#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3n s VAL 3 N 0.00 5.36 -0.18 5.09 1.01 -1.26 -0.28 120.40 130.14 3d3n s VAL 3 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3d3n s VAL 3 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3d3n s VAL 3 CO 0.00 0.37 -0.13 -0.70 0.00 0.00 0.00 175.10 174.63 3d3n s GLU 4 N 0.88 2.30 -0.09 2.72 2.12 0.38 -4.98 118.70 122.03 3d3n s GLU 4 Ca 0.08 -0.77 -0.17 0.00 0.36 0.00 0.00 54.97 54.47 3d3n s GLU 4 Cb -0.13 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 3d3n s GLU 4 CO 0.03 -0.33 0.45 -0.65 -0.54 0.00 0.00 175.26 174.22 3d3n s GLN 5 N 1.39 4.25 0.03 4.30 -1.52 -1.26 -1.20 119.66 125.65 3d3n s GLN 5 Ca 0.01 0.42 -0.07 0.00 -1.95 0.00 0.00 55.36 53.77 3d3n s GLN 5 Cb -0.15 -3.39 -0.00 0.00 -0.22 0.00 0.00 33.01 29.25 3d3n s GLN 5 CO -0.10 0.28 0.14 1.03 -0.25 0.00 0.00 175.29 176.39 3d3n s ARG 6 N 0.23 0.60 -0.27 2.91 1.81 -0.85 -5.03 118.95 118.35 3d3n s ARG 6 Ca 0.25 -0.63 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 3d3n s ARG 6 Cb -0.15 0.24 0.07 0.00 -0.45 0.00 0.00 34.95 34.66 3d3n s ARG 6 CO 0.10 -0.16 -0.01 0.99 -0.68 0.00 0.00 175.30 175.55 3d3n s THR 7 N -2.32 1.63 0.25 0.02 2.01 -1.26 -1.92 115.64 114.04 3d3n s THR 7 Ca -0.07 -1.51 0.03 0.00 0.31 0.00 0.00 61.69 60.45 3d3n s THR 7 Cb -0.03 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3d3n s THR 7 CO -0.03 -0.29 0.39 -0.76 -0.69 0.00 0.00 174.62 173.24 3d3n s LEU 8 N 1.31 4.26 -0.04 4.42 1.43 -0.42 -4.91 118.68 124.73 3d3n s LEU 8 Ca -0.00 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3d3n s LEU 8 Cb -0.19 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.06 3d3n s LEU 8 CO -0.09 -0.10 -0.09 0.21 0.23 0.00 0.00 176.35 176.51 3d3n s ASN 9 N -3.84 1.25 -0.15 2.29 2.47 -1.26 -0.56 114.94 115.14 3d3n s ASN 9 Ca 0.36 -0.19 -0.14 0.00 0.42 0.00 0.00 52.86 53.30 3d3n s ASN 9 Cb -0.10 -0.44 0.04 0.00 -1.45 0.00 0.00 41.25 39.30 3d3n s ASN 9 CO 0.30 0.03 0.40 0.28 -3.72 0.00 0.00 177.10 174.40 3d3n s THR 10 N 0.44 -0.00 -1.52 -5.21 -1.32 -1.26 -4.90 115.64 101.88 3d3n s THR 10 Ca -0.07 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.25 3d3n s THR 10 Cb -0.11 -0.56 0.14 0.00 -1.51 0.00 0.00 72.50 70.45 3d3n s THR 10 CO 0.01 0.00 0.65 0.00 -2.21 0.00 0.00 174.62 173.07 3d3n n ALA 11 N 2.87 -1.18 -1.64 11.08 0.00 -1.26 -0.30 120.51 130.07 3d3n n ALA 11 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 3d3n n ALA 11 Cb 0.57 -3.08 -0.08 0.00 0.00 0.00 0.00 19.45 16.86 3d3n n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3n n ALA 12 N -4.01 -0.33 -3.82 0.00 0.00 -1.26 -4.94 120.51 106.16 3d3n n ALA 12 Ca 0.05 0.31 -0.28 0.00 0.00 0.00 0.00 53.44 53.53 3d3n n ALA 12 Cb 0.50 -2.02 -0.12 0.00 0.00 0.00 0.00 19.45 17.81 3d3n n ALA 12 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3d3n s HIS 13 N -2.77 3.08 0.36 0.00 3.76 0.59 -5.10 115.29 115.20 3d3n s HIS 13 Ca 0.00 -3.13 -0.28 0.00 -0.15 0.00 0.00 55.06 51.50 3d3n s HIS 13 Cb 0.00 -2.40 -0.12 0.00 1.11 0.00 0.00 32.58 31.18 3d3n s HIS 13 CO 0.00 -0.62 1.41 -2.30 -0.85 0.00 0.00 174.74 172.39 3d3n n PRO 14 N 2.27 2.47 -4.17 8.40 -0.02 -1.26 -4.03 135.00 138.66 3d3n n PRO 14 Ca 0.20 0.87 -0.11 0.00 -2.02 0.00 0.00 63.50 62.44 3d3n n PRO 14 Cb 0.37 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 3d3n n PRO 14 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3d3n s PHE 15 N -1.10 0.90 -0.09 6.00 -0.71 0.28 -4.99 117.98 118.27 3d3n s PHE 15 Ca 0.54 -1.02 -0.02 0.00 -1.04 0.00 0.00 56.93 55.39 3d3n s PHE 15 Cb -0.51 -0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 40.73 3d3n s PHE 15 CO 0.63 -0.27 0.00 -0.65 -1.34 0.00 0.00 175.22 173.60 3d3n s GLN 16 N -3.91 3.07 0.01 1.99 -1.52 -1.25 -1.30 119.66 116.75 3d3n s GLN 16 Ca 0.16 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.17 3d3n s GLN 16 Cb 0.06 -2.82 -0.01 0.00 -0.22 0.00 0.00 33.01 30.02 3d3n s GLN 16 CO -0.02 0.66 -0.02 0.96 -0.25 0.00 0.00 175.29 176.62 3d3n s ILE 17 N -0.76 0.08 -0.16 1.08 -5.25 -0.81 -1.42 121.20 113.97 3d3n s ILE 17 Ca 0.12 -0.38 0.02 0.00 -0.99 0.00 0.00 60.65 59.42 3d3n s ILE 17 Cb -0.12 -0.14 0.02 0.00 2.95 0.00 0.00 42.46 45.17 3d3n s ILE 17 CO 0.02 -0.19 -0.20 -0.89 -1.79 0.00 0.00 174.94 171.89 3d3n s THR 18 N -0.58 2.02 -0.25 8.37 2.01 -0.98 -2.00 115.64 124.23 3d3n s THR 18 Ca -0.06 -0.93 -0.08 0.00 0.31 0.00 0.00 61.69 60.92 3d3n s THR 18 Cb -0.04 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3d3n s THR 18 CO -0.00 0.54 0.10 0.00 -0.69 0.00 0.00 174.62 174.57 3d3n s ALA 19 N 1.13 3.28 -0.51 7.40 0.00 -0.34 -1.03 121.76 131.69 3d3n s ALA 19 Ca 0.01 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 3d3n s ALA 19 Cb -0.14 -2.18 0.12 0.00 0.00 0.00 0.00 23.12 20.92 3d3n s ALA 19 CO -0.09 -0.46 0.43 0.71 0.00 0.00 0.00 175.76 176.35 3d3n s TYR 20 N 1.58 3.32 -0.24 0.00 2.02 0.11 -0.47 117.35 123.67 3d3n s TYR 20 Ca 0.06 -1.49 -0.23 0.00 -0.37 0.00 0.00 57.07 55.04 3d3n s TYR 20 Cb -0.15 -3.62 -0.01 0.00 -0.40 0.00 0.00 41.96 37.77 3d3n s TYR 20 CO 0.06 -0.99 0.74 -1.58 -1.57 0.00 0.00 175.55 172.21 3d3n s TRP 21 N 1.51 3.32 0.51 2.71 0.23 0.62 -2.21 118.94 125.63 3d3n s TRP 21 Ca 0.04 1.02 -0.22 0.00 -2.03 0.00 0.00 56.10 54.91 3d3n s TRP 21 Cb -0.28 -2.95 -0.06 0.00 0.03 0.00 0.00 33.47 30.21 3d3n s TRP 21 CO 0.02 -0.34 1.22 -1.17 0.96 0.00 0.00 176.95 177.63 3d3n s LEU 22 N 2.58 3.89 -0.11 2.99 2.96 -1.26 -0.90 118.68 128.83 3d3n s LEU 22 Ca 0.32 2.42 -0.05 0.00 -0.22 0.00 0.00 54.13 56.60 3d3n s LEU 22 Cb -0.15 -4.34 -0.04 0.00 0.50 0.00 0.00 46.19 42.16 3d3n s LEU 22 CO 0.08 -1.21 0.07 -1.81 -1.32 0.00 0.00 176.35 172.16 3d3n s ASP 23 N -1.34 5.82 0.47 3.68 1.01 -1.26 -4.83 116.67 120.22 3d3n s ASP 23 Ca 0.69 0.29 -0.24 0.00 0.71 0.00 0.00 52.55 54.00 3d3n s ASP 23 Cb -0.31 -1.81 -0.08 0.00 1.01 0.00 0.00 42.92 41.73 3d3n s ASP 23 CO 0.37 0.37 1.25 0.00 0.21 0.00 0.00 175.17 177.37 3d3n n GLN 24 N 2.23 1.76 -0.07 8.23 1.13 -1.26 -4.93 117.38 124.47 3d3n n GLN 24 Ca -0.19 0.63 -0.12 0.00 -1.94 0.00 0.00 57.00 55.38 3d3n n GLN 24 Cb 0.54 -2.39 -0.06 0.00 0.11 0.00 0.00 30.24 28.44 3d3n n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3d3n h ILE 25 N 1.77 1.30 0.04 5.09 2.04 -1.99 -3.18 117.51 122.59 3d3n h ILE 25 Ca -0.48 -1.08 -0.26 0.00 1.00 0.00 0.00 64.86 64.04 3d3n h ILE 25 Cb 1.30 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 3d3n h ILE 25 CO 0.58 0.33 -1.30 0.28 0.00 0.00 0.00 178.15 178.04 3d3n h SER 26 N 0.09 0.15 -5.09 1.72 0.02 -2.05 -3.55 113.55 104.83 3d3n h SER 26 Ca 0.05 -0.19 -0.26 0.00 -0.84 0.00 0.00 61.79 60.55 3d3n h SER 26 Cb 0.53 -0.05 0.15 0.00 0.14 0.00 0.00 62.40 63.17 3d3n h SER 26 CO 0.02 1.15 -0.67 -0.67 -1.14 0.00 0.00 176.83 175.52 3d3n n ASP 27 N -3.34 -3.11 -3.64 3.07 4.64 -1.21 -5.27 116.55 107.69 3d3n n ASP 27 Ca -0.08 -0.55 -0.07 0.00 -1.38 0.00 0.00 54.79 52.71 3d3n n ASP 27 Cb 1.00 -4.45 -0.07 0.00 -1.04 0.00 0.00 41.12 36.56 3d3n n ASP 27 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3d3n s ALA 31 N -3.31 -2.06 0.19 -1.67 0.00 -1.26 -5.09 121.76 108.56 3d3n s ALA 31 Ca 0.11 1.95 0.04 0.00 0.00 0.00 0.00 51.96 54.06 3d3n s ALA 31 Cb -0.01 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 3d3n s ALA 31 CO 0.62 -0.26 -0.06 0.54 0.00 0.00 0.00 175.76 176.61 3d3n s VAL 32 N 0.50 1.16 0.06 0.00 0.11 -1.26 -5.15 120.40 115.83 3d3n s VAL 32 Ca 0.00 -2.06 -0.16 0.00 -2.93 0.00 0.00 61.98 56.83 3d3n s VAL 32 Cb -0.05 -2.10 -0.06 0.00 -1.53 0.00 0.00 36.38 32.64 3d3n s VAL 32 CO -0.09 -0.54 0.51 -1.81 -3.33 0.00 0.00 175.10 169.84 3d3n s ASP 33 N -3.25 6.92 0.16 3.54 1.01 -1.26 -4.87 116.67 118.92 3d3n s ASP 33 Ca 0.23 1.11 0.10 0.00 0.71 0.00 0.00 52.55 54.69 3d3n s ASP 33 Cb 0.04 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 3d3n s ASP 33 CO 0.05 0.25 -0.17 -0.31 0.21 0.00 0.00 175.17 175.20 3d3n s TYR 34 N -1.18 2.49 0.84 4.23 2.02 -1.09 -4.69 117.35 119.97 3d3n s TYR 34 Ca 0.29 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 3d3n s TYR 34 Cb -0.17 -1.26 0.10 0.00 -0.40 0.00 0.00 41.96 40.22 3d3n s TYR 34 CO 0.17 0.46 1.09 -2.14 -1.57 0.00 0.00 175.55 173.57 3d3n s PRO 35 N -2.54 1.71 0.00 -1.71 0.02 -1.26 -1.11 135.00 130.11 3d3n s PRO 35 Ca 0.21 0.91 0.00 0.00 0.02 0.00 0.00 61.00 62.14 3d3n s PRO 35 Cb -0.09 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3d3n s PRO 35 CO 0.12 -1.95 0.00 1.51 -0.33 0.00 0.00 177.00 176.34 3d3n n ILE 36 N -3.70 0.00 -3.69 2.83 3.06 -1.07 -0.00 119.36 116.79 3d3n n ILE 36 Ca 0.08 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.22 3d3n n ILE 36 Cb 0.55 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.63 3d3n n ILE 36 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 3d3n s ILE 38 N -0.66 -0.01 -0.22 9.51 1.01 0.84 -0.43 121.20 131.23 3d3n s ILE 38 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 3d3n s ILE 38 Cb 0.00 -0.73 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 3d3n s ILE 38 CO 0.00 0.02 -0.05 -0.63 0.00 0.00 0.00 174.94 174.27 3d3n s ILE 39 N 0.99 3.26 -0.43 2.92 1.01 0.18 -0.07 121.20 129.06 3d3n s ILE 39 Ca -0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 3d3n s ILE 39 Cb -0.06 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.98 3d3n s ILE 39 CO -0.09 0.42 0.32 0.00 0.00 0.00 0.00 174.94 175.59 3d3n s PRO 41 N 1.59 -0.26 0.00 0.00 0.02 -1.26 -1.92 135.00 133.16 3d3n s PRO 41 Ca 0.04 1.17 0.00 0.00 0.02 0.00 0.00 61.00 62.22 3d3n s PRO 41 Cb -0.22 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.69 3d3n s PRO 41 CO 0.06 -3.38 0.00 0.41 -0.33 0.00 0.00 177.00 173.76 3d3n n GLY 42 N 0.71 0.30 0.00 0.52 0.00 -1.17 -2.03 105.19 103.52 3d3n n GLY 42 Ca 0.07 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3d3n n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3n n GLY 43 N 5.00 1.78 3.38 -0.02 0.00 -1.25 -1.38 105.19 112.70 3d3n n GLY 43 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3d3n n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3n n GLY 44 N 0.00 -0.46 2.67 -0.02 0.00 -1.26 0.47 105.19 106.60 3d3n n GLY 44 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3d3n n GLY 44 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d3n n PHE 45 N -3.22 -0.03 0.02 1.61 3.72 -1.26 -4.76 117.46 113.54 3d3n n PHE 45 Ca 0.05 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.49 3d3n n PHE 45 Cb 0.48 -2.92 -0.07 0.00 -0.94 0.00 0.00 39.48 36.03 3d3n n PHE 45 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3d3n n THR 46 N -2.19 0.00 -3.58 4.37 -2.24 0.18 -2.11 114.28 108.70 3d3n n THR 46 Ca -0.14 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 3d3n n THR 46 Cb 0.60 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 3d3n n THR 46 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3d3n s TYR 47 N -2.62 -0.36 -0.20 4.78 1.13 -0.99 -4.82 117.35 114.28 3d3n s TYR 47 Ca -0.03 0.10 -0.14 0.00 -1.41 0.00 0.00 57.07 55.59 3d3n s TYR 47 Cb 0.06 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.48 3d3n s TYR 47 CO 0.39 -0.85 0.30 -1.01 -2.51 0.00 0.00 175.55 171.88 3d3n s HIS 48 N -3.56 3.38 0.47 -3.49 3.76 -1.26 -3.90 115.29 110.70 3d3n s HIS 48 Ca 0.06 0.51 -0.20 0.00 -0.15 0.00 0.00 55.06 55.28 3d3n s HIS 48 Cb -0.02 -2.40 -0.09 0.00 1.11 0.00 0.00 32.58 31.17 3d3n s HIS 48 CO -0.06 0.09 0.99 0.45 -0.85 0.00 0.00 174.74 175.36 3d3n s SER 49 N 0.87 6.64 0.00 1.40 0.15 -0.48 -4.96 113.70 117.32 3d3n s SER 49 Ca 0.15 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.54 3d3n s SER 49 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 3d3n s SER 49 CO 0.06 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.53 3d3n n GLY 50 N -0.73 0.20 0.27 9.45 0.00 -1.26 -4.56 105.19 108.56 3d3n n GLY 50 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3d3n n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3d3n h ARG 51 N 0.00 0.80 0.13 1.61 2.43 -2.01 -1.92 114.38 115.42 3d3n h ARG 51 Ca 0.00 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.78 3d3n h ARG 51 Cb 0.00 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3d3n h ARG 51 CO 0.00 0.53 -1.84 0.93 -1.51 0.00 0.00 179.97 178.07 3d3n h GLU 52 N 0.82 0.27 -1.00 0.20 3.07 -2.02 -3.39 114.58 112.53 3d3n h GLU 52 Ca 0.29 -0.47 0.13 0.00 -0.50 0.00 0.00 59.36 58.81 3d3n h GLU 52 Cb 0.08 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 28.08 3d3n h GLU 52 CO -0.13 1.22 0.62 0.93 -1.40 0.00 0.00 179.01 180.25 3d3n h GLU 53 N -0.03 0.92 0.60 2.33 3.07 -1.82 -2.81 114.58 116.84 3d3n h GLU 53 Ca -0.39 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 3d3n h GLU 53 Cb 1.97 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 29.67 3d3n h GLU 53 CO 0.08 0.61 -0.39 0.00 -1.40 0.00 0.00 179.01 177.91 3d3n h ALA 54 N 1.55 -0.98 -0.45 3.43 0.00 -1.54 -0.35 119.26 120.92 3d3n h ALA 54 Ca 0.51 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.24 3d3n h ALA 54 Cb 0.55 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3d3n h ALA 54 CO -0.28 -1.07 0.30 -1.35 0.00 0.00 0.00 179.25 176.85 3d3n h PRO 55 N -0.95 0.55 -0.13 0.00 0.11 -1.74 -2.65 132.00 127.19 3d3n h PRO 55 Ca -0.07 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 3d3n h PRO 55 Cb 0.78 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3d3n h PRO 55 CO 0.06 0.37 -0.12 0.82 -0.21 0.00 0.00 178.00 178.92 3d3n h ILE 56 N 0.57 1.34 -0.92 4.15 2.04 -1.27 -1.46 117.51 121.96 3d3n h ILE 56 Ca 0.17 -1.25 0.06 0.00 1.00 0.00 0.00 64.86 64.84 3d3n h ILE 56 Cb -0.01 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3d3n h ILE 56 CO -0.04 0.36 0.59 0.00 0.00 0.00 0.00 178.15 179.06 3d3n h ALA 57 N 0.61 1.27 0.26 1.87 0.00 -0.92 -2.60 119.26 119.75 3d3n h ALA 57 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3d3n h ALA 57 Cb 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3d3n h ALA 57 CO 0.03 0.36 -0.12 1.15 0.00 0.00 0.00 179.25 180.67 3d3n h THR 58 N 1.07 0.80 0.00 0.00 2.02 -1.40 -3.43 112.91 111.97 3d3n h THR 58 Ca 0.40 -0.54 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 3d3n h THR 58 Cb 0.15 1.10 0.04 0.00 -1.74 0.00 0.00 68.15 67.70 3d3n h THR 58 CO -0.17 0.11 0.72 -1.14 0.37 0.00 0.00 175.52 175.41 3d3n n ARG 59 N -5.12 0.00 0.00 6.66 3.00 -0.56 -4.71 116.66 115.94 3d3n n ARG 59 Ca -0.09 -0.36 0.00 0.00 -0.00 0.00 0.00 57.85 57.39 3d3n n ARG 59 Cb 0.24 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.11 3d3n n ARG 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d3n n ALA 62 N 5.04 0.00 1.10 5.13 0.00 -1.26 -4.88 120.51 125.64 3d3n n ALA 62 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 3d3n n ALA 62 Cb 0.20 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.28 3d3n n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3n n ALA 63 N -0.13 2.31 0.00 0.00 0.00 -1.26 -5.23 120.51 116.20 3d3n n ALA 63 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3d3n n ALA 63 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3d3n n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3n n GLY 64 N 1.21 0.70 3.78 0.00 0.00 -1.26 -5.01 105.19 104.61 3d3n n GLY 64 Ca 0.09 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 3d3n n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d3n s HIS 66 N 0.00 2.99 0.02 1.61 3.76 1.00 -4.24 115.29 120.43 3d3n s HIS 66 Ca 0.00 -0.16 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 3d3n s HIS 66 Cb 0.00 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 3d3n s HIS 66 CO 0.00 0.51 -0.04 0.95 -0.85 0.00 0.00 174.74 175.31 3d3n s THR 67 N -2.20 0.25 -0.06 1.30 -4.23 -0.94 -4.25 115.64 105.52 3d3n s THR 67 Ca 0.33 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 3d3n s THR 67 Cb -0.07 -0.36 0.04 0.00 1.34 0.00 0.00 72.50 73.45 3d3n s THR 67 CO 0.24 -0.41 0.12 -0.69 -0.54 0.00 0.00 174.62 173.34 3d3n s VAL 68 N -1.29 -0.11 -0.25 2.29 1.01 -1.26 0.04 120.40 120.83 3d3n s VAL 68 Ca -0.12 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 3d3n s VAL 68 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 3d3n s VAL 68 CO -0.00 0.10 0.32 -0.69 0.00 0.00 0.00 175.10 174.83 3d3n s VAL 69 N 1.50 5.22 -0.47 2.92 1.01 -0.20 0.47 120.40 130.86 3d3n s VAL 69 Ca -0.05 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 3d3n s VAL 69 Cb -0.12 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.70 3d3n s VAL 69 CO -0.05 0.21 0.36 -0.22 0.00 0.00 0.00 175.10 175.41 3d3n s LEU 70 N 1.75 5.61 -1.23 3.92 2.96 -0.15 -2.32 118.68 129.22 3d3n s LEU 70 Ca 0.14 -1.59 -0.20 0.00 -0.22 0.00 0.00 54.13 52.26 3d3n s LEU 70 Cb -0.15 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.48 3d3n s LEU 70 CO 0.09 -0.67 1.73 0.20 -1.32 0.00 0.00 176.35 176.38 3d3n s ASN 71 N 2.67 6.46 1.21 3.68 -0.87 -0.50 -4.43 114.94 123.16 3d3n s ASN 71 Ca 0.04 -2.12 -0.14 0.00 -1.57 0.00 0.00 52.86 49.07 3d3n s ASN 71 Cb -0.25 -2.58 0.30 0.00 -0.02 0.00 0.00 41.25 38.70 3d3n s ASN 71 CO 0.03 -1.56 1.01 -0.72 -2.57 0.00 0.00 177.10 173.29 3d3n s TYR 72 N 5.56 1.12 0.28 2.20 -0.85 -1.26 -3.97 117.35 120.43 3d3n s TYR 72 Ca 0.55 1.08 -0.30 0.00 -0.52 0.00 0.00 57.07 57.88 3d3n s TYR 72 Cb 0.02 -3.06 -0.12 0.00 0.38 0.00 0.00 41.96 39.18 3d3n s TYR 72 CO 0.06 -4.08 1.57 0.94 -1.52 0.00 0.00 175.55 172.52 3d3n n GLN 73 N -5.06 2.58 -3.90 -3.49 -0.06 -1.26 -5.01 117.38 101.19 3d3n n GLN 73 Ca 0.03 0.92 -0.24 0.00 -2.00 0.00 0.00 57.00 55.72 3d3n n GLN 73 Cb 0.55 -2.69 -0.05 0.00 -4.06 0.00 0.00 30.24 24.00 3d3n n GLN 73 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3d3n s LEU 74 N -0.24 3.13 0.11 1.69 1.43 -1.26 -4.68 118.68 118.86 3d3n s LEU 74 Ca 0.66 -1.00 0.27 0.00 -1.03 0.00 0.00 54.13 53.03 3d3n s LEU 74 Cb -0.53 -1.60 0.93 0.00 0.03 0.00 0.00 46.19 45.03 3d3n s LEU 74 CO 0.47 -0.69 1.79 2.30 0.23 0.00 0.00 176.35 180.45 3d3n n ILE 75 N -1.44 0.31 -1.46 -0.59 -5.35 -0.90 -4.50 119.36 105.44 3d3n n ILE 75 Ca 0.00 -0.16 -0.44 0.00 -0.27 0.00 0.00 62.75 61.88 3d3n n ILE 75 Cb 0.64 -0.48 -0.01 0.00 -1.74 0.00 0.00 39.64 38.05 3d3n n ILE 75 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3d3n n VAL 76 N -1.91 1.79 -2.01 7.28 0.24 -1.26 -0.55 118.33 121.90 3d3n n VAL 76 Ca 0.06 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 3d3n n VAL 76 Cb 0.39 -0.47 -0.01 0.00 -1.47 0.00 0.00 33.84 32.28 3d3n n VAL 76 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d3n n GLY 77 N 1.74 0.18 3.50 7.63 0.00 -1.26 -3.61 105.19 113.38 3d3n n GLY 77 Ca 0.13 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 3d3n n GLY 77 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d3n n ASP 78 N 0.33 -4.42 -4.54 1.61 2.03 -0.83 -5.02 116.55 105.71 3d3n n ASP 78 Ca -0.10 -0.81 -0.25 0.00 0.52 0.00 0.00 54.79 54.14 3d3n n ASP 78 Cb 0.53 -4.43 -0.11 0.00 -0.72 0.00 0.00 41.12 36.40 3d3n n ASP 78 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3d3n s GLN 79 N -5.32 1.81 0.04 -0.67 -0.21 0.28 -5.11 119.66 110.49 3d3n s GLN 79 Ca 0.30 -2.01 0.04 0.00 0.02 0.00 0.00 55.36 53.71 3d3n s GLN 79 Cb -0.07 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.55 3d3n s GLN 79 CO 0.79 -0.07 -0.03 -1.12 -2.12 0.00 0.00 175.29 172.74 3d3n s SER 80 N -3.61 4.89 0.01 5.90 0.01 -1.26 -4.25 113.70 115.40 3d3n s SER 80 Ca 0.35 -0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.22 3d3n s SER 80 Cb 0.09 -1.18 -0.18 0.00 0.21 0.00 0.00 66.02 64.96 3d3n s SER 80 CO 0.17 0.24 1.38 0.58 0.41 0.00 0.00 173.24 176.01 3d3n h VAL 81 N 3.34 1.14 -2.37 3.43 2.07 -0.66 -3.45 116.25 119.76 3d3n h VAL 81 Ca -0.48 -0.75 -0.47 0.00 0.82 0.00 0.00 66.70 65.82 3d3n h VAL 81 Cb 1.17 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3d3n h VAL 81 CO 0.57 0.19 -0.37 -0.31 0.02 0.00 0.00 177.57 177.67 3d3n s TYR 82 N -4.81 3.46 -2.29 1.57 2.02 -1.16 -1.59 117.35 114.54 3d3n s TYR 82 Ca -0.15 0.08 0.29 0.00 -0.37 0.00 0.00 57.07 56.93 3d3n s TYR 82 Cb 0.03 -1.66 1.37 0.00 -0.40 0.00 0.00 41.96 41.30 3d3n s TYR 82 CO 0.64 0.36 1.92 -0.35 -1.57 0.00 0.00 175.55 176.56 3d3n n PRO 83 N -1.48 1.40 -0.27 -1.71 -0.04 -1.26 -4.88 135.00 126.77 3d3n n PRO 83 Ca -0.08 -0.58 0.05 0.00 -0.04 0.00 0.00 63.50 62.85 3d3n n PRO 83 Cb 0.57 -1.48 0.15 0.00 -0.04 0.00 0.00 33.50 32.70 3d3n n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3d3n h TRP 84 N 1.41 -0.12 -0.70 0.54 -0.00 -1.85 -1.95 115.95 113.27 3d3n h TRP 84 Ca 0.00 0.06 0.11 0.00 -0.00 0.00 0.00 58.89 59.06 3d3n h TRP 84 Cb 0.30 0.18 -0.08 0.00 -0.00 0.00 0.00 29.16 29.56 3d3n h TRP 84 CO 0.00 -0.27 0.32 0.00 -0.00 0.00 0.00 178.44 178.48 3d3n h ALA 85 N 1.74 0.97 -0.45 1.49 0.00 -1.64 0.92 119.26 122.28 3d3n h ALA 85 Ca 0.42 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 3d3n h ALA 85 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3d3n h ALA 85 CO -0.71 -0.12 0.18 -0.07 0.00 0.00 0.00 179.25 178.53 3d3n h LEU 86 N 0.52 0.63 -1.07 0.00 3.38 -1.65 -0.98 115.31 116.14 3d3n h LEU 86 Ca 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3d3n h LEU 86 Cb 0.44 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3d3n h LEU 86 CO -0.31 0.62 0.42 1.56 0.09 0.00 0.00 178.44 180.82 3d3n h GLN 87 N 0.59 1.07 -0.32 1.13 4.20 -1.22 0.32 115.11 120.87 3d3n h GLN 87 Ca 0.15 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3d3n h GLN 87 Cb 0.19 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3d3n h GLN 87 CO -0.01 0.78 -0.22 1.96 -0.67 0.00 0.00 178.83 180.67 3d3n h GLN 88 N 1.08 0.62 0.37 1.46 4.20 -0.42 -0.96 115.11 121.47 3d3n h GLN 88 Ca 0.27 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3d3n h GLN 88 Cb 0.02 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3d3n h GLN 88 CO -0.04 0.80 -0.18 1.25 -0.67 0.00 0.00 178.83 179.98 3d3n h LEU 89 N 0.55 -0.42 -1.28 1.46 6.46 -0.37 -1.11 115.31 120.60 3d3n h LEU 89 Ca 0.08 -0.14 0.17 0.00 -0.12 0.00 0.00 57.88 57.87 3d3n h LEU 89 Cb 0.68 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.64 3d3n h LEU 89 CO 0.05 -0.05 0.59 1.23 -0.62 0.00 0.00 178.44 179.65 3d3n h GLY 90 N -0.85 1.25 1.53 3.75 0.00 -0.91 0.14 103.07 107.98 3d3n h GLY 90 Ca -0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3d3n h GLY 90 CO 0.08 0.03 -0.33 0.00 0.00 0.00 0.00 176.54 176.32 3d3n h ALA 91 N 1.61 0.95 -0.54 3.60 0.00 -1.00 -1.67 119.26 122.21 3d3n h ALA 91 Ca 0.49 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3d3n h ALA 91 Cb 0.89 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3d3n h ALA 91 CO -0.24 0.61 -0.02 1.15 0.00 0.00 0.00 179.25 180.75 3d3n h THR 92 N 0.46 1.27 -0.81 0.00 2.02 0.54 0.44 112.91 116.83 3d3n h THR 92 Ca 0.05 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 3d3n h THR 92 Cb 0.80 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3d3n h THR 92 CO 0.07 0.40 0.43 0.40 0.37 0.00 0.00 175.52 177.19 3d3n h ILE 93 N 0.84 1.24 -0.11 3.11 2.04 -1.03 -1.64 117.51 121.96 3d3n h ILE 93 Ca 0.15 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3d3n h ILE 93 Cb 0.56 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3d3n h ILE 93 CO 0.03 0.27 0.03 -0.78 0.00 0.00 0.00 178.15 177.70 3d3n h ASP 94 N 1.13 0.17 -0.18 1.72 1.82 -0.58 -2.56 116.42 117.93 3d3n h ASP 94 Ca 0.28 -0.22 0.05 0.00 -0.39 0.00 0.00 57.03 56.75 3d3n h ASP 94 Cb 0.03 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 3d3n h ASP 94 CO -0.04 0.35 0.18 -0.25 -1.61 0.00 0.00 179.24 177.86 3d3n h TRP 95 N -0.02 0.00 0.04 0.28 7.01 0.43 -1.50 115.95 122.20 3d3n h TRP 95 Ca 0.04 0.00 -0.28 0.00 2.11 0.00 0.00 58.89 60.76 3d3n h TRP 95 Cb 0.24 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3d3n h TRP 95 CO 0.00 0.00 -1.11 0.82 -2.79 0.00 0.00 178.44 175.37 3d3n h ILE 96 N 0.00 1.29 -0.87 2.65 2.04 -0.92 -2.93 117.51 118.77 3d3n h ILE 96 Ca 0.09 -2.34 0.01 0.00 1.00 0.00 0.00 64.86 63.62 3d3n h ILE 96 Cb 0.44 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 3d3n h ILE 96 CO -0.00 0.72 0.57 0.71 0.00 0.00 0.00 178.15 180.14 3d3n h THR 97 N 0.35 1.23 0.00 -0.27 1.35 -0.99 0.99 112.91 115.56 3d3n h THR 97 Ca -0.15 -0.42 -0.07 0.00 -0.55 0.00 0.00 66.41 65.22 3d3n h THR 97 Cb 1.77 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3d3n h THR 97 CO 0.21 0.22 -0.31 0.71 -0.25 0.00 0.00 175.52 176.10 3d3n h THR 98 N 1.18 1.01 -0.00 6.82 1.35 -1.54 -2.14 112.91 119.59 3d3n h THR 98 Ca 0.32 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3d3n h THR 98 Cb -0.12 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3d3n h THR 98 CO -0.07 0.30 -0.64 0.00 -0.25 0.00 0.00 175.52 174.87 3d3n n GLN 99 N -3.86 0.33 -0.22 4.72 1.13 -0.44 -4.55 117.38 114.48 3d3n n GLN 99 Ca -0.01 -0.24 -0.01 0.00 -1.94 0.00 0.00 57.00 54.79 3d3n n GLN 99 Cb 0.39 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.30 3d3n n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d3n h ALA 100 N 3.25 0.32 -0.25 -1.58 0.00 0.17 -2.67 119.26 118.49 3d3n h ALA 100 Ca 0.00 0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 3d3n h ALA 100 Cb 0.54 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3d3n h ALA 100 CO 0.00 -0.48 -0.52 0.77 0.00 0.00 0.00 179.25 179.01 3d3n h SER 101 N -0.04 0.90 0.15 0.00 0.02 -1.80 0.86 113.55 113.64 3d3n h SER 101 Ca 0.30 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3d3n h SER 101 Cb 0.51 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3d3n h SER 101 CO -0.68 1.28 -0.16 0.00 -1.14 0.00 0.00 176.83 176.13 3d3n h ALA 102 N 0.65 1.72 -0.13 3.77 0.00 -1.80 -3.05 119.26 120.41 3d3n h ALA 102 Ca 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3d3n h ALA 102 Cb 1.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3d3n h ALA 102 CO 0.12 0.21 -0.02 0.72 0.00 0.00 0.00 179.25 180.28 3d3n n HIS 103 N -4.35 0.48 -3.49 0.00 8.25 -1.03 -5.02 115.22 110.07 3d3n n HIS 103 Ca -0.02 -0.98 -0.16 0.00 -0.26 0.00 0.00 57.72 56.29 3d3n n HIS 103 Cb 0.23 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.10 3d3n n HIS 103 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3d3n n HIS 104 N -0.99 -2.39 -4.42 4.41 8.25 -0.87 -4.85 115.22 114.36 3d3n n HIS 104 Ca 0.19 0.90 -0.34 0.00 -0.26 0.00 0.00 57.72 58.22 3d3n n HIS 104 Cb 0.78 -3.40 -0.14 0.00 1.12 0.00 0.00 29.99 28.35 3d3n n HIS 104 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d3n s VAL 105 N -3.06 3.09 -0.61 1.59 1.01 0.24 -2.67 120.40 119.99 3d3n s VAL 105 Ca 0.07 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 3d3n s VAL 105 Cb -0.03 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 34.05 3d3n s VAL 105 CO 0.83 0.49 1.18 -0.62 0.00 0.00 0.00 175.10 176.98 3d3n s ASP 106 N 0.80 6.37 0.00 3.32 -1.08 -0.26 -4.75 116.67 121.07 3d3n s ASP 106 Ca -0.04 -0.08 0.26 0.00 -0.52 0.00 0.00 52.55 52.16 3d3n s ASP 106 Cb -0.15 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.18 3d3n s ASP 106 CO 0.01 -1.52 1.88 0.00 0.52 0.00 0.00 175.17 176.06 3d3n n GLN 108 N -1.16 1.27 -2.99 0.00 1.13 -1.26 -4.31 117.38 110.06 3d3n n GLN 108 Ca 0.15 -0.82 -0.21 0.00 -1.94 0.00 0.00 57.00 54.18 3d3n n GLN 108 Cb 0.15 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.99 3d3n n GLN 108 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3d3n n ARG 109 N -0.15 2.06 -3.33 -1.09 1.74 -1.02 -4.74 116.66 110.12 3d3n n ARG 109 Ca 0.14 -4.04 -0.38 0.00 -0.77 0.00 0.00 57.85 52.81 3d3n n ARG 109 Cb 0.38 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 3d3n n ARG 109 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3d3n s ILE 110 N -3.52 5.20 -0.06 0.55 1.01 -1.26 -2.60 121.20 120.51 3d3n s ILE 110 Ca 0.43 0.92 0.06 0.00 0.00 0.00 0.00 60.65 62.05 3d3n s ILE 110 Cb 0.34 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3d3n s ILE 110 CO -0.10 0.32 -0.25 -0.63 0.00 0.00 0.00 174.94 174.29 3d3n s ILE 111 N 0.66 2.03 -0.13 2.92 1.01 0.42 -0.84 121.20 127.27 3d3n s ILE 111 Ca 0.25 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3d3n s ILE 111 Cb -0.15 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3d3n s ILE 111 CO 0.10 0.56 0.12 -0.76 0.00 0.00 0.00 174.94 174.96 3d3n s LEU 112 N -0.07 4.23 -0.06 2.97 1.43 -0.43 -0.12 118.68 126.64 3d3n s LEU 112 Ca -0.06 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3d3n s LEU 112 Cb -0.14 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3d3n s LEU 112 CO 0.05 0.35 -0.06 0.00 0.23 0.00 0.00 176.35 176.92 3d3n s ALA 113 N -0.69 0.88 0.09 4.21 0.00 0.89 -0.36 121.76 126.79 3d3n s ALA 113 Ca 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.95 3d3n s ALA 113 Cb -0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 3d3n s ALA 113 CO 0.03 -0.09 -0.16 0.20 0.00 0.00 0.00 175.76 175.73 3d3n s GLY 114 N 1.09 1.03 -0.04 0.00 0.00 -0.05 0.70 107.32 110.05 3d3n s GLY 114 Ca -0.08 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.51 3d3n s GLY 114 CO -0.01 -1.17 -0.07 -1.36 0.00 0.00 0.00 173.10 170.49 3d3n s PHE 115 N -1.46 0.87 0.00 1.90 0.08 -0.81 -1.81 117.98 116.75 3d3n s PHE 115 Ca 0.03 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3d3n s PHE 115 Cb -0.09 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3d3n s PHE 115 CO 0.03 -0.15 0.00 0.45 -0.10 0.00 0.00 175.22 175.45 3d3n n SER 116 N 3.63 0.00 0.15 1.36 2.88 -0.72 0.48 113.62 121.41 3d3n n SER 116 Ca -0.21 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.46 3d3n n SER 116 Cb 0.53 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 64.65 3d3n n SER 116 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d3n h ALA 117 N -0.53 2.20 0.00 -1.46 0.00 -1.85 0.22 119.26 117.85 3d3n h ALA 117 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3d3n h ALA 117 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3d3n h ALA 117 CO 0.00 -0.27 -0.64 0.78 0.00 0.00 0.00 179.25 179.12 3d3n h GLY 118 N 0.00 0.00 1.69 0.00 0.00 0.64 -2.95 103.07 102.45 3d3n h GLY 118 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 3d3n h GLY 118 CO -0.00 0.00 -0.06 -1.33 0.00 0.00 0.00 176.54 175.15 3d3n h GLY 119 N 2.09 0.41 1.05 4.60 0.00 -0.24 -2.19 103.07 108.79 3d3n h GLY 119 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3d3n h GLY 119 CO 0.08 0.23 0.14 0.84 0.00 0.00 0.00 176.54 177.83 3d3n h HIS 120 N 0.37 1.13 -0.08 5.60 2.76 -1.30 0.21 115.15 123.84 3d3n h HIS 120 Ca 0.08 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.10 3d3n h HIS 120 Cb 0.34 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 3d3n h HIS 120 CO 0.01 0.94 0.03 0.28 -1.30 0.00 0.00 177.93 177.88 3d3n h VAL 121 N 0.99 1.16 -0.55 5.26 2.07 -1.51 -0.82 116.25 122.85 3d3n h VAL 121 Ca 0.20 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3d3n h VAL 121 Cb 0.40 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3d3n h VAL 121 CO 0.01 0.14 0.01 0.58 0.02 0.00 0.00 177.57 178.32 3d3n h VAL 122 N -0.06 1.26 -0.46 2.57 2.07 -1.19 -0.96 116.25 119.48 3d3n h VAL 122 Ca 0.02 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 3d3n h VAL 122 Cb 0.20 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3d3n h VAL 122 CO -0.00 0.39 -0.12 0.00 0.02 0.00 0.00 177.57 177.85 3d3n h ALA 123 N 1.13 0.63 -0.06 1.67 0.00 -0.52 -2.21 119.26 119.90 3d3n h ALA 123 Ca 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3d3n h ALA 123 Cb 0.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3d3n h ALA 123 CO 0.02 0.54 0.02 1.15 0.00 0.00 0.00 179.25 180.98 3d3n h THR 124 N 0.73 1.19 -0.31 0.00 2.02 -0.97 -2.32 112.91 113.25 3d3n h THR 124 Ca 0.11 -0.57 0.09 0.00 0.77 0.00 0.00 66.41 66.81 3d3n h THR 124 Cb 0.67 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3d3n h THR 124 CO 0.05 0.16 0.26 0.22 0.37 0.00 0.00 175.52 176.58 3d3n h TYR 125 N -0.11 0.00 0.00 3.16 3.20 -1.13 0.49 116.97 122.57 3d3n h TYR 125 Ca 0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3d3n h TYR 125 Cb 0.24 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3d3n h TYR 125 CO 0.00 0.00 -0.29 -0.97 -1.64 0.00 0.00 178.16 175.26 3d3n h ASN 126 N 0.00 0.00 0.20 -2.11 -1.24 -0.83 -1.26 115.58 110.35 3d3n h ASN 126 Ca 0.15 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.81 3d3n h ASN 126 Cb 0.66 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.67 3d3n h ASN 126 CO -0.00 0.29 -2.04 0.61 -1.29 0.00 0.00 177.43 175.00 3d3n n GLY 127 N 0.11 -0.72 0.09 1.57 0.00 0.14 -4.23 105.19 102.15 3d3n n GLY 127 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3d3n n GLY 127 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3d3n h VAL 128 N 0.03 1.02 0.00 1.61 2.07 -0.71 -3.33 116.25 116.95 3d3n h VAL 128 Ca -0.42 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3d3n h VAL 128 Cb 2.04 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.66 3d3n h VAL 128 CO 0.05 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3d3n n ALA 129 N -2.63 1.78 0.81 1.67 0.00 -0.48 -2.23 120.51 119.44 3d3n n ALA 129 Ca -0.07 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3d3n n ALA 129 Cb 0.28 -1.18 0.13 0.00 0.00 0.00 0.00 19.45 18.68 3d3n n ALA 129 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3d3n n THR 130 N -1.15 0.12 -3.83 0.00 -2.24 -1.25 -4.88 114.28 101.05 3d3n n THR 130 Ca 0.07 -0.56 -0.26 0.00 -2.27 0.00 0.00 64.05 61.02 3d3n n THR 130 Cb 0.06 1.37 -0.17 0.00 -2.10 0.00 0.00 70.33 69.49 3d3n n THR 130 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3d3n s GLN 131 N -1.83 1.06 0.27 -0.78 -0.21 -0.94 -4.84 119.66 112.38 3d3n s GLN 131 Ca 0.30 -0.25 -0.06 0.00 0.02 0.00 0.00 55.36 55.37 3d3n s GLN 131 Cb 0.20 -1.62 0.50 0.00 1.00 0.00 0.00 33.01 33.09 3d3n s GLN 131 CO 0.30 -0.40 1.59 -1.35 -2.12 0.00 0.00 175.29 173.31 3d3n h PRO 132 N 8.22 0.02 -0.59 2.91 0.11 -1.90 0.21 132.00 140.98 3d3n h PRO 132 Ca -0.22 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.97 3d3n h PRO 132 Cb 1.12 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3d3n h PRO 132 CO 0.35 0.01 0.23 0.93 -0.21 0.00 0.00 178.00 179.31 3d3n h GLU 133 N 0.02 0.40 -0.16 1.05 4.39 -1.96 -1.52 114.58 116.80 3d3n h GLU 133 Ca 0.48 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.97 3d3n h GLU 133 Cb 0.83 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3d3n h GLU 133 CO -0.88 0.27 -0.62 -0.07 -1.16 0.00 0.00 179.01 176.55 3d3n h LEU 134 N 0.42 0.66 -1.13 1.33 3.38 -0.95 -1.80 115.31 117.22 3d3n h LEU 134 Ca 0.30 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3d3n h LEU 134 Cb 0.35 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3d3n h LEU 134 CO -0.29 1.12 0.13 0.03 0.09 0.00 0.00 178.44 179.52 3d3n h ARG 135 N 0.43 0.75 0.12 1.13 3.08 -0.29 -1.57 114.38 118.02 3d3n h ARG 135 Ca -0.01 -0.14 -0.27 0.00 0.07 0.00 0.00 59.98 59.63 3d3n h ARG 135 Cb 1.19 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 31.13 3d3n h ARG 135 CO 0.12 0.67 -1.21 1.15 -1.07 0.00 0.00 179.97 179.63 3d3n h THR 136 N 0.73 1.45 -0.15 2.04 2.02 -1.27 0.73 112.91 118.45 3d3n h THR 136 Ca 0.17 -2.87 -0.06 0.00 0.77 0.00 0.00 66.41 64.41 3d3n h THR 136 Cb 0.25 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3d3n h THR 136 CO -0.00 0.84 -0.19 -0.09 0.37 0.00 0.00 175.52 176.45 3d3n h ARG 137 N 0.12 0.25 -0.25 6.66 2.43 -1.02 -2.84 114.38 119.73 3d3n h ARG 137 Ca -0.14 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3d3n h ARG 137 Cb 1.91 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 3d3n h ARG 137 CO 0.21 0.44 -0.00 0.66 -1.51 0.00 0.00 179.97 179.76 3d3n n TYR 138 N -4.22 0.92 -3.25 2.20 4.01 -0.62 -5.02 117.16 111.19 3d3n n TYR 138 Ca -0.01 -0.92 -0.18 0.00 -0.16 0.00 0.00 57.90 56.64 3d3n n TYR 138 Cb 0.32 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 3d3n n TYR 138 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3d3n n HIS 139 N -0.58 -2.90 -0.68 -0.72 8.25 -0.99 -4.79 115.22 112.81 3d3n n HIS 139 Ca 0.22 1.17 0.00 0.00 -0.26 0.00 0.00 57.72 58.85 3d3n n HIS 139 Cb 0.89 -3.22 0.00 0.00 1.12 0.00 0.00 29.99 28.79 3d3n n HIS 139 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3d3n n LEU 140 N -1.01 0.39 0.29 2.41 4.77 0.25 -4.83 117.00 119.27 3d3n n LEU 140 Ca -0.04 -0.39 0.17 0.00 -0.03 0.00 0.00 56.01 55.71 3d3n n LEU 140 Cb 0.57 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.52 3d3n n LEU 140 CO 0.54 0.10 1.04 0.44 -1.33 0.00 0.00 177.39 178.18 3d3n h ASP 141 N 0.00 0.00 0.26 -1.43 3.32 -1.91 -2.76 116.42 113.91 3d3n h ASP 141 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3d3n h ASP 141 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3d3n h ASP 141 CO 0.00 0.06 -0.35 0.00 -1.72 0.00 0.00 179.24 177.22 3d3n n HIS 142 N -3.35 0.00 -3.00 4.55 1.44 -1.26 -4.88 115.22 108.71 3d3n n HIS 142 Ca -0.02 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.31 3d3n n HIS 142 Cb 0.21 -0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.12 3d3n n HIS 142 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3d3n s TYR 143 N -2.62 3.82 0.22 -1.40 2.02 -1.04 -5.06 117.35 113.29 3d3n s TYR 143 Ca 0.20 1.57 0.03 0.00 -0.37 0.00 0.00 57.07 58.50 3d3n s TYR 143 Cb 0.19 -2.73 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 3d3n s TYR 143 CO 0.57 0.45 0.37 -0.65 -1.57 0.00 0.00 175.55 174.72 3d3n s GLN 144 N -1.44 3.46 0.00 -0.62 -1.52 -1.26 -5.02 119.66 113.26 3d3n s GLN 144 Ca 0.39 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.21 3d3n s GLN 144 Cb -0.21 -2.87 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 3d3n s GLN 144 CO 0.24 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 176.10 3d3n n GLY 145 N -1.10 -0.01 3.36 3.09 0.00 -1.26 -3.26 105.19 106.00 3d3n n GLY 145 Ca -0.07 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 3d3n n GLY 145 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3d3n s GLN 146 N -2.84 0.90 0.45 1.61 -2.07 -1.26 -4.93 119.66 111.52 3d3n s GLN 146 Ca 0.00 -0.11 -0.08 0.00 -1.82 0.00 0.00 55.36 53.35 3d3n s GLN 146 Cb 0.00 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 3d3n s GLN 146 CO 0.00 -0.29 0.78 -3.38 -1.32 0.00 0.00 175.29 171.09 3d3n s HIS 147 N -1.75 3.52 -0.03 9.60 -3.43 -1.26 -4.59 115.29 117.35 3d3n s HIS 147 Ca -0.10 0.95 0.18 0.00 -0.80 0.00 0.00 55.06 55.29 3d3n s HIS 147 Cb -0.02 -2.39 -0.28 0.00 -1.43 0.00 0.00 32.58 28.46 3d3n s HIS 147 CO 0.03 -0.20 0.39 0.00 -2.00 0.00 0.00 174.74 172.96 3d3n n ALA 148 N -1.78 2.63 -3.83 -1.38 0.00 -0.02 -4.94 120.51 111.19 3d3n n ALA 148 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 53.44 52.98 3d3n n ALA 148 Cb 0.54 -0.61 0.01 0.00 0.00 0.00 0.00 19.45 19.40 3d3n n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3n s ALA 149 N -3.23 -1.87 0.05 0.00 0.00 -1.24 -4.05 121.76 111.42 3d3n s ALA 149 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3d3n s ALA 149 Cb 0.11 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 3d3n s ALA 149 CO 0.76 -1.07 0.00 0.96 0.00 0.00 0.00 175.76 176.41 3d3n s ILE 150 N -2.41 0.20 -0.06 0.00 -4.36 -0.79 -1.31 121.20 112.46 3d3n s ILE 150 Ca 0.20 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3d3n s ILE 150 Cb -0.01 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.38 3d3n s ILE 150 CO 0.02 -0.89 -0.08 -0.63 0.24 0.00 0.00 174.94 173.60 3d3n s ILE 151 N -3.60 0.85 -0.09 8.37 1.01 0.51 -1.18 121.20 127.08 3d3n s ILE 151 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3d3n s ILE 151 Cb 0.05 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3d3n s ILE 151 CO -0.09 0.30 -0.15 -0.76 0.00 0.00 0.00 174.94 174.24 3d3n s LEU 152 N 0.90 1.72 -0.15 2.97 1.43 -0.13 -0.88 118.68 124.54 3d3n s LEU 152 Ca -0.11 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3d3n s LEU 152 Cb -0.15 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.03 3d3n s LEU 152 CO 0.01 0.03 -0.15 -0.83 0.23 0.00 0.00 176.35 175.64 3d3n s GLY 153 N 0.84 1.48 -0.77 -3.19 0.00 -0.75 -1.21 107.32 103.72 3d3n s GLY 153 Ca -0.10 -1.01 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 3d3n s GLY 153 CO 0.01 -0.03 0.26 1.58 0.00 0.00 0.00 173.10 174.92 3d3n n TYR 154 N 3.94 -0.77 -2.80 1.90 4.11 0.14 -1.75 117.16 121.92 3d3n n TYR 154 Ca -0.19 0.14 -0.36 0.00 -0.00 0.00 0.00 57.90 57.49 3d3n n TYR 154 Cb 0.52 -1.60 -0.07 0.00 -0.00 0.00 0.00 39.34 38.19 3d3n n TYR 154 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3d3n s PRO 155 N -6.14 4.47 -0.18 -3.48 0.04 -1.26 -2.09 135.00 126.37 3d3n s PRO 155 Ca 0.19 1.25 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 3d3n s PRO 155 Cb -0.11 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 3d3n s PRO 155 CO 0.57 0.20 0.69 0.08 0.04 0.00 0.00 177.00 178.58 3d3n s VAL 156 N -1.77 4.98 -0.10 -0.36 1.01 -0.83 -4.43 120.40 118.90 3d3n s VAL 156 Ca 0.53 1.34 -0.06 0.00 0.00 0.00 0.00 61.98 63.80 3d3n s VAL 156 Cb -0.16 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3d3n s VAL 156 CO 0.21 0.10 -0.14 -0.38 0.00 0.00 0.00 175.10 174.88 3d3n n ILE 157 N 4.60 0.67 -4.15 2.22 2.08 -1.26 -2.70 119.36 120.81 3d3n n ILE 157 Ca 0.00 -0.12 -0.35 0.00 0.56 0.00 0.00 62.75 62.85 3d3n n ILE 157 Cb 0.50 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.59 3d3n n ILE 157 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3d3n s ASP 158 N -6.00 4.94 0.00 4.38 -1.08 -1.26 -1.49 116.67 116.16 3d3n s ASP 158 Ca -0.15 -0.14 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 3d3n s ASP 158 Cb 0.06 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.68 3d3n s ASP 158 CO 0.19 0.11 0.54 0.18 0.52 0.00 0.00 175.17 176.71 3d3n n LEU 159 N 3.97 1.34 0.00 -1.34 4.77 -0.09 -2.55 117.00 123.10 3d3n n LEU 159 Ca -0.17 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3d3n n LEU 159 Cb 0.52 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3d3n n LEU 159 CO 0.32 0.27 0.09 0.35 -1.33 0.00 0.00 177.39 177.09 3d3n n THR 160 N 0.25 0.00 -1.35 -5.08 -2.24 -1.26 -4.36 114.28 100.25 3d3n n THR 160 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 3d3n n THR 160 Cb 0.27 0.85 0.09 0.00 -2.10 0.00 0.00 70.33 69.44 3d3n n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3d3n n ALA 161 N 0.00 6.17 0.00 6.98 0.00 -1.06 -4.86 120.51 127.74 3d3n n ALA 161 Ca 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 50.03 3d3n n ALA 161 Cb 0.40 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3d3n n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3n n GLY 162 N -0.95 3.01 3.27 0.00 0.00 -1.26 -4.64 105.19 104.63 3d3n n GLY 162 Ca 0.61 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3d3n n GLY 162 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d3n s PHE 163 N 0.00 2.64 0.99 1.61 5.36 -1.26 -3.55 117.98 123.77 3d3n s PHE 163 Ca 0.00 -0.90 -0.15 0.00 -0.96 0.00 0.00 56.93 54.92 3d3n s PHE 163 Cb 0.00 -1.75 0.19 0.00 -0.34 0.00 0.00 43.02 41.12 3d3n s PHE 163 CO 0.00 -0.34 1.19 -1.25 -1.46 0.00 0.00 175.22 173.37 3d3n s PRO 164 N 0.31 0.44 0.27 10.12 0.04 -1.26 -4.20 135.00 140.72 3d3n s PRO 164 Ca -0.16 -0.04 0.16 0.00 0.04 0.00 0.00 61.00 61.01 3d3n s PRO 164 Cb -0.17 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.65 3d3n s PRO 164 CO 0.08 -2.61 1.39 1.79 0.04 0.00 0.00 177.00 177.69 3d3n h THR 165 N -1.79 0.72 -4.31 1.26 1.35 -1.96 -3.46 112.91 104.72 3d3n h THR 165 Ca -0.47 -2.04 -0.68 0.00 -0.55 0.00 0.00 66.41 62.67 3d3n h THR 165 Cb 1.29 2.32 -0.27 0.00 -1.73 0.00 0.00 68.15 69.76 3d3n h THR 165 CO 0.47 0.41 -0.88 0.42 -0.25 0.00 0.00 175.52 175.69 3d3n s THR 166 N -2.99 2.09 0.49 6.82 -4.23 -1.26 -5.01 115.64 111.55 3d3n s THR 166 Ca 0.03 -1.35 0.26 0.00 -1.18 0.00 0.00 61.69 59.45 3d3n s THR 166 Cb 0.07 -1.78 0.30 0.00 1.34 0.00 0.00 72.50 72.43 3d3n s THR 166 CO 0.75 0.37 2.14 0.77 -0.54 0.00 0.00 174.62 178.10 3d3n h SER 167 N 4.85 0.00 -0.52 3.99 4.64 -1.96 -1.94 113.55 122.61 3d3n h SER 167 Ca -0.46 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3d3n h SER 167 Cb 1.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3d3n h SER 167 CO 0.44 0.07 0.15 0.00 -0.87 0.00 0.00 176.83 176.62 3d3n h ALA 168 N 1.93 0.68 0.00 5.18 0.00 -1.99 -1.13 119.26 123.93 3d3n h ALA 168 Ca -0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3d3n h ALA 168 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3d3n h ALA 168 CO 0.01 0.36 -0.30 0.00 0.00 0.00 0.00 179.25 179.32 3d3n h ALA 169 N 1.01 1.03 0.32 0.00 0.00 -1.79 -2.02 119.26 117.81 3d3n h ALA 169 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3d3n h ALA 169 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3d3n h ALA 169 CO -0.00 0.37 -0.15 -0.09 0.00 0.00 0.00 179.25 179.38 3d3n h ARG 170 N 0.00 -0.41 0.00 0.00 2.43 -0.97 -2.53 114.38 112.89 3d3n h ARG 170 Ca -0.00 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3d3n h ARG 170 Cb 0.80 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3d3n h ARG 170 CO 0.04 -0.08 -0.09 -0.91 -1.51 0.00 0.00 179.97 177.42 3d3n h ASN 171 N -0.87 0.00 -0.31 -3.80 2.35 -1.20 0.74 115.58 112.50 3d3n h ASN 171 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3d3n h ASN 171 Cb 0.52 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3d3n h ASN 171 CO 0.07 0.09 -0.14 -0.61 -1.65 0.00 0.00 177.43 175.18 3d3n h GLN 172 N 0.00 0.75 -0.37 0.81 5.75 -1.27 -2.49 115.11 118.29 3d3n h GLN 172 Ca -0.00 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 3d3n h GLN 172 Cb 0.22 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3d3n h GLN 172 CO 0.01 0.86 -0.00 0.82 -2.65 0.00 0.00 178.83 177.86 3d3n h ILE 173 N 0.67 1.26 -1.25 2.39 2.04 -0.45 -3.36 117.51 118.82 3d3n h ILE 173 Ca 0.11 -1.00 0.15 0.00 1.00 0.00 0.00 64.86 65.12 3d3n h ILE 173 Cb 0.62 1.17 -0.30 0.00 -0.74 0.00 0.00 36.82 37.57 3d3n h ILE 173 CO 0.04 0.33 0.75 0.28 0.00 0.00 0.00 178.15 179.56 3d3n s THR 174 N -4.99 0.00 -2.04 -0.27 -1.32 -0.69 -0.07 115.64 106.26 3d3n s THR 174 Ca -0.13 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.55 3d3n s THR 174 Cb 0.10 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.65 3d3n s THR 174 CO 0.79 0.00 1.47 0.35 -2.21 0.00 0.00 174.62 175.02 3d3n n THR 175 N 1.60 0.83 -3.26 5.08 -2.24 -1.22 -3.89 114.28 111.18 3d3n n THR 175 Ca -0.10 -0.85 -0.46 0.00 -2.27 0.00 0.00 64.05 60.37 3d3n n THR 175 Cb 0.57 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 3d3n n THR 175 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d3n s ASP 176 N -1.05 6.59 0.63 3.42 -1.08 -1.26 -4.90 116.67 119.02 3d3n s ASP 176 Ca 0.43 -2.33 0.34 0.00 -0.52 0.00 0.00 52.55 50.47 3d3n s ASP 176 Cb 0.23 -2.24 1.91 0.00 -1.46 0.00 0.00 42.92 41.35 3d3n s ASP 176 CO 0.30 -0.74 2.16 0.00 0.52 0.00 0.00 175.17 177.41 3d3n h ALA 177 N 8.25 1.44 0.00 3.66 0.00 -2.02 -0.22 119.26 130.37 3d3n h ALA 177 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d3n h ALA 177 Cb 1.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3d3n h ALA 177 CO 0.88 -0.19 0.00 -0.09 0.00 0.00 0.00 179.25 179.86 3d3n h ARG 178 N 0.00 0.00 -0.34 0.00 2.43 -1.99 -1.40 114.38 113.08 3d3n h ARG 178 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3d3n h ARG 178 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3d3n h ARG 178 CO -0.00 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.74 3d3n n LEU 179 N -2.64 3.13 -0.03 3.80 4.77 -0.10 -4.63 117.00 121.30 3d3n n LEU 179 Ca -0.01 -2.19 -0.14 0.00 -0.03 0.00 0.00 56.01 53.65 3d3n n LEU 179 Cb 0.14 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3d3n n LEU 179 CO 0.18 0.72 0.52 -0.50 -1.33 0.00 0.00 177.39 176.99 3d3n h TRP 180 N 2.04 0.26 -3.45 -1.77 6.55 -1.31 -3.42 115.95 114.85 3d3n h TRP 180 Ca 0.00 -0.10 -0.71 0.00 0.95 0.00 0.00 58.89 59.03 3d3n h TRP 180 Cb 0.87 -0.04 -0.31 0.00 -0.86 0.00 0.00 29.16 28.82 3d3n h TRP 180 CO 0.29 0.77 -0.49 0.00 -1.05 0.00 0.00 178.44 177.96 3d3n s ALA 181 N -3.79 3.24 0.32 1.49 0.00 -1.26 -0.91 121.76 120.84 3d3n s ALA 181 Ca -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 51.96 49.47 3d3n s ALA 181 Cb 0.03 -2.56 0.53 0.00 0.00 0.00 0.00 23.12 21.11 3d3n s ALA 181 CO 0.73 -1.73 1.95 0.00 0.00 0.00 0.00 175.76 176.71 3d3n h ALA 182 N 8.27 1.42 -0.99 0.00 0.00 -1.52 -2.52 119.26 123.92 3d3n h ALA 182 Ca -0.19 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3d3n h ALA 182 Cb 1.07 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3d3n h ALA 182 CO 0.75 0.48 0.64 -0.56 0.00 0.00 0.00 179.25 180.56 3d3n h GLN 183 N 0.89 1.07 -1.05 0.00 -0.00 -1.91 -1.18 115.11 112.93 3d3n h GLN 183 Ca 0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 3d3n h GLN 183 Cb 0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 27.48 27.25 3d3n h GLN 183 CO -0.04 0.70 0.00 0.54 -0.00 0.00 0.00 178.83 180.04 3d3n n ARG 184 N -4.54 0.77 0.00 0.06 1.74 -0.95 -2.11 116.66 111.63 3d3n n ARG 184 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3d3n n ARG 184 Cb 0.25 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 3d3n n ARG 184 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d3n n LEU 185 N 0.42 0.00 -4.71 0.55 4.77 -0.45 -5.06 117.00 112.52 3d3n n LEU 185 Ca 0.00 -0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 3d3n n LEU 185 Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3d3n n LEU 185 CO 0.00 0.00 1.30 -0.69 -1.33 0.00 0.00 177.39 176.67 3d3n s VAL 186 N -0.56 2.48 0.13 4.08 1.01 -0.90 -4.69 120.40 121.95 3d3n s VAL 186 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3d3n s VAL 186 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3d3n s VAL 186 CO 0.00 0.02 0.01 0.42 0.00 0.00 0.00 175.10 175.55 3d3n s THR 187 N 1.45 0.40 0.23 3.92 -4.23 -1.26 -4.97 115.64 111.18 3d3n s THR 187 Ca 0.73 -1.92 0.17 0.00 -1.18 0.00 0.00 61.69 59.48 3d3n s THR 187 Cb -0.45 -1.95 0.17 0.00 1.34 0.00 0.00 72.50 71.60 3d3n s THR 187 CO 0.32 -0.60 1.43 -0.65 -0.54 0.00 0.00 174.62 174.58 3d3n h PRO 188 N 2.86 0.00 0.00 3.99 0.11 -1.96 0.38 132.00 137.38 3d3n h PRO 188 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3d3n h PRO 188 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d3n h PRO 188 CO 0.62 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.04 3d3n h ALA 189 N 1.14 0.80 -2.66 -0.75 0.00 -1.90 -3.47 119.26 112.43 3d3n h ALA 189 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3d3n h ALA 189 Cb 0.71 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.67 3d3n h ALA 189 CO 0.00 0.00 -0.14 0.43 0.00 0.00 0.00 179.25 179.54 3d3n n SER 190 N -2.74 -0.21 -4.88 0.00 7.64 0.13 -4.92 113.62 108.64 3d3n n SER 190 Ca 0.03 0.74 -0.30 0.00 1.01 0.00 0.00 58.87 60.35 3d3n n SER 190 Cb 0.51 -1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3d3n n SER 190 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3d3n s LYS 191 N -2.54 3.64 0.54 1.43 -0.14 -1.26 -4.95 119.74 116.45 3d3n s LYS 191 Ca 0.72 0.52 -0.22 0.00 -1.36 0.00 0.00 55.97 55.64 3d3n s LYS 191 Cb -0.41 -2.24 -0.06 0.00 -1.68 0.00 0.00 37.83 33.44 3d3n s LYS 191 CO 0.51 -0.32 1.22 -2.30 -0.76 0.00 0.00 175.35 173.70 3d3n n PRO 192 N -2.24 1.48 -4.07 -1.68 -0.02 -1.26 -4.80 135.00 122.42 3d3n n PRO 192 Ca 0.03 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 3d3n n PRO 192 Cb 0.54 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 3d3n n PRO 192 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d3n s ALA 193 N -1.33 0.35 -0.27 3.55 0.00 -1.05 -1.89 121.76 121.13 3d3n s ALA 193 Ca 0.71 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 3d3n s ALA 193 Cb -0.44 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 22.68 3d3n s ALA 193 CO 0.50 0.04 -0.04 0.12 0.00 0.00 0.00 175.76 176.38 3d3n s PHE 194 N -0.45 3.15 -0.05 0.00 2.19 -0.32 -2.04 117.98 120.45 3d3n s PHE 194 Ca -0.02 -1.73 0.03 0.00 0.33 0.00 0.00 56.93 55.54 3d3n s PHE 194 Cb -0.04 -2.07 -0.03 0.00 -1.31 0.00 0.00 43.02 39.58 3d3n s PHE 194 CO -0.00 -0.77 -0.14 0.08 1.83 0.00 0.00 175.22 176.22 3d3n s VAL 195 N 1.28 3.06 0.05 3.12 1.01 0.21 -0.96 120.40 128.18 3d3n s VAL 195 Ca -0.03 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 3d3n s VAL 195 Cb -0.18 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.02 3d3n s VAL 195 CO -0.03 0.59 0.30 -1.66 0.00 0.00 0.00 175.10 174.30 3d3n s TRP 196 N -0.67 -0.09 -0.17 5.22 -2.14 -0.35 -0.52 118.94 120.22 3d3n s TRP 196 Ca 0.10 -0.09 -0.34 0.00 2.66 0.00 0.00 56.10 58.43 3d3n s TRP 196 Cb -0.11 0.10 0.14 0.00 -3.10 0.00 0.00 33.47 30.49 3d3n s TRP 196 CO 0.01 -0.53 1.18 -1.14 -2.66 0.00 0.00 176.95 173.81 3d3n s GLN 197 N -2.78 0.36 0.16 3.25 0.74 -0.51 -0.69 119.66 120.19 3d3n s GLN 197 Ca -0.03 -0.12 -0.07 0.00 0.05 0.00 0.00 55.36 55.18 3d3n s GLN 197 Cb -0.00 0.16 -0.06 0.00 1.10 0.00 0.00 33.01 34.21 3d3n s GLN 197 CO -0.05 -0.15 0.44 0.95 -0.55 0.00 0.00 175.29 175.92 3d3n s THR 198 N -2.43 5.08 -1.32 -0.34 -4.23 -1.26 -1.03 115.64 110.11 3d3n s THR 198 Ca 0.09 0.24 0.29 0.00 -1.18 0.00 0.00 61.69 61.13 3d3n s THR 198 Cb -0.01 -3.63 0.38 0.00 1.34 0.00 0.00 72.50 70.58 3d3n s THR 198 CO -0.05 0.04 1.91 0.00 -0.54 0.00 0.00 174.62 175.98 3d3n n ALA 199 N 0.14 2.61 -0.63 3.99 0.00 -0.46 -3.33 120.51 122.83 3d3n n ALA 199 Ca -0.02 -0.18 0.09 0.00 0.00 0.00 0.00 53.44 53.33 3d3n n ALA 199 Cb 0.52 -1.41 0.36 0.00 0.00 0.00 0.00 19.45 18.92 3d3n n ALA 199 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3d3n n THR 200 N -1.28 1.85 -2.71 0.00 5.66 -1.26 -4.94 114.28 111.59 3d3n n THR 200 Ca 0.11 -1.21 -0.43 0.00 -3.05 0.00 0.00 64.05 59.47 3d3n n THR 200 Cb 0.29 0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 69.16 3d3n n THR 200 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3d3n s ASP 201 N -0.93 6.82 -0.07 1.09 2.15 -1.21 -4.91 116.67 119.62 3d3n s ASP 201 Ca 0.51 0.86 0.07 0.00 0.43 0.00 0.00 52.55 54.42 3d3n s ASP 201 Cb 0.33 -2.51 -0.24 0.00 -0.30 0.00 0.00 42.92 40.20 3d3n s ASP 201 CO 0.25 -0.87 0.58 -0.62 -0.17 0.00 0.00 175.17 174.33 3d3n n GLU 202 N 6.83 0.67 -0.12 4.34 1.02 -1.26 -4.29 120.64 127.83 3d3n n GLU 202 Ca 0.10 0.29 -0.06 0.00 -0.02 0.00 0.00 57.16 57.46 3d3n n GLU 202 Cb 0.48 -1.77 0.02 0.00 -0.02 0.00 0.00 31.44 30.14 3d3n n GLU 202 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3d3n h SER 203 N 0.02 0.28 -3.48 1.62 4.64 -2.02 -3.40 113.55 111.21 3d3n h SER 203 Ca -0.33 0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.44 3d3n h SER 203 Cb 2.02 -0.03 -0.38 0.00 -0.31 0.00 0.00 62.40 63.70 3d3n h SER 203 CO 0.08 0.20 -0.78 0.54 -0.87 0.00 0.00 176.83 176.00 3d3n s VAL 204 N -6.15 1.19 -0.14 0.95 0.11 -1.26 -4.82 120.40 110.28 3d3n s VAL 204 Ca -0.13 -0.93 -0.39 0.00 -2.93 0.00 0.00 61.98 57.59 3d3n s VAL 204 Cb 0.12 -1.50 -0.17 0.00 -1.53 0.00 0.00 36.38 33.30 3d3n s VAL 204 CO 0.72 -0.08 1.54 -2.65 -3.33 0.00 0.00 175.10 171.30 3d3n n PRO 205 N 4.81 1.01 0.26 1.54 -0.02 -1.26 -4.85 135.00 136.49 3d3n n PRO 205 Ca -0.11 0.37 0.18 0.00 -2.02 0.00 0.00 63.50 61.91 3d3n n PRO 205 Cb 0.46 -2.01 0.91 0.00 -0.02 0.00 0.00 33.50 32.83 3d3n n PRO 205 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d3n h PRO 206 N 5.82 0.00 -0.23 0.52 0.11 -1.89 -1.93 132.00 134.41 3d3n h PRO 206 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3d3n h PRO 206 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3d3n h PRO 206 CO 0.87 0.00 0.15 0.97 -0.21 0.00 0.00 178.00 179.79 3d3n h ILE 207 N 0.00 1.03 -0.56 4.15 -0.00 -1.91 -1.97 117.51 118.26 3d3n h ILE 207 Ca 0.05 -0.09 0.10 0.00 -0.00 0.00 0.00 64.86 64.92 3d3n h ILE 207 Cb 0.45 0.74 -0.08 0.00 -0.00 0.00 0.00 36.82 37.93 3d3n h ILE 207 CO -0.00 0.05 0.13 0.78 -0.00 0.00 0.00 178.15 179.10 3d3n h ASN 208 N 0.26 0.02 0.43 2.19 2.35 -1.64 0.37 115.58 119.57 3d3n h ASN 208 Ca 0.09 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3d3n h ASN 208 Cb 0.04 0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3d3n h ASN 208 CO -0.02 0.03 -0.21 0.28 -1.65 0.00 0.00 177.43 175.86 3d3n h SER 209 N 0.26 -0.49 -0.43 5.81 0.02 -1.56 -2.77 113.55 114.40 3d3n h SER 209 Ca 0.29 -0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.28 3d3n h SER 209 Cb 0.40 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 62.97 3d3n h SER 209 CO -0.36 -0.27 -0.29 -0.07 -1.14 0.00 0.00 176.83 174.70 3d3n h LEU 210 N -0.69 -0.96 -0.62 5.07 3.38 -1.26 0.54 115.31 120.78 3d3n h LEU 210 Ca -0.06 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.22 3d3n h LEU 210 Cb 0.50 0.47 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 3d3n h LEU 210 CO 0.10 -0.29 -0.08 0.11 0.09 0.00 0.00 178.44 178.37 3d3n h LYS 211 N -0.20 0.05 -0.07 1.13 1.57 -0.89 -0.45 116.57 117.71 3d3n h LYS 211 Ca 0.19 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3d3n h LYS 211 Cb 0.51 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3d3n h LYS 211 CO -0.55 0.03 -0.04 -0.92 -0.57 0.00 0.00 179.45 177.41 3d3n h TYR 212 N 0.05 0.17 -0.70 -1.35 3.20 -0.97 -2.91 116.97 114.46 3d3n h TYR 212 Ca 0.31 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 62.21 3d3n h TYR 212 Cb 0.49 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3d3n h TYR 212 CO -0.44 0.54 0.46 0.28 -1.64 0.00 0.00 178.16 177.36 3d3n h VAL 213 N -0.25 0.98 0.79 1.81 2.07 -0.46 -2.71 116.25 118.49 3d3n h VAL 213 Ca 0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3d3n h VAL 213 Cb 0.50 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3d3n h VAL 213 CO 0.01 0.12 -0.38 -0.61 0.02 0.00 0.00 177.57 176.73 3d3n h GLN 214 N 0.67 -1.02 -0.29 1.57 -0.00 -1.07 -0.27 115.11 114.70 3d3n h GLN 214 Ca 0.31 0.07 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 3d3n h GLN 214 Cb 0.34 0.23 0.00 0.00 0.00 0.00 0.00 27.48 28.05 3d3n h GLN 214 CO -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 178.83 178.06 3d3n n ALA 215 N -2.63 0.45 0.00 3.38 0.00 -1.02 0.36 120.51 121.05 3d3n n ALA 215 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3d3n n ALA 215 Cb 0.43 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.47 3d3n n ALA 215 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3d3n n LEU 217 N 0.31 0.00 -0.13 0.00 4.77 -0.11 -1.47 117.00 120.37 3d3n n LEU 217 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3d3n n LEU 217 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3d3n n LEU 217 CO 0.00 0.00 0.88 -0.61 -1.33 0.00 0.00 177.39 176.33 3d3n h GLN 218 N 0.00 0.60 -0.94 3.23 5.75 -0.35 -2.34 115.11 121.06 3d3n h GLN 218 Ca 0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3d3n h GLN 218 Cb 0.00 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 3d3n h GLN 218 CO 0.00 0.61 0.02 0.72 -2.65 0.00 0.00 178.83 177.54 3d3n n HIS 219 N -4.61 0.42 -3.90 3.99 8.25 -0.54 -4.88 115.22 113.96 3d3n n HIS 219 Ca -0.01 -0.26 -0.25 0.00 -0.26 0.00 0.00 57.72 56.95 3d3n n HIS 219 Cb 0.18 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 3d3n n HIS 219 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3d3n n GLN 220 N 0.13 -3.81 -4.37 -0.41 6.02 -0.88 -4.25 117.38 109.82 3d3n n GLN 220 Ca 0.06 0.47 -0.34 0.00 -0.01 0.00 0.00 57.00 57.18 3d3n n GLN 220 Cb 0.48 -4.76 -0.12 0.00 1.02 0.00 0.00 30.24 26.86 3d3n n GLN 220 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3d3n s VAL 221 N -3.83 3.88 0.07 5.09 1.01 -1.26 -5.03 120.40 120.33 3d3n s VAL 221 Ca 0.06 -0.36 -0.37 0.00 0.00 0.00 0.00 61.98 61.31 3d3n s VAL 221 Cb -0.03 -2.70 -0.17 0.00 0.00 0.00 0.00 36.38 33.47 3d3n s VAL 221 CO 0.87 0.49 1.24 0.00 0.00 0.00 0.00 175.10 177.70 3d3n n ALA 222 N 3.62 -1.68 -3.06 5.51 0.00 -1.26 -4.52 120.51 119.11 3d3n n ALA 222 Ca -0.17 0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 3d3n n ALA 222 Cb 0.52 -1.98 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 3d3n n ALA 222 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3d3n s THR 223 N 0.28 0.02 -0.22 0.00 -1.32 -1.26 -2.52 115.64 110.62 3d3n s THR 223 Ca 0.85 -1.33 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 3d3n s THR 223 Cb -1.03 -2.04 0.10 0.00 -1.51 0.00 0.00 72.50 68.02 3d3n s THR 223 CO 0.50 -0.08 0.44 0.00 -2.21 0.00 0.00 174.62 173.27 3d3n s ALA 224 N -3.99 -1.27 -0.10 11.08 0.00 -0.87 -4.98 121.76 121.63 3d3n s ALA 224 Ca 0.20 1.52 0.03 0.00 0.00 0.00 0.00 51.96 53.71 3d3n s ALA 224 Cb 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 3d3n s ALA 224 CO 0.05 -0.85 -0.19 -0.47 0.00 0.00 0.00 175.76 174.29 3d3n s TYR 225 N 2.64 2.64 -0.32 0.00 5.04 -1.25 0.65 117.35 126.75 3d3n s TYR 225 Ca 0.00 -0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 53.82 3d3n s TYR 225 Cb -0.13 -1.74 0.11 0.00 0.35 0.00 0.00 41.96 40.55 3d3n s TYR 225 CO -0.14 -0.28 0.13 -1.01 -1.34 0.00 0.00 175.55 172.91 3d3n s HIS 226 N 0.20 1.30 -0.73 4.97 3.76 0.32 -4.99 115.29 120.13 3d3n s HIS 226 Ca -0.12 -1.56 -0.15 0.00 -0.15 0.00 0.00 55.06 53.07 3d3n s HIS 226 Cb -0.16 -1.46 0.18 0.00 1.11 0.00 0.00 32.58 32.24 3d3n s HIS 226 CO 0.06 -0.85 0.71 -1.17 -0.85 0.00 0.00 174.74 172.64 3d3n s LEU 227 N 1.60 6.34 0.53 0.89 2.96 -1.26 -1.42 118.68 128.33 3d3n s LEU 227 Ca 0.11 -2.26 -0.21 0.00 -0.22 0.00 0.00 54.13 51.55 3d3n s LEU 227 Cb -0.18 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 3d3n s LEU 227 CO -0.24 -0.74 1.24 -0.36 -1.32 0.00 0.00 176.35 174.92 3d3n s PHE 228 N 1.01 2.52 0.04 5.38 0.08 -0.20 -4.79 117.98 122.02 3d3n s PHE 228 Ca 0.14 1.48 -0.18 0.00 0.12 0.00 0.00 56.93 58.48 3d3n s PHE 228 Cb -0.17 -3.55 -0.18 0.00 -0.57 0.00 0.00 43.02 38.55 3d3n s PHE 228 CO -0.04 -2.19 1.24 0.78 -0.10 0.00 0.00 175.22 174.91 3d3n h GLY 229 N 1.48 0.53 0.00 4.36 0.00 -1.96 -1.22 103.07 106.26 3d3n h GLY 229 Ca -0.50 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.10 3d3n h GLY 229 CO 0.58 0.65 0.00 -1.26 0.00 0.00 0.00 176.54 176.50 3d3n n SER 230 N -4.29 0.00 0.00 0.19 2.88 -1.26 -4.28 113.62 106.85 3d3n n SER 230 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 3d3n n SER 230 Cb 0.56 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3d3n n SER 230 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d3n n ALA 256 N -1.49 0.00 -0.02 -1.46 0.00 -1.26 -4.56 120.51 111.71 3d3n n ALA 256 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3d3n n ALA 256 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3d3n n ALA 256 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3d3n h ILE 257 N 0.00 0.00 -0.67 0.00 2.04 -2.06 -3.34 117.51 113.48 3d3n h ILE 257 Ca 0.00 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3d3n h ILE 257 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 3d3n h ILE 257 CO 0.00 0.00 0.37 4.11 0.00 0.00 0.00 178.15 182.63 3d3n h TRP 258 N -1.01 0.89 -0.75 1.37 5.08 -2.00 -2.51 115.95 117.01 3d3n h TRP 258 Ca -0.01 -0.01 0.10 0.00 1.08 0.00 0.00 58.89 60.05 3d3n h TRP 258 Cb 0.05 -0.29 -0.07 0.00 -3.00 0.00 0.00 29.16 25.84 3d3n h TRP 258 CO 0.00 0.62 0.39 -1.35 -1.28 0.00 0.00 178.44 176.82 3d3n h PRO 259 N 0.92 0.64 -0.47 0.12 0.11 -2.00 0.38 132.00 131.71 3d3n h PRO 259 Ca 0.24 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 3d3n h PRO 259 Cb 0.01 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3d3n h PRO 259 CO -0.04 0.42 0.21 1.96 -0.21 0.00 0.00 178.00 180.35 3d3n h GLN 260 N 0.66 0.68 -0.58 1.05 4.20 -1.58 -0.90 115.11 118.64 3d3n h GLN 260 Ca 0.37 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 3d3n h GLN 260 Cb 0.38 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3d3n h GLN 260 CO -0.27 0.59 0.11 -0.07 -0.67 0.00 0.00 178.83 178.52 3d3n h LEU 261 N 0.61 0.91 -0.36 1.46 3.38 -1.03 -1.85 115.31 118.44 3d3n h LEU 261 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3d3n h LEU 261 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3d3n h LEU 261 CO -0.02 0.93 0.17 0.00 0.09 0.00 0.00 178.44 179.61 3d3n h ALA 262 N 1.02 0.47 -0.61 1.53 0.00 -0.03 -0.35 119.26 121.27 3d3n h ALA 262 Ca 0.18 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3d3n h ALA 262 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3d3n h ALA 262 CO 0.01 0.03 0.12 -0.07 0.00 0.00 0.00 179.25 179.34 3d3n h LEU 263 N 0.45 0.93 -0.74 0.00 3.38 -1.07 -0.33 115.31 117.92 3d3n h LEU 263 Ca 0.12 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3d3n h LEU 263 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3d3n h LEU 263 CO -0.02 0.92 -0.27 -0.09 0.09 0.00 0.00 178.44 179.07 3d3n h ARG 264 N 0.93 0.67 -0.49 1.13 9.65 -1.15 -1.70 114.38 123.42 3d3n h ARG 264 Ca 0.19 -0.28 -0.13 0.00 -1.10 0.00 0.00 59.98 58.66 3d3n h ARG 264 Cb 0.37 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 3d3n h ARG 264 CO 0.01 0.87 -0.22 2.35 2.80 0.00 0.00 179.97 185.78 3d3n h TRP 265 N 0.58 1.15 -0.21 2.20 7.01 -0.50 -1.43 115.95 124.73 3d3n h TRP 265 Ca 0.07 -0.28 -0.05 0.00 2.11 0.00 0.00 58.89 60.74 3d3n h TRP 265 Cb 0.76 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 3d3n h TRP 265 CO 0.03 1.11 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.62 3d3n h LEU 266 N 0.86 0.32 -0.09 0.65 3.38 -0.84 0.14 115.31 119.73 3d3n h LEU 266 Ca 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3d3n h LEU 266 Cb 0.80 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3d3n h LEU 266 CO 0.07 0.46 -0.03 1.56 0.09 0.00 0.00 178.44 180.58 3d3n h GLN 267 N 0.32 0.18 -0.51 1.13 4.20 -0.96 0.26 115.11 119.74 3d3n h GLN 267 Ca 0.07 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.80 3d3n h GLN 267 Cb 0.38 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 3d3n h GLN 267 CO 0.02 0.52 -0.01 0.93 -0.67 0.00 0.00 178.83 179.62 3d3n h GLU 268 N -0.17 0.11 0.00 1.46 5.08 -0.71 0.83 114.58 121.17 3d3n h GLU 268 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3d3n h GLU 268 Cb 0.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3d3n h GLU 268 CO 0.01 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 3d3n n GLN 269 N -5.24 0.27 -1.66 2.33 1.13 -0.01 -4.81 117.38 109.38 3d3n n GLN 269 Ca 0.06 0.11 -0.13 0.00 -1.94 0.00 0.00 57.00 55.10 3d3n n GLN 269 Cb 0.28 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 3d3n n GLN 269 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d3n n GLY 270 N -0.08 0.92 0.28 1.08 0.00 0.29 -4.87 105.19 102.81 3d3n n GLY 270 Ca 0.08 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3d3n n GLY 270 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d3n n LEU 271 N -1.65 1.24 -4.41 0.99 4.77 0.86 -4.77 117.00 114.02 3d3n n LEU 271 Ca -0.14 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 3d3n n LEU 271 Cb 0.50 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3d3n n LEU 271 CO 0.20 0.24 -0.11 -0.76 -1.33 0.00 0.00 177.39 175.63 3d3n s LEU 272 N -2.55 4.96 0.00 2.23 1.43 -1.06 -4.81 118.68 118.87 3d3n s LEU 272 Ca 0.21 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3d3n s LEU 272 Cb 0.19 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.31 3d3n s LEU 272 CO 0.56 -0.43 0.00 0.00 0.23 0.00 0.00 176.35 176.71