39.13 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 -3.03 1.64 0.07 -0.72 -7.23 -0.73 -0.57 120.40 109.84 2d8h s VAL 71 Ca 0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 2d8h s VAL 71 Cb 0.17 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2d8h s VAL 71 CO 0.69 0.00 -0.07 0.28 -0.31 0.00 0.00 175.10 175.70 2d8h s THR 72 N -2.82 0.58 -0.72 5.32 -1.32 -1.16 -4.83 115.64 110.70 2d8h s THR 72 Ca 0.25 -1.61 -0.01 0.00 -1.21 0.00 0.00 61.69 59.11 2d8h s THR 72 Cb 0.07 -1.27 0.40 0.00 -1.51 0.00 0.00 72.50 70.19 2d8h s THR 72 CO 0.13 -0.71 1.92 0.23 -2.21 0.00 0.00 174.62 173.97 2d8h n MET 73 N 0.52 2.83 -2.90 7.08 2.81 -1.26 -3.32 117.12 122.88 2d8h n MET 73 Ca -0.16 -3.54 -0.43 0.00 -1.81 0.00 0.00 57.70 51.75 2d8h n MET 73 Cb 0.59 -2.28 -0.04 0.00 -0.71 0.00 0.00 33.22 30.78 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 -1.70 6.22 1.27 7.83 2.47 -1.26 -5.03 114.94 124.74 2d8h s ASN 74 Ca 0.57 -1.16 -0.16 0.00 0.42 0.00 0.00 52.86 52.52 2d8h s ASN 74 Cb 0.46 -2.40 0.32 0.00 -1.45 0.00 0.00 41.25 38.19 2d8h s ASN 74 CO -0.22 -1.36 0.96 -1.20 -3.72 0.00 0.00 177.10 171.57 2d8h n SER 75 N 7.38 -2.49 0.00 -4.21 7.64 -1.26 -4.78 113.62 115.90 2d8h n SER 75 Ca -0.02 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.48 2d8h n SER 75 Cb 0.45 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 1.29 0.85 3.75 0.23 0.00 -1.26 -4.75 105.19 105.30 2d8h n GLY 76 Ca 0.05 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 1.90 0.29 1.61 0.04 -1.26 -5.07 135.00 132.51 2d8h s PRO 77 Ca 0.00 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.19 2d8h s PRO 77 Cb 0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2d8h s PRO 77 CO 0.00 -1.86 -0.07 -1.12 0.04 0.00 0.00 177.00 173.99 2d8h s SER 78 N -3.40 4.10 0.17 6.66 0.01 -1.26 -5.04 113.70 114.94 2d8h s SER 78 Ca 0.62 -0.89 -0.22 0.00 1.31 0.00 0.00 55.95 56.77 2d8h s SER 78 Cb -0.17 -0.56 0.09 0.00 0.21 0.00 0.00 66.02 65.58 2d8h s SER 78 CO 0.56 -0.06 1.59 -1.28 0.41 0.00 0.00 173.24 174.47 2d8h h SER 79 N 2.00 -1.12 0.00 2.44 0.87 -1.99 -3.55 113.55 112.19 2d8h h SER 79 Ca -0.42 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2d8h h SER 79 Cb 1.25 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 2d8h h SER 79 CO 0.62 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.22