#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 6.35 -0.28 1.61 0.01 -1.26 -5.09 113.70 115.04 2d8h s SER 2 Ca 0.00 1.06 -0.24 0.00 1.31 0.00 0.00 55.95 58.08 2d8h s SER 2 Cb 0.00 -2.30 0.12 0.00 0.21 0.00 0.00 66.02 64.04 2d8h s SER 2 CO 0.00 -0.55 0.98 -0.55 0.41 0.00 0.00 173.24 173.54 2d8h s SER 3 N -3.77 -0.50 0.00 2.44 0.15 -1.26 -5.10 113.70 105.66 2d8h s SER 3 Ca 0.50 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2d8h s SER 3 Cb -0.10 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 2d8h s SER 3 CO 0.41 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2d8h n GLY 4 N 2.42 0.28 3.33 9.45 0.00 -1.26 -5.10 105.19 114.31 2d8h n GLY 4 Ca -0.13 -0.19 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 6.50 0.22 1.61 1.04 -1.26 -5.00 113.70 116.81 2d8h s SER 5 Ca 0.00 -2.21 -0.16 0.00 0.48 0.00 0.00 55.95 54.06 2d8h s SER 5 Cb 0.00 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.90 2d8h s SER 5 CO 0.00 -0.76 0.53 -0.94 0.98 0.00 0.00 173.24 173.05 2d8h s SER 6 N 2.91 -0.19 0.00 7.02 1.04 -1.26 -5.06 113.70 118.16 2d8h s SER 6 Ca 0.13 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2d8h s SER 6 Cb -0.18 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2d8h s SER 6 CO -0.03 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2d8h n GLY 7 N -0.37 0.86 2.53 7.32 0.00 -1.26 -5.09 105.19 109.18 2d8h n GLY 7 Ca -0.06 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 2d8h n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2d8h s HIS 8 N -2.00 1.67 -0.59 1.61 5.04 -1.26 -5.08 115.29 114.68 2d8h s HIS 8 Ca 0.00 -2.50 -0.28 0.00 -1.54 0.00 0.00 55.06 50.74 2d8h s HIS 8 Cb 0.00 -1.38 -0.11 0.00 0.04 0.00 0.00 32.58 31.13 2d8h s HIS 8 CO 0.00 -0.76 2.47 0.39 -2.34 0.00 0.00 174.74 174.49 2d8h n GLU 9 N 2.80 0.83 -1.94 2.88 1.02 -1.26 -4.90 120.64 120.07 2d8h n GLU 9 Ca 0.25 0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 57.05 2d8h n GLU 9 Cb 0.43 -2.94 0.04 0.00 -0.02 0.00 0.00 31.44 28.95 2d8h n GLU 9 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2d8h s ARG 10 N 8.28 3.06 0.16 3.49 0.52 -1.26 -4.93 118.95 128.26 2d8h s ARG 10 Ca 1.08 1.97 -0.15 0.00 -0.52 0.00 0.00 55.73 58.10 2d8h s ARG 10 Cb -0.47 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 32.97 2d8h s ARG 10 CO 0.33 -1.18 1.77 0.28 0.02 0.00 0.00 175.30 176.53 2d8h h VAL 11 N 1.11 1.16 -1.64 3.52 2.07 -1.99 -3.47 116.25 117.01 2d8h h VAL 11 Ca -0.51 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2d8h h VAL 11 Cb 1.30 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2d8h h VAL 11 CO 0.56 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.92 2d8h n GLY 12 N -1.04 2.79 3.80 2.17 0.00 -1.26 -5.15 105.19 106.49 2d8h n GLY 12 Ca 0.02 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 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 0.02 6.91 -0.31 1.61 0.01 -1.26 -5.06 114.94 116.86 2d8h s ASN 13 Ca 0.00 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.24 2d8h s ASN 13 Cb 0.00 -2.31 0.10 0.00 0.41 0.00 0.00 41.25 39.45 2d8h s ASN 13 CO 0.00 0.24 0.07 -0.22 -1.51 0.00 0.00 177.10 175.68 2d8h s LEU 14 N -0.78 2.98 0.07 0.60 1.98 -1.26 -4.98 118.68 117.29 2d8h s LEU 14 Ca 0.27 -1.73 -0.12 0.00 -2.89 0.00 0.00 54.13 49.66 2d8h s LEU 14 Cb -0.18 -1.11 -0.26 0.00 0.66 0.00 0.00 46.19 45.30 2d8h s LEU 14 CO 0.16 -0.39 1.13 0.78 -1.89 0.00 0.00 176.35 176.14 2d8h h ASN 15 N 7.94 0.79 -4.65 3.68 2.35 -2.01 -3.46 115.58 120.23 2d8h h ASN 15 Ca -0.11 -0.73 -0.13 0.00 -0.55 0.00 0.00 56.30 54.78 2d8h h ASN 15 Cb 1.02 -0.25 -0.22 0.00 0.05 0.00 0.00 38.32 38.93 2d8h h ASN 15 CO 0.48 1.54 -0.33 0.00 -1.65 0.00 0.00 177.43 177.47 2d8h s GLN 16 N -2.99 0.55 0.64 0.81 -2.07 -1.26 -5.17 119.66 110.16 2d8h s GLN 16 Ca -0.08 -0.04 -0.11 0.00 -1.82 0.00 0.00 55.36 53.31 2d8h s GLN 16 Cb 0.06 0.25 0.16 0.00 -1.09 0.00 0.00 33.01 32.39 2d8h s GLN 16 CO 0.92 -0.13 0.57 -0.35 -1.32 0.00 0.00 175.29 174.98 2d8h n PRO 17 N 1.78 -2.14 -4.56 9.60 -0.04 -1.26 -5.07 135.00 133.32 2d8h n PRO 17 Ca -0.19 -0.91 -0.28 0.00 -0.04 0.00 0.00 63.50 62.08 2d8h n PRO 17 Cb 0.56 -0.85 -0.14 0.00 -0.04 0.00 0.00 33.50 33.04 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 -2.03 2.07 -0.25 0.52 1.01 -0.52 -4.91 121.20 117.10 2d8h s ILE 18 Ca 0.37 -1.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.37 2d8h s ILE 18 Cb -0.04 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2d8h s ILE 18 CO 0.28 0.17 0.16 -1.61 0.00 0.00 0.00 174.94 173.94 2d8h s GLU 19 N -1.68 3.99 -0.01 2.79 2.02 -1.26 0.18 118.70 124.72 2d8h s GLU 19 Ca 0.11 -0.31 0.05 0.00 0.02 0.00 0.00 54.97 54.84 2d8h s GLU 19 Cb -0.10 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.58 2d8h s GLU 19 CO 0.04 -0.03 -0.15 0.14 0.02 0.00 0.00 175.26 175.28 2d8h s VAL 20 N 1.30 1.20 -0.26 2.63 -7.23 -1.06 -4.56 120.40 112.41 2d8h s VAL 20 Ca 0.07 -0.65 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 2d8h s VAL 20 Cb -0.14 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2d8h s VAL 20 CO 0.06 0.34 0.28 -0.89 -0.31 0.00 0.00 175.10 174.58 2d8h s THR 21 N -0.34 5.25 -0.17 5.32 2.01 -0.94 -1.06 115.64 125.71 2d8h s THR 21 Ca 0.06 0.38 -0.28 0.00 0.31 0.00 0.00 61.69 62.15 2d8h s THR 21 Cb -0.06 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2d8h s THR 21 CO -0.01 0.23 2.18 0.00 -0.69 0.00 0.00 174.62 176.33 2d8h n ALA 22 N 4.98 1.76 0.10 7.40 0.00 -0.92 -2.42 120.51 131.41 2d8h n ALA 22 Ca -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 2d8h n ALA 22 Cb 0.51 -2.88 0.27 0.00 0.00 0.00 0.00 19.45 17.36 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 14.28 0.25 -8.46 0.00 3.38 -0.23 1.05 115.31 125.58 2d8h h LEU 23 Ca -0.43 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.27 2d8h h LEU 23 Cb 1.24 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 2d8h h LEU 23 CO 0.96 0.56 -0.53 -0.31 0.09 0.00 0.00 178.44 179.21 2d8h s TYR 24 N -4.34 0.91 0.48 1.13 2.02 -1.17 -4.74 117.35 111.64 2d8h s TYR 24 Ca -0.05 -1.20 -0.20 0.00 -0.37 0.00 0.00 57.07 55.26 2d8h s TYR 24 Cb 0.14 -0.39 -0.09 0.00 -0.40 0.00 0.00 41.96 41.22 2d8h s TYR 24 CO 0.76 -0.66 1.00 -1.54 -1.57 0.00 0.00 175.55 173.54 2d8h s SER 25 N -3.10 6.53 0.04 2.29 1.04 -1.26 -3.22 113.70 116.03 2d8h s SER 25 Ca 0.31 1.80 -0.15 0.00 0.48 0.00 0.00 55.95 58.39 2d8h s SER 25 Cb 0.06 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.66 2d8h s SER 25 CO 0.08 -0.65 0.33 0.12 0.98 0.00 0.00 173.24 174.10 2d8h s PHE 26 N -2.16 -0.15 -0.19 5.02 5.36 -0.74 -4.87 117.98 120.25 2d8h s PHE 26 Ca 0.64 0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 56.60 2d8h s PHE 26 Cb -0.13 0.13 0.08 0.00 -0.34 0.00 0.00 43.02 42.76 2d8h s PHE 26 CO 0.20 -0.52 0.16 -1.21 -1.46 0.00 0.00 175.22 172.39 2d8h s GLU 27 N -2.55 0.13 -0.71 10.12 2.02 -1.26 -2.46 118.70 123.99 2d8h s GLU 27 Ca -0.05 0.04 -0.32 0.00 0.02 0.00 0.00 54.97 54.66 2d8h s GLU 27 Cb -0.01 -1.48 -0.16 0.00 0.10 0.00 0.00 34.13 32.58 2d8h s GLU 27 CO -0.03 -0.69 2.49 0.41 0.02 0.00 0.00 175.26 177.46 2d8h n GLY 28 N 5.30 -0.12 0.15 -1.39 0.00 -1.22 -4.76 105.19 103.15 2d8h n GLY 28 Ca -0.06 0.99 0.02 0.00 0.00 0.00 0.00 46.02 46.97 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 13.75 0.00 -6.12 1.61 1.08 -1.96 -3.45 115.11 120.02 2d8h h GLN 29 Ca -0.14 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.51 2d8h h GLN 29 Cb 1.31 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 2d8h h GLN 29 CO 1.24 0.52 -0.51 -0.65 -0.95 0.00 0.00 178.83 178.48 2d8h s GLN 30 N -3.21 3.20 -0.35 1.46 -0.21 -1.26 -5.05 119.66 114.24 2d8h s GLN 30 Ca 0.02 -0.74 -0.28 0.00 0.02 0.00 0.00 55.36 54.37 2d8h s GLN 30 Cb 0.09 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 2d8h s GLN 30 CO 0.73 0.49 1.70 -1.25 -2.12 0.00 0.00 175.29 174.84 2d8h s PRO 31 N -3.26 3.40 0.00 2.91 0.04 -1.26 -2.67 135.00 134.15 2d8h s PRO 31 Ca 0.33 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2d8h s PRO 31 Cb -0.10 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.28 2d8h s PRO 31 CO 0.26 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2d8h n GLY 32 N 5.33 1.40 3.40 0.56 0.00 -1.26 -5.12 105.19 109.50 2d8h n GLY 32 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2d8h n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8h s ASP 33 N -1.23 -0.59 0.03 1.61 1.11 -1.09 -3.77 116.67 112.74 2d8h s ASP 33 Ca 0.00 0.66 0.09 0.00 0.18 0.00 0.00 52.55 53.48 2d8h s ASP 33 Cb 0.00 -0.88 -0.03 0.00 1.07 0.00 0.00 42.92 43.08 2d8h s ASP 33 CO 0.00 -5.05 -0.26 -0.22 1.18 0.00 0.00 175.17 170.82 2d8h s LEU 34 N -7.58 2.14 -0.18 1.23 2.96 -1.01 -4.53 118.68 111.72 2d8h s LEU 34 Ca 0.70 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 2d8h s LEU 34 Cb -0.10 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 2d8h s LEU 34 CO 0.56 0.27 -0.01 0.20 -1.32 0.00 0.00 176.35 176.05 2d8h s ASN 35 N -1.10 4.90 0.34 3.68 0.01 -1.26 -3.38 114.94 118.13 2d8h s ASN 35 Ca 0.11 -0.14 0.06 0.00 -0.71 0.00 0.00 52.86 52.18 2d8h s ASN 35 Cb -0.10 -1.82 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 2d8h s ASN 35 CO 0.01 0.13 0.32 0.72 -1.51 0.00 0.00 177.10 176.77 2d8h s PHE 36 N 0.63 1.63 0.09 2.20 -0.71 -1.03 -4.98 117.98 115.81 2d8h s PHE 36 Ca -0.01 -1.60 0.03 0.00 -1.04 0.00 0.00 56.93 54.31 2d8h s PHE 36 Cb -0.14 -0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 41.05 2d8h s PHE 36 CO 0.02 -0.93 -0.09 -0.65 -1.34 0.00 0.00 175.22 172.22 2d8h s GLN 37 N -3.34 0.78 -0.57 1.99 1.11 -1.26 -1.80 119.66 116.59 2d8h s GLN 37 Ca 0.39 -1.10 -0.30 0.00 0.01 0.00 0.00 55.36 54.36 2d8h s GLN 37 Cb 0.02 -0.45 -0.12 0.00 -1.01 0.00 0.00 33.01 31.44 2d8h s GLN 37 CO 0.27 0.07 2.42 0.00 0.01 0.00 0.00 175.29 178.05 2d8h n ALA 38 N 0.67 0.80 0.00 6.09 0.00 -1.20 -0.33 120.51 126.54 2d8h n ALA 38 Ca -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2d8h n ALA 38 Cb 0.57 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 6.26 0.62 3.71 0.00 0.00 0.36 -4.92 105.19 111.22 2d8h n GLY 39 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 2d8h n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2d8h s ASP 40 N -0.85 6.49 0.00 1.61 1.11 0.55 -4.39 116.67 121.20 2d8h s ASP 40 Ca 0.00 2.70 -0.29 0.00 0.18 0.00 0.00 52.55 55.14 2d8h s ASP 40 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2d8h s ASP 40 CO 0.00 -0.92 0.92 -0.13 1.18 0.00 0.00 175.17 176.22 2d8h s ARG 41 N 1.83 4.55 -0.13 8.23 3.00 -1.26 -2.17 118.95 133.01 2d8h s ARG 41 Ca 0.75 1.32 -0.01 0.00 0.00 0.00 0.00 55.73 57.79 2d8h s ARG 41 Cb -0.45 -3.44 -0.02 0.00 0.00 0.00 0.00 34.95 31.03 2d8h s ARG 41 CO 0.33 0.01 -0.09 0.42 0.00 0.00 0.00 175.30 175.97 2d8h s ILE 42 N 0.81 3.42 -0.80 1.52 1.01 -0.23 -4.80 121.20 122.14 2d8h s ILE 42 Ca 0.48 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 2d8h s ILE 42 Cb -0.21 -2.46 0.06 0.00 0.01 0.00 0.00 42.46 39.86 2d8h s ILE 42 CO 0.26 0.52 1.22 -0.89 0.00 0.00 0.00 174.94 176.06 2d8h s THR 43 N 0.23 4.02 -0.25 2.92 2.01 0.42 -2.57 115.64 122.42 2d8h s THR 43 Ca -0.06 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.40 2d8h s THR 43 Cb -0.15 -4.88 -0.04 0.00 0.01 0.00 0.00 72.50 67.45 2d8h s THR 43 CO 0.04 -1.74 1.96 -0.69 -0.69 0.00 0.00 174.62 173.50 2d8h s VAL 44 N 4.83 3.28 -0.21 3.82 1.01 0.13 -0.02 120.40 133.24 2d8h s VAL 44 Ca 0.34 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2d8h s VAL 44 Cb -0.08 -3.36 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 2d8h s VAL 44 CO 0.06 -0.21 -0.01 2.30 0.00 0.00 0.00 175.10 177.24 2d8h n ILE 45 N 7.37 1.55 -3.60 2.22 -5.35 -0.56 -1.44 119.36 119.55 2d8h n ILE 45 Ca 0.25 -0.64 -0.20 0.00 -0.27 0.00 0.00 62.75 61.89 2d8h n ILE 45 Cb 0.46 -1.33 -0.15 0.00 -1.74 0.00 0.00 39.64 36.87 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 -6.46 1.40 0.23 7.28 0.15 -0.53 -4.93 113.70 110.84 2d8h s SER 46 Ca -0.27 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.31 2d8h s SER 46 Cb 0.08 0.14 -0.05 0.00 -1.71 0.00 0.00 66.02 64.48 2d8h s SER 46 CO 0.68 -0.30 -0.02 -1.59 1.20 0.00 0.00 173.24 173.21 2d8h s LYS 47 N 2.25 1.34 0.52 5.44 -2.85 -1.26 -0.25 119.74 124.93 2d8h s LYS 47 Ca 0.04 -1.67 0.06 0.00 -1.00 0.00 0.00 55.97 53.40 2d8h s LYS 47 Cb -0.14 -0.69 0.02 0.00 -2.06 0.00 0.00 37.83 34.96 2d8h s LYS 47 CO -0.08 -0.06 0.37 0.95 0.10 0.00 0.00 175.35 176.62 2d8h s THR 48 N -3.36 1.81 -1.38 3.79 -4.23 -1.26 -5.02 115.64 105.98 2d8h s THR 48 Ca 0.27 -1.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.21 2d8h s THR 48 Cb 0.05 -2.32 0.08 0.00 1.34 0.00 0.00 72.50 71.65 2d8h s THR 48 CO 0.08 0.00 2.49 0.47 -0.54 0.00 0.00 174.62 177.12 2d8h n ASP 49 N -1.68 8.10 -3.63 3.99 8.00 -1.26 -4.84 116.55 125.24 2d8h n ASP 49 Ca -0.01 -3.02 -0.08 0.00 0.71 0.00 0.00 54.79 52.38 2d8h n ASP 49 Cb 0.64 -1.41 -0.07 0.00 -0.02 0.00 0.00 41.12 40.27 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2d8h s SER 50 N 0.76 -0.37 -0.04 -2.24 0.15 -1.26 -5.08 113.70 105.62 2d8h s SER 50 Ca 0.57 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.82 2d8h s SER 50 Cb 0.18 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 65.09 2d8h s SER 50 CO -0.09 -0.17 0.27 0.45 1.20 0.00 0.00 173.24 174.90 2d8h h HIS 51 N 3.64 -0.15 -0.77 3.44 3.86 -1.97 -3.36 115.15 119.84 2d8h h HIS 51 Ca -0.25 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.09 2d8h h HIS 51 Cb 1.18 0.05 -0.14 0.00 1.06 0.00 0.00 27.41 29.56 2d8h h HIS 51 CO 0.30 -0.09 -0.31 0.35 0.86 0.00 0.00 177.93 179.03 2d8h h PHE 52 N -0.63 -0.84 -2.32 2.45 3.57 -1.98 -3.31 116.94 113.88 2d8h h PHE 52 Ca -0.02 0.08 -0.57 0.00 3.53 0.00 0.00 57.97 61.00 2d8h h PHE 52 Cb 0.13 0.48 0.21 0.00 2.79 0.00 0.00 35.95 39.56 2d8h h PHE 52 CO 0.02 -0.38 -1.29 -0.25 -2.23 0.00 0.00 178.31 174.18 2d8h n ASP 53 N -5.47 -4.15 -4.83 0.41 9.92 -1.26 -4.32 116.55 106.85 2d8h n ASP 53 Ca 0.08 0.41 -0.37 0.00 -0.53 0.00 0.00 54.79 54.38 2d8h n ASP 53 Cb 0.39 -0.90 -0.06 0.00 -0.64 0.00 0.00 41.12 39.90 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 -2.02 3.71 0.46 1.24 0.52 -1.26 -3.33 118.94 118.26 2d8h s TRP 54 Ca 0.51 1.07 0.06 0.00 0.02 0.00 0.00 56.10 57.77 2d8h s TRP 54 Cb -0.31 -2.36 -0.02 0.00 -1.15 0.00 0.00 33.47 29.63 2d8h s TRP 54 CO 0.72 0.56 0.24 -1.58 0.02 0.00 0.00 176.95 176.91 2d8h s TRP 55 N -1.23 2.25 -0.20 -1.98 0.51 0.38 -4.71 118.94 113.97 2d8h s TRP 55 Ca 0.30 -0.69 0.01 0.00 -2.12 0.00 0.00 56.10 53.60 2d8h s TRP 55 Cb -0.17 -1.93 0.04 0.00 -0.81 0.00 0.00 33.47 30.60 2d8h s TRP 55 CO 0.17 -0.03 -0.14 -2.00 -0.51 0.00 0.00 176.95 174.45 2d8h s GLU 56 N -4.03 2.40 0.38 4.98 2.12 0.65 -0.76 118.70 124.44 2d8h s GLU 56 Ca 0.36 -0.92 0.03 0.00 0.36 0.00 0.00 54.97 54.79 2d8h s GLU 56 Cb 0.01 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.86 2d8h s GLU 56 CO 0.20 -0.37 0.09 0.41 -0.54 0.00 0.00 175.26 175.05 2d8h n GLY 57 N 4.62 3.44 3.08 -1.50 0.00 -1.00 -1.45 105.19 112.38 2d8h n GLY 57 Ca -0.17 -2.16 -0.25 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 -3.41 1.79 -0.02 1.61 1.02 0.97 -2.82 119.74 118.89 2d8h s LYS 58 Ca 0.13 -0.52 -0.04 0.00 0.02 0.00 0.00 55.97 55.56 2d8h s LYS 58 Cb 0.01 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.82 2d8h s LYS 58 CO 0.09 0.13 0.10 -1.17 -0.92 0.00 0.00 175.35 173.58 2d8h s LEU 59 N 0.36 1.67 -1.60 3.17 2.96 -0.84 -0.44 118.68 123.97 2d8h s LEU 59 Ca -0.10 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 53.73 2d8h s LEU 59 Cb -0.14 0.42 0.07 0.00 0.50 0.00 0.00 46.19 47.04 2d8h s LEU 59 CO 0.03 -0.17 0.36 0.54 -1.32 0.00 0.00 176.35 175.79 2d8h n ARG 60 N 2.37 -1.91 -3.59 1.98 5.12 -1.26 0.24 116.66 119.61 2d8h n ARG 60 Ca -0.17 0.23 -0.23 0.00 -1.93 0.00 0.00 57.85 55.75 2d8h n ARG 60 Cb 0.58 -4.31 0.08 0.00 -1.16 0.00 0.00 32.46 27.65 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 -1.94 -0.50 3.23 -0.13 0.00 -1.26 -5.00 105.19 99.58 2d8h n GLY 61 Ca -0.17 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.14 1.20 -0.01 1.61 -0.21 0.14 -5.17 119.66 111.08 2d8h s GLN 62 Ca 0.46 -1.62 0.01 0.00 0.02 0.00 0.00 55.36 54.23 2d8h s GLN 62 Cb -0.21 0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.88 2d8h s GLN 62 CO 0.74 -0.32 -0.02 0.99 -2.12 0.00 0.00 175.29 174.56 2d8h s THR 63 N -3.99 0.16 -0.08 -0.19 2.01 -1.26 -1.98 115.64 110.31 2d8h s THR 63 Ca 0.35 -0.05 -0.32 0.00 0.31 0.00 0.00 61.69 61.98 2d8h s THR 63 Cb 0.07 -0.16 0.13 0.00 0.01 0.00 0.00 72.50 72.55 2d8h s THR 63 CO 0.10 0.06 1.39 -0.83 -0.69 0.00 0.00 174.62 174.66 2d8h s GLY 64 N 0.16 -0.41 0.22 4.40 0.00 -1.13 -4.70 107.32 105.86 2d8h s GLY 64 Ca -0.01 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.43 2d8h s GLY 64 CO -0.00 1.73 0.40 -0.26 0.00 0.00 0.00 173.10 174.96 2d8h s ILE 65 N -2.08 5.21 -0.07 0.90 -4.36 -1.25 -2.36 121.20 117.19 2d8h s ILE 65 Ca 0.19 -0.48 -0.30 0.00 -0.26 0.00 0.00 60.65 59.80 2d8h s ILE 65 Cb 0.05 -3.76 0.10 0.00 1.25 0.00 0.00 42.46 40.10 2d8h s ILE 65 CO -0.05 -0.23 0.82 0.72 0.24 0.00 0.00 174.94 176.44 2d8h s PHE 66 N -1.92 -0.50 -0.03 1.37 -0.71 0.06 -2.41 117.98 113.84 2d8h s PHE 66 Ca 0.38 0.74 -0.30 0.00 -1.04 0.00 0.00 56.93 56.71 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 0.30 -0.52 1.47 -1.25 -1.34 0.00 0.00 175.22 173.88 2d8h s PRO 67 N -1.66 4.24 0.41 1.99 0.04 -1.26 -0.47 135.00 138.30 2d8h s PRO 67 Ca -0.04 2.01 0.27 0.00 0.04 0.00 0.00 61.00 63.28 2d8h s PRO 67 Cb -0.00 -3.72 1.48 0.00 0.04 0.00 0.00 34.50 32.30 2d8h s PRO 67 CO 0.02 -0.68 1.83 0.00 0.04 0.00 0.00 177.00 178.21 2d8h h ALA 68 N 8.39 1.01 0.00 8.56 0.00 -1.64 0.21 119.26 135.80 2d8h h ALA 68 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2d8h h ALA 68 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d8h h ALA 68 CO 0.93 -0.01 0.00 0.09 0.00 0.00 0.00 179.25 180.26 2d8h n ASN 69 N -2.46 0.50 -0.37 0.00 3.02 -1.26 -2.06 115.26 112.63 2d8h n ASN 69 Ca -0.02 0.61 0.12 0.00 -0.03 0.00 0.00 54.58 55.26 2d8h n ASN 69 Cb 0.05 -0.72 0.20 0.00 -0.61 0.00 0.00 39.78 38.71 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 -2.04 0.00 -4.50 3.10 4.02 0.06 -4.93 117.16 112.87 2d8h n TYR 70 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.67 2d8h n TYR 70 Cb 0.25 -0.06 -0.08 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 -2.47 0.63 0.16 -0.72 -7.23 -0.87 0.51 120.40 110.41 2d8h s VAL 71 Ca 0.22 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.26 2d8h s VAL 71 Cb 0.19 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.75 2d8h s VAL 71 CO 0.54 0.00 0.37 0.28 -0.31 0.00 0.00 175.10 175.98 2d8h s THR 72 N -3.23 0.06 -0.39 5.32 -1.32 -1.02 -4.75 115.64 110.31 2d8h s THR 72 Ca 0.25 -1.06 -0.03 0.00 -1.21 0.00 0.00 61.69 59.65 2d8h s THR 72 Cb 0.03 -1.62 0.10 0.00 -1.51 0.00 0.00 72.50 69.50 2d8h s THR 72 CO 0.15 -0.27 0.17 -0.04 -2.21 0.00 0.00 174.62 172.41 2d8h s MET 73 N -3.90 2.07 -0.30 7.08 -1.94 -1.26 -2.22 119.30 118.82 2d8h s MET 73 Ca 0.11 -1.72 0.17 0.00 -1.71 0.00 0.00 55.69 52.54 2d8h s MET 73 Cb 0.02 -3.52 0.48 0.00 2.01 0.00 0.00 34.83 33.82 2d8h s MET 73 CO -0.04 -0.99 1.08 0.09 -0.01 0.00 0.00 175.02 175.15 2d8h n ASN 74 N 4.60 2.48 -4.85 3.03 4.13 -1.26 -5.08 115.26 118.31 2d8h n ASN 74 Ca -0.04 -2.70 -0.26 0.00 1.68 0.00 0.00 54.58 53.27 2d8h n ASN 74 Cb 0.42 -0.47 -0.03 0.00 -1.54 0.00 0.00 39.78 38.16 2d8h n ASN 74 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2d8h s SER 75 N -3.56 4.60 0.26 6.41 1.04 -1.26 -5.08 113.70 116.11 2d8h s SER 75 Ca 0.34 -1.16 0.08 0.00 0.48 0.00 0.00 55.95 55.68 2d8h s SER 75 Cb 0.38 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2d8h s SER 75 CO -0.02 -0.87 -0.10 -0.83 0.98 0.00 0.00 173.24 172.40 2d8h s GLY 76 N -4.13 1.74 -1.00 7.32 0.00 -1.26 -5.06 107.32 104.93 2d8h s GLY 76 Ca 0.35 -1.84 -0.24 0.00 0.00 0.00 0.00 44.72 42.99 2d8h s GLY 76 CO 0.21 -1.84 1.94 2.56 0.00 0.00 0.00 173.10 175.98 2d8h s PRO 77 N -3.68 2.53 0.43 2.90 0.04 -1.26 -4.93 135.00 131.03 2d8h s PRO 77 Ca 0.28 -0.58 0.07 0.00 0.04 0.00 0.00 61.00 60.80 2d8h s PRO 77 Cb 0.02 -5.12 -0.05 0.00 0.04 0.00 0.00 34.50 29.38 2d8h s PRO 77 CO 0.11 -3.58 0.14 -1.54 0.04 0.00 0.00 177.00 172.16 2d8h s SER 78 N 7.53 4.28 -0.68 6.66 1.04 -1.26 -5.08 113.70 126.19 2d8h s SER 78 Ca 0.70 -1.21 -0.23 0.00 0.48 0.00 0.00 55.95 55.69 2d8h s SER 78 Cb -0.05 -0.32 0.07 0.00 0.10 0.00 0.00 66.02 65.82 2d8h s SER 78 CO 0.04 -0.58 1.00 -0.44 0.98 0.00 0.00 173.24 174.24 2d8h s SER 79 N -3.88 6.19 0.00 7.02 0.01 -1.26 -5.24 113.70 116.54 2d8h s SER 79 Ca 0.36 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2d8h s SER 79 Cb 0.05 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2d8h s SER 79 CO 0.20 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.99