#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkq s LEU -4 N 0.00 4.37 0.07 1.20 1.43 -1.26 -5.12 118.68 119.37 3dkq s LEU -4 Ca 0.00 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 3dkq s LEU -4 Cb 0.00 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3dkq s LEU -4 CO 0.00 0.27 -0.13 -0.31 0.23 0.00 0.00 176.35 176.41 3dkq s TYR -3 N -1.28 1.13 0.51 0.29 1.51 -1.26 -5.08 117.35 113.17 3dkq s TYR -3 Ca 0.26 -0.49 -0.21 0.00 -1.01 0.00 0.00 57.07 55.62 3dkq s TYR -3 Cb -0.13 -0.63 -0.06 0.00 -0.11 0.00 0.00 41.96 41.02 3dkq s TYR -3 CO 0.16 0.03 1.14 -0.06 -1.11 0.00 0.00 175.55 175.71 3dkq s PHE -2 N -1.46 2.75 -0.70 2.71 0.08 -1.26 -4.65 117.98 115.45 3dkq s PHE -2 Ca -0.02 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 58.55 3dkq s PHE -2 Cb -0.09 -3.31 0.18 0.00 -0.57 0.00 0.00 43.02 39.22 3dkq s PHE -2 CO 0.02 -1.53 0.53 -0.65 -0.10 0.00 0.00 175.22 173.49 3dkq s GLN -1 N -3.09 2.74 0.00 0.44 -0.21 -1.26 -4.98 119.66 113.30 3dkq s GLN -1 Ca 0.70 -2.76 0.00 0.00 0.02 0.00 0.00 55.36 53.32 3dkq s GLN -1 Cb -0.25 -3.77 0.00 0.00 1.00 0.00 0.00 33.01 29.99 3dkq s GLN -1 CO 0.29 -1.20 0.00 0.41 -2.12 0.00 0.00 175.29 172.67 3dkq n GLY 0 N 3.12 0.80 0.00 3.09 0.00 -1.26 -4.76 105.19 106.18 3dkq n GLY 0 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3dkq n GLY 0 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3dkq n LEU 2 N 0.00 0.00 -3.98 0.99 -0.00 -1.26 -5.20 117.00 107.54 3dkq n LEU 2 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.84 3dkq n LEU 2 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 3dkq n LEU 2 CO 0.00 0.00 -0.41 -0.51 -0.00 0.00 0.00 177.39 176.47 3dkq s ILE 3 N 0.00 0.53 -0.19 1.47 2.07 -0.37 -4.49 121.20 120.22 3dkq s ILE 3 Ca 0.00 -0.28 -0.09 0.00 -1.41 0.00 0.00 60.65 58.87 3dkq s ILE 3 Cb 0.00 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 3dkq s ILE 3 CO 0.00 0.15 0.09 -1.61 -1.91 0.00 0.00 174.94 171.66 3dkq s GLU 4 N -0.13 4.06 -0.40 3.50 2.02 -1.26 -0.61 118.70 125.87 3dkq s GLU 4 Ca 0.02 -0.30 -0.03 0.00 0.02 0.00 0.00 54.97 54.68 3dkq s GLU 4 Cb -0.03 -3.31 0.11 0.00 0.10 0.00 0.00 34.13 31.00 3dkq s GLU 4 CO -0.00 0.26 0.20 0.42 0.02 0.00 0.00 175.26 176.16 3dkq s ILE 5 N 0.42 3.32 0.62 -1.63 -1.09 0.88 -4.89 121.20 118.84 3dkq s ILE 5 Ca 0.05 -1.99 -0.12 0.00 -2.23 0.00 0.00 60.65 56.36 3dkq s ILE 5 Cb -0.12 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 3dkq s ILE 5 CO -0.00 -0.66 1.03 -2.16 -1.23 0.00 0.00 174.94 171.92 3dkq s PRO 6 N 1.16 3.51 -1.48 2.79 0.04 -1.26 -1.15 135.00 138.61 3dkq s PRO 6 Ca 0.07 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 3dkq s PRO 6 Cb -0.23 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.26 3dkq s PRO 6 CO -0.04 -0.64 0.35 -1.71 0.04 0.00 0.00 177.00 175.00 3dkq n ASN 7 N -2.65 -0.28 -0.22 6.66 5.15 -1.25 -4.86 115.26 117.81 3dkq n ASN 7 Ca 0.06 -1.08 -0.08 0.00 -0.60 0.00 0.00 54.58 52.89 3dkq n ASN 7 Cb 0.54 -2.64 0.05 0.00 -0.53 0.00 0.00 39.78 37.20 3dkq n ASN 7 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3dkq h VAL 8 N -1.78 1.26 -4.25 3.44 2.07 -0.96 -3.41 116.25 112.62 3dkq h VAL 8 Ca -0.63 -1.07 -0.60 0.00 0.82 0.00 0.00 66.70 65.21 3dkq h VAL 8 Cb 1.38 0.69 -0.27 0.00 -1.52 0.00 0.00 31.29 31.57 3dkq h VAL 8 CO 0.66 0.40 -0.85 -0.36 0.02 0.00 0.00 177.57 177.44 3dkq s PHE 9 N -5.14 1.90 0.98 1.57 0.08 -1.04 -4.98 117.98 111.35 3dkq s PHE 9 Ca -0.12 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.44 3dkq s PHE 9 Cb 0.14 -1.15 0.18 0.00 -0.57 0.00 0.00 43.02 41.61 3dkq s PHE 9 CO 0.85 0.07 1.09 -1.54 -0.10 0.00 0.00 175.22 175.59 3dkq s SER 10 N -1.04 2.76 0.31 1.36 1.04 -1.26 -4.55 113.70 112.31 3dkq s SER 10 Ca 0.08 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 3dkq s SER 10 Cb -0.09 -2.04 0.48 0.00 0.10 0.00 0.00 66.02 64.47 3dkq s SER 10 CO 0.01 -3.07 1.94 0.11 0.98 0.00 0.00 173.24 173.21 3dkq h LYS 11 N -1.85 0.96 -0.42 4.02 1.79 -1.99 0.04 116.57 119.13 3dkq h LYS 11 Ca -0.53 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 57.76 3dkq h LYS 11 Cb 1.31 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 3dkq h LYS 11 CO 0.55 0.69 -0.06 1.96 -1.08 0.00 0.00 179.45 181.51 3dkq h GLN 12 N 0.98 0.78 -0.46 3.15 7.50 -1.99 -1.31 115.11 123.76 3dkq h GLN 12 Ca 0.25 -0.28 -0.12 0.00 0.50 0.00 0.00 58.65 59.00 3dkq h GLN 12 Cb -0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3dkq h GLN 12 CO -0.04 0.89 -0.20 0.93 -1.50 0.00 0.00 178.83 178.90 3dkq h GLU 13 N 0.60 0.94 -0.82 1.46 5.08 -1.81 -2.15 114.58 117.89 3dkq h GLU 13 Ca 0.11 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3dkq h GLU 13 Cb 0.58 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3dkq h GLU 13 CO 0.03 1.07 0.54 0.28 -1.00 0.00 0.00 179.01 179.93 3dkq h VAL 14 N 0.78 1.22 -0.69 3.13 2.07 -0.84 0.10 116.25 122.02 3dkq h VAL 14 Ca 0.10 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3dkq h VAL 14 Cb 0.78 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3dkq h VAL 14 CO 0.06 0.21 0.38 -1.28 0.02 0.00 0.00 177.57 176.97 3dkq h SER 15 N 1.12 0.86 -0.48 0.57 0.87 -1.09 0.10 113.55 115.50 3dkq h SER 15 Ca 0.30 -0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.66 3dkq h SER 15 Cb -0.12 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 3dkq h SER 15 CO -0.06 0.70 -0.14 -0.74 -0.53 0.00 0.00 176.83 176.06 3dkq h HIS 16 N 0.95 1.05 -0.30 2.24 6.17 -1.05 -0.80 115.15 123.42 3dkq h HIS 16 Ca 0.24 -0.23 0.00 0.00 0.71 0.00 0.00 60.37 61.09 3dkq h HIS 16 Cb 0.03 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 3dkq h HIS 16 CO -0.01 1.02 0.19 -0.07 0.71 0.00 0.00 177.93 179.78 3dkq h LEU 17 N 0.78 0.35 -0.78 0.26 3.38 -0.42 -2.57 115.31 116.31 3dkq h LEU 17 Ca 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3dkq h LEU 17 Cb 0.70 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3dkq h LEU 17 CO 0.05 0.26 0.36 0.03 0.09 0.00 0.00 178.44 179.23 3dkq h ARG 18 N 0.40 1.14 -0.74 1.13 2.47 -0.68 0.30 114.38 118.40 3dkq h ARG 18 Ca 0.11 -0.18 0.06 0.00 -1.26 0.00 0.00 59.98 58.71 3dkq h ARG 18 Cb -0.04 -0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.03 3dkq h ARG 18 CO -0.02 0.90 0.43 1.49 0.56 0.00 0.00 179.97 183.32 3dkq h GLU 19 N 1.11 0.76 -0.03 0.04 4.81 -1.02 0.29 114.58 120.55 3dkq h GLU 19 Ca 0.27 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3dkq h GLU 19 Cb 0.15 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3dkq h GLU 19 CO -0.03 0.50 -0.06 1.96 -0.73 0.00 0.00 179.01 180.66 3dkq h GLN 20 N 0.78 0.08 -0.48 1.92 4.20 -1.10 -3.25 115.11 117.26 3dkq h GLN 20 Ca 0.33 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3dkq h GLN 20 Cb 0.19 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3dkq h GLN 20 CO -0.18 0.64 0.25 -0.07 -0.67 0.00 0.00 178.83 178.80 3dkq h LEU 21 N -0.46 0.61 -2.00 1.46 3.38 -0.71 -3.12 115.31 114.46 3dkq h LEU 21 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dkq h LEU 21 Cb 0.64 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dkq h LEU 21 CO 0.01 0.54 -0.00 0.44 0.09 0.00 0.00 178.44 179.52 3dkq h ASP 22 N 0.63 0.00 0.00 -0.43 5.19 -0.52 -2.16 116.42 119.14 3dkq h ASP 22 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3dkq h ASP 22 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3dkq h ASP 22 CO -0.03 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.10 3dkq n ALA 23 N -2.54 2.62 -2.00 3.45 0.00 -1.18 -4.86 120.51 116.00 3dkq n ALA 23 Ca -0.03 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 3dkq n ALA 23 Cb 0.09 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.22 3dkq n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dkq s ARG 24 N -2.00 2.22 -0.48 0.00 1.81 -0.81 -5.06 118.95 114.64 3dkq s ARG 24 Ca 0.35 -1.17 -0.22 0.00 -1.72 0.00 0.00 55.73 52.98 3dkq s ARG 24 Cb 0.16 -2.51 0.03 0.00 -0.45 0.00 0.00 34.95 32.19 3dkq s ARG 24 CO 0.27 -0.94 0.74 0.50 -0.68 0.00 0.00 175.30 175.19 3dkq s ARG 25 N -4.81 3.30 -0.12 3.54 3.52 -1.26 -5.04 118.95 118.07 3dkq s ARG 25 Ca 0.61 -0.36 -0.23 0.00 -0.13 0.00 0.00 55.73 55.62 3dkq s ARG 25 Cb -0.07 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 3dkq s ARG 25 CO 0.40 -1.17 0.70 -1.58 -0.81 0.00 0.00 175.30 172.84 3dkq s TRP 26 N 3.15 3.50 -0.22 5.12 0.52 -1.26 -4.52 118.94 125.23 3dkq s TRP 26 Ca 0.25 1.16 -0.04 0.00 0.02 0.00 0.00 56.10 57.49 3dkq s TRP 26 Cb -0.14 -2.83 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 3dkq s TRP 26 CO 0.19 -0.03 -0.03 0.42 0.02 0.00 0.00 176.95 177.52 3dkq s ILE 27 N 1.31 3.54 0.20 2.03 1.01 0.16 -4.88 121.20 124.57 3dkq s ILE 27 Ca 0.35 -0.44 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 3dkq s ILE 27 Cb -0.17 -2.61 -0.12 0.00 0.01 0.00 0.00 42.46 39.58 3dkq s ILE 27 CO 0.15 0.42 1.69 -1.81 0.00 0.00 0.00 174.94 175.39 3dkq s ASP 28 N 1.37 6.41 -0.11 3.58 1.01 -1.26 -2.15 116.67 125.51 3dkq s ASP 28 Ca 0.04 2.83 -0.01 0.00 0.71 0.00 0.00 52.55 56.12 3dkq s ASP 28 Cb -0.14 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.22 3dkq s ASP 28 CO -0.01 -0.95 -0.02 -0.83 0.21 0.00 0.00 175.17 173.56 3dkq s GLY 29 N 1.15 0.68 -0.08 0.21 0.00 0.57 -4.96 107.32 104.88 3dkq s GLY 29 Ca 0.74 -0.43 0.14 0.00 0.00 0.00 0.00 44.72 45.17 3dkq s GLY 29 CO 0.32 1.05 1.38 0.70 0.00 0.00 0.00 173.10 176.55 3dkq n ASN 30 N 5.04 3.59 -4.31 1.64 4.13 -1.26 -1.35 115.26 122.73 3dkq n ASN 30 Ca -0.10 -2.44 -0.32 0.00 1.68 0.00 0.00 54.58 53.40 3dkq n ASN 30 Cb 0.49 -0.40 -0.16 0.00 -1.54 0.00 0.00 39.78 38.17 3dkq n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dkq s GLN 31 N -1.79 3.08 0.11 3.52 0.00 -1.26 -4.56 119.66 118.76 3dkq s GLN 31 Ca 0.35 -0.79 -0.19 0.00 -0.00 0.00 0.00 55.36 54.73 3dkq s GLN 31 Cb 0.24 -2.43 -0.07 0.00 0.00 0.00 0.00 33.01 30.75 3dkq s GLN 31 CO 0.15 0.25 0.61 0.99 0.00 0.00 0.00 175.29 177.29 3dkq s THR 32 N 0.20 4.69 -0.21 3.63 2.01 -1.26 -5.01 115.64 119.69 3dkq s THR 32 Ca -0.11 1.23 -0.04 0.00 0.31 0.00 0.00 61.69 63.08 3dkq s THR 32 Cb -0.16 -3.90 0.11 0.00 0.01 0.00 0.00 72.50 68.55 3dkq s THR 32 CO 0.06 0.48 0.35 -0.55 -0.69 0.00 0.00 174.62 174.27 3dkq s SER 33 N -1.25 0.30 0.00 3.53 0.15 -1.26 -4.90 113.70 110.26 3dkq s SER 33 Ca 0.32 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.39 3dkq s SER 33 Cb -0.19 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 3dkq s SER 33 CO 0.20 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3dkq n GLY 34 N 5.36 1.12 0.00 9.45 0.00 -1.26 -5.09 105.19 114.77 3dkq n GLY 34 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dkq n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkq n ALA 35 N -0.90 0.00 -0.24 4.61 0.00 -1.26 0.03 120.51 122.75 3dkq n ALA 35 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3dkq n ALA 35 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3dkq n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dkq n ALA 37 N -3.00 -1.55 -1.71 0.00 0.00 -1.26 -4.75 120.51 108.24 3dkq n ALA 37 Ca 0.00 -0.32 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 3dkq n ALA 37 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.22 3dkq n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dkq n THR 38 N -0.82 0.07 -4.42 0.00 -2.24 -1.26 -4.97 114.28 100.64 3dkq n THR 38 Ca -0.00 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 3dkq n THR 38 Cb 0.18 -1.93 -0.14 0.00 -2.10 0.00 0.00 70.33 66.34 3dkq n THR 38 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3dkq s THR 39 N 1.05 0.96 -0.54 4.28 2.01 -1.26 -5.07 115.64 117.08 3dkq s THR 39 Ca 0.75 -0.72 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 3dkq s THR 39 Cb -0.53 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.17 3dkq s THR 39 CO 0.34 0.12 1.07 -0.60 -0.69 0.00 0.00 174.62 174.86 3dkq s ARG 40 N -0.68 3.49 0.02 4.92 3.00 -1.26 -4.69 118.95 123.74 3dkq s ARG 40 Ca 0.02 0.12 0.06 0.00 -1.00 0.00 0.00 55.73 54.93 3dkq s ARG 40 Cb -0.06 -4.00 -0.02 0.00 0.00 0.00 0.00 34.95 30.87 3dkq s ARG 40 CO 0.00 -1.52 -0.18 0.21 0.00 0.00 0.00 175.30 173.82 3dkq s LYS 41 N 4.41 1.29 -0.29 5.12 2.20 -1.26 -0.54 119.74 130.68 3dkq s LYS 41 Ca 0.39 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 3dkq s LYS 41 Cb -0.09 -1.31 0.18 0.00 -1.51 0.00 0.00 37.83 35.09 3dkq s LYS 41 CO 0.24 0.34 0.54 0.50 -0.36 0.00 0.00 175.35 176.62 3dkq s ARG 42 N -0.85 0.51 0.16 4.03 3.52 -0.18 -4.35 118.95 121.79 3dkq s ARG 42 Ca 0.06 0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 56.37 3dkq s ARG 42 Cb -0.08 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.56 3dkq s ARG 42 CO 0.01 -0.73 0.30 0.27 -0.81 0.00 0.00 175.30 174.34 3dkq n ASN 43 N 5.41 -0.88 -4.40 -2.12 6.94 -0.46 -0.81 115.26 118.94 3dkq n ASN 43 Ca -0.00 -1.65 -0.29 0.00 -0.02 0.00 0.00 54.58 52.62 3dkq n ASN 43 Cb 0.51 1.48 -0.13 0.00 -2.36 0.00 0.00 39.78 39.28 3dkq n ASN 43 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3dkq s GLN 44 N -2.06 1.43 0.07 -3.83 -0.21 -0.73 -0.32 119.66 114.01 3dkq s GLN 44 Ca 0.07 -1.36 -0.08 0.00 0.02 0.00 0.00 55.36 54.01 3dkq s GLN 44 Cb -0.02 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 3dkq s GLN 44 CO 0.05 0.45 0.16 -0.65 -2.12 0.00 0.00 175.29 173.17 3dkq s GLN 45 N -2.13 0.77 0.17 2.91 -0.21 -0.91 -0.42 119.66 119.83 3dkq s GLN 45 Ca 0.15 -0.92 -0.14 0.00 0.02 0.00 0.00 55.36 54.46 3dkq s GLN 45 Cb -0.10 0.31 -0.07 0.00 1.00 0.00 0.00 33.01 34.15 3dkq s GLN 45 CO 0.07 -0.23 0.57 -0.51 -2.12 0.00 0.00 175.29 173.07 3dkq s LEU 46 N -2.68 4.31 0.38 2.90 1.43 -0.89 -0.67 118.68 123.47 3dkq s LEU 46 Ca 0.03 1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 53.95 3dkq s LEU 46 Cb 0.04 -3.37 -0.11 0.00 0.03 0.00 0.00 46.19 42.78 3dkq s LEU 46 CO -0.09 0.07 1.45 -0.67 0.23 0.00 0.00 176.35 177.34 3dkq n ASP 47 N 0.66 3.58 -0.07 2.29 2.03 -1.26 -4.67 116.55 119.12 3dkq n ASP 47 Ca -0.04 1.21 0.15 0.00 0.52 0.00 0.00 54.79 56.63 3dkq n ASP 47 Cb 0.52 -1.60 0.56 0.00 -0.72 0.00 0.00 41.12 39.88 3dkq n ASP 47 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3dkq h LYS 48 N 2.79 0.28 -0.59 -0.67 2.10 -1.97 -1.76 116.57 116.76 3dkq h LYS 48 Ca -0.50 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3dkq h LYS 48 Cb 1.25 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3dkq h LYS 48 CO 0.63 0.18 0.00 -0.25 -2.00 0.00 0.00 179.45 178.02 3dkq n ASP 49 N -4.45 3.31 -4.68 7.07 8.00 -1.26 -4.55 116.55 120.00 3dkq n ASP 49 Ca 0.10 -2.11 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 3dkq n ASP 49 Cb 0.47 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3dkq n ASP 49 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dkq s ASP 50 N -0.94 6.60 0.22 -2.24 -1.08 -0.66 -4.88 116.67 113.69 3dkq s ASP 50 Ca 0.39 2.43 -0.07 0.00 -0.52 0.00 0.00 52.55 54.78 3dkq s ASP 50 Cb 0.22 -2.55 0.35 0.00 -1.46 0.00 0.00 42.92 39.48 3dkq s ASP 50 CO 0.24 -0.92 1.74 -0.65 0.52 0.00 0.00 175.17 176.10 3dkq h PRO 51 N 9.01 0.40 -0.73 4.34 0.11 -1.91 0.94 132.00 144.17 3dkq h PRO 51 Ca -0.43 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3dkq h PRO 51 Cb 1.20 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3dkq h PRO 51 CO 0.94 0.27 0.22 0.28 -0.21 0.00 0.00 178.00 179.50 3dkq h VAL 52 N 0.42 1.26 -0.42 3.15 2.07 -1.98 0.15 116.25 120.90 3dkq h VAL 52 Ca 0.35 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3dkq h VAL 52 Cb 0.48 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3dkq h VAL 52 CO -0.35 0.36 0.15 0.00 0.02 0.00 0.00 177.57 177.74 3dkq h ALA 53 N 1.11 0.55 -0.12 1.67 0.00 -1.64 -1.03 119.26 119.80 3dkq h ALA 53 Ca 0.23 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dkq h ALA 53 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3dkq h ALA 53 CO -0.01 0.18 0.06 0.28 0.00 0.00 0.00 179.25 179.76 3dkq h VAL 54 N 0.54 1.00 -0.00 0.00 2.07 -0.61 -0.33 116.25 118.92 3dkq h VAL 54 Ca 0.14 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3dkq h VAL 54 Cb 0.23 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3dkq h VAL 54 CO -0.01 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3dkq h ALA 55 N 1.06 0.00 -0.03 1.67 0.00 -0.83 -1.23 119.26 119.90 3dkq h ALA 55 Ca 0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dkq h ALA 55 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dkq h ALA 55 CO -0.03 -0.48 -0.41 -0.07 0.00 0.00 0.00 179.25 178.26 3dkq h LEU 56 N -0.04 0.06 -0.92 0.00 3.38 -1.19 -1.23 115.31 115.36 3dkq h LEU 56 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dkq h LEU 56 Cb 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3dkq h LEU 56 CO -0.00 0.46 0.59 1.23 0.09 0.00 0.00 178.44 180.81 3dkq h GLY 57 N 1.23 1.31 0.99 0.83 0.00 -0.66 -0.61 103.07 106.16 3dkq h GLY 57 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 3dkq h GLY 57 CO 0.06 0.50 -0.16 -1.61 0.00 0.00 0.00 176.54 175.33 3dkq h GLN 58 N 1.26 0.78 -0.95 4.80 5.75 -0.63 -2.91 115.11 123.22 3dkq h GLN 58 Ca 0.33 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 3dkq h GLN 58 Cb -0.11 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 3dkq h GLN 58 CO -0.07 0.95 0.62 1.96 -2.65 0.00 0.00 178.83 179.65 3dkq h GLN 59 N 0.59 1.18 -0.23 1.69 4.20 -0.92 0.79 115.11 122.42 3dkq h GLN 59 Ca 0.09 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dkq h GLN 59 Cb 0.70 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3dkq h GLN 59 CO 0.05 0.78 0.00 -0.89 -0.67 0.00 0.00 178.83 178.10 3dkq n ILE 60 N -4.42 0.00 0.00 2.54 5.41 -0.26 -1.33 119.36 121.29 3dkq n ILE 60 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 3dkq n ILE 60 Cb 0.07 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 3dkq n ILE 60 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3dkq n ASP 62 N 0.31 0.00 -0.12 4.38 8.00 0.27 -0.72 116.55 128.67 3dkq n ASP 62 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3dkq n ASP 62 Cb 0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 3dkq n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3dkq h ARG 63 N 0.00 0.64 -0.90 -1.24 9.65 -1.45 -2.37 114.38 118.72 3dkq h ARG 63 Ca 0.00 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3dkq h ARG 63 Cb 0.00 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 3dkq h ARG 63 CO 0.00 0.76 0.49 -0.07 2.80 0.00 0.00 179.97 183.95 3dkq h LEU 64 N 0.46 1.12 -1.31 3.80 3.38 -1.18 -2.64 115.31 118.94 3dkq h LEU 64 Ca 0.10 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3dkq h LEU 64 Cb 0.47 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3dkq h LEU 64 CO 0.02 0.90 -0.28 -0.07 0.09 0.00 0.00 178.44 179.10 3dkq h LEU 65 N 1.26 0.00 -0.47 1.67 3.38 -1.78 -1.70 115.31 117.66 3dkq h LEU 65 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3dkq h LEU 65 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dkq h LEU 65 CO -0.05 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3dkq n ALA 66 N -2.32 2.61 -2.65 1.53 0.00 -0.90 -4.79 120.51 114.00 3dkq n ALA 66 Ca -0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 3dkq n ALA 66 Cb 0.40 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.45 3dkq n ALA 66 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dkq s HIS 67 N -1.97 3.24 0.33 0.00 5.04 -0.64 -4.98 115.29 116.31 3dkq s HIS 67 Ca 0.39 -0.75 0.05 0.00 -1.54 0.00 0.00 55.06 53.21 3dkq s HIS 67 Cb 0.19 -2.81 0.68 0.00 0.04 0.00 0.00 32.58 30.68 3dkq s HIS 67 CO 0.32 -0.68 1.89 -1.35 -2.34 0.00 0.00 174.74 172.58 3dkq h PRO 68 N 8.67 0.83 -0.08 2.88 0.11 -1.87 -0.61 132.00 141.93 3dkq h PRO 68 Ca -0.27 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.59 3dkq h PRO 68 Cb 1.11 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3dkq h PRO 68 CO 0.79 0.55 -0.76 1.96 -0.21 0.00 0.00 178.00 180.32 3dkq h GLN 69 N 0.85 0.47 -0.14 1.05 4.20 -1.94 -0.17 115.11 119.43 3dkq h GLN 69 Ca 0.42 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3dkq h GLN 69 Cb 0.47 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3dkq h GLN 69 CO -0.19 1.03 0.05 0.35 -0.67 0.00 0.00 178.83 179.41 3dkq h PHE 70 N 0.31 0.23 -0.82 2.96 3.57 -1.71 -1.28 116.94 120.20 3dkq h PHE 70 Ca -0.04 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.45 3dkq h PHE 70 Cb 1.36 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 3dkq h PHE 70 CO 0.05 0.32 0.54 0.28 -2.23 0.00 0.00 178.31 177.28 3dkq h VAL 71 N 0.06 1.21 -0.45 1.41 2.07 -1.02 -0.53 116.25 118.99 3dkq h VAL 71 Ca 0.05 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 3dkq h VAL 71 Cb 0.20 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3dkq h VAL 71 CO -0.00 0.21 0.00 -1.28 0.02 0.00 0.00 177.57 176.52 3dkq h SER 72 N 1.11 0.78 -0.06 0.57 0.87 -0.95 0.13 113.55 116.01 3dkq h SER 72 Ca 0.30 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3dkq h SER 72 Cb -0.12 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.63 3dkq h SER 72 CO -0.06 0.90 -0.06 0.00 -0.53 0.00 0.00 176.83 177.08 3dkq h ALA 73 N 0.91 0.09 0.00 6.23 0.00 -1.02 -3.38 119.26 122.09 3dkq h ALA 73 Ca 0.13 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.56 3dkq h ALA 73 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3dkq h ALA 73 CO 0.02 -0.11 -1.62 0.00 0.00 0.00 0.00 179.25 177.54 3dkq n ALA 74 N -2.37 1.84 -3.98 0.00 0.00 -0.23 -4.89 120.51 110.87 3dkq n ALA 74 Ca -0.07 -0.68 -0.36 0.00 0.00 0.00 0.00 53.44 52.33 3dkq n ALA 74 Cb 0.29 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 18.91 3dkq n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dkq n LEU 75 N -2.87 -1.46 -4.75 0.00 4.77 0.47 -4.55 117.00 108.62 3dkq n LEU 75 Ca -0.14 -1.16 -0.41 0.00 -0.03 0.00 0.00 56.01 54.27 3dkq n LEU 75 Cb 0.91 -1.95 -0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3dkq n LEU 75 CO 0.44 0.59 1.19 -2.16 -1.33 0.00 0.00 177.39 176.12 3dkq s PRO 76 N -6.86 4.19 -0.18 3.23 0.04 -1.26 -4.45 135.00 129.71 3dkq s PRO 76 Ca 0.31 2.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.70 3dkq s PRO 76 Cb -0.15 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 3dkq s PRO 76 CO 0.93 -0.55 -0.26 -0.11 0.04 0.00 0.00 177.00 177.05 3dkq n LEU 77 N 2.39 1.47 -3.74 -3.56 7.94 0.03 -4.96 117.00 116.57 3dkq n LEU 77 Ca 0.08 0.25 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 3dkq n LEU 77 Cb 0.38 -0.60 -0.12 0.00 0.53 0.00 0.00 43.42 43.61 3dkq n LEU 77 CO 0.62 0.24 -0.09 -1.58 -1.11 0.00 0.00 177.39 175.47 3dkq s GLN 78 N -2.43 0.26 0.11 1.96 0.74 -0.88 -5.01 119.66 114.42 3dkq s GLN 78 Ca -0.26 0.50 -0.06 0.00 0.05 0.00 0.00 55.36 55.59 3dkq s GLN 78 Cb 0.09 -0.02 -0.05 0.00 1.10 0.00 0.00 33.01 34.12 3dkq s GLN 78 CO 0.34 -0.12 0.36 -0.06 -0.55 0.00 0.00 175.29 175.27 3dkq s PHE 79 N 0.90 3.51 -0.19 1.67 0.08 -1.26 -0.80 117.98 121.89 3dkq s PHE 79 Ca -0.06 0.61 -0.24 0.00 0.12 0.00 0.00 56.93 57.35 3dkq s PHE 79 Cb -0.07 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 3dkq s PHE 79 CO -0.06 0.48 0.80 -0.47 -0.10 0.00 0.00 175.22 175.87 3dkq s TYR 80 N -1.55 3.39 0.22 0.36 6.14 0.15 -4.97 117.35 121.08 3dkq s TYR 80 Ca 0.37 1.18 -0.31 0.00 0.64 0.00 0.00 57.07 58.95 3dkq s TYR 80 Cb -0.13 -2.99 -0.14 0.00 0.42 0.00 0.00 41.96 39.12 3dkq s TYR 80 CO 0.22 -0.27 1.30 -2.30 0.64 0.00 0.00 175.55 175.14 3dkq n PRO 81 N 5.41 1.71 -1.70 4.97 -0.02 -1.26 -3.93 135.00 140.18 3dkq n PRO 81 Ca 0.04 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 3dkq n PRO 81 Cb 0.49 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3dkq n PRO 81 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3dkq n PRO 82 N 1.84 2.18 -4.60 0.52 -0.02 -1.26 -4.90 135.00 128.76 3dkq n PRO 82 Ca 0.12 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 62.04 3dkq n PRO 82 Cb 0.29 -2.39 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 3dkq n PRO 82 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dkq s LEU 83 N -0.77 3.08 -0.21 2.45 1.43 0.11 -4.80 118.68 119.98 3dkq s LEU 83 Ca 0.59 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.49 3dkq s LEU 83 Cb -0.58 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3dkq s LEU 83 CO 0.58 0.32 0.09 -0.36 0.23 0.00 0.00 176.35 177.22 3dkq s PHE 84 N -0.88 3.23 0.19 0.29 0.40 -1.26 0.02 117.98 119.97 3dkq s PHE 84 Ca 0.14 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.55 3dkq s PHE 84 Cb -0.11 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 3dkq s PHE 84 CO 0.04 0.03 -0.11 0.54 0.70 0.00 0.00 175.22 176.41 3dkq s ASN 85 N 0.81 2.28 -0.03 1.36 2.20 -0.35 -2.10 114.94 119.11 3dkq s ASN 85 Ca 0.05 -1.04 -0.05 0.00 -0.94 0.00 0.00 52.86 50.88 3dkq s ASN 85 Cb -0.13 -0.09 0.01 0.00 -2.00 0.00 0.00 41.25 39.04 3dkq s ASN 85 CO 0.02 -0.26 0.12 -0.60 -2.94 0.00 0.00 177.10 173.44 3dkq s ARG 86 N -3.70 0.26 -0.08 3.55 3.52 0.44 -1.30 118.95 121.64 3dkq s ARG 86 Ca 0.21 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 3dkq s ARG 86 Cb 0.01 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 3dkq s ARG 86 CO 0.05 -0.05 -0.06 0.71 -0.81 0.00 0.00 175.30 175.15 3dkq s TYR 87 N -0.48 1.08 0.21 5.12 1.51 -0.14 -1.77 117.35 122.87 3dkq s TYR 87 Ca -0.06 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.40 3dkq s TYR 87 Cb -0.04 -0.94 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 3dkq s TYR 87 CO 0.00 -0.34 0.57 1.14 -1.11 0.00 0.00 175.55 175.81 3dkq s GLN 88 N 1.36 1.44 -1.37 -0.62 -2.07 -1.26 -1.53 119.66 115.61 3dkq s GLN 88 Ca -0.03 -0.84 -0.01 0.00 -1.82 0.00 0.00 55.36 52.66 3dkq s GLN 88 Cb -0.14 0.54 0.01 0.00 -1.09 0.00 0.00 33.01 32.34 3dkq s GLN 88 CO -0.03 -0.62 0.58 0.41 -1.32 0.00 0.00 175.29 174.31 3dkq n GLY 89 N -0.37 -0.27 2.04 2.60 0.00 -1.06 -1.87 105.19 106.26 3dkq n GLY 89 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dkq n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkq n GLY 90 N -1.76 0.95 3.77 -0.02 0.00 0.69 -5.01 105.19 103.81 3dkq n GLY 90 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 3dkq n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkq s GLU 91 N -0.32 4.22 0.18 1.61 2.02 -0.78 -4.62 118.70 121.00 3dkq s GLU 91 Ca 0.00 2.41 -0.19 0.00 0.02 0.00 0.00 54.97 57.21 3dkq s GLU 91 Cb 0.00 -3.02 0.04 0.00 0.10 0.00 0.00 34.13 31.25 3dkq s GLU 91 CO 0.00 -0.39 0.54 -0.08 0.02 0.00 0.00 175.26 175.35 3dkq s THR 92 N -1.02 0.02 -0.20 3.63 -1.32 0.01 -2.05 115.64 114.71 3dkq s THR 92 Ca 0.52 -0.56 -0.01 0.00 -1.21 0.00 0.00 61.69 60.42 3dkq s THR 92 Cb -0.44 -1.40 0.06 0.00 -1.51 0.00 0.00 72.50 69.21 3dkq s THR 92 CO 0.57 -0.11 -0.01 0.12 -2.21 0.00 0.00 174.62 172.99 3dkq s PHE 93 N -3.83 1.56 1.02 9.09 2.19 -0.54 -1.01 117.98 126.46 3dkq s PHE 93 Ca 0.06 -1.17 -0.12 0.00 0.33 0.00 0.00 56.93 56.03 3dkq s PHE 93 Cb -0.01 -1.24 0.20 0.00 -1.31 0.00 0.00 43.02 40.66 3dkq s PHE 93 CO -0.06 -0.66 1.09 0.20 1.83 0.00 0.00 175.22 177.62 3dkq s GLY 94 N 1.68 1.56 0.05 13.12 0.00 0.30 -0.28 107.32 123.76 3dkq s GLY 94 Ca -0.02 -0.35 -0.36 0.00 0.00 0.00 0.00 44.72 43.99 3dkq s GLY 94 CO -0.07 0.27 1.54 -1.72 0.00 0.00 0.00 173.10 173.12 3dkq n TYR 95 N -4.24 1.96 -3.81 1.90 4.01 -1.25 -4.52 117.16 111.21 3dkq n TYR 95 Ca 0.05 0.41 -0.05 0.00 -0.16 0.00 0.00 57.90 58.14 3dkq n TYR 95 Cb 0.57 -2.47 -0.02 0.00 -0.31 0.00 0.00 39.34 37.12 3dkq n TYR 95 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3dkq s HIS 96 N 1.43 -0.15 -0.05 -0.72 -3.43 -0.63 -4.86 115.29 106.88 3dkq s HIS 96 Ca 0.85 -0.24 0.06 0.00 -0.80 0.00 0.00 55.06 54.92 3dkq s HIS 96 Cb -0.83 0.68 -0.01 0.00 -1.43 0.00 0.00 32.58 30.99 3dkq s HIS 96 CO 0.46 -1.05 -0.23 0.42 -2.00 0.00 0.00 174.74 172.34 3dkq s ILE 97 N -3.56 1.90 0.39 -5.38 1.01 -1.26 -1.42 121.20 112.89 3dkq s ILE 97 Ca 0.12 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 3dkq s ILE 97 Cb -0.04 -1.61 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 3dkq s ILE 97 CO 0.05 0.53 1.07 -1.81 0.00 0.00 0.00 174.94 174.78 3dkq s ASP 98 N -0.17 6.77 0.36 3.58 1.01 -1.17 -4.42 116.67 122.63 3dkq s ASP 98 Ca -0.02 2.09 -0.28 0.00 0.71 0.00 0.00 52.55 55.05 3dkq s ASP 98 Cb -0.13 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 3dkq s ASP 98 CO 0.03 -0.49 1.35 0.59 0.21 0.00 0.00 175.17 176.87 3dkq n ASN 99 N 0.06 3.09 -0.09 0.27 3.02 0.10 -4.75 115.26 116.96 3dkq n ASN 99 Ca 0.04 1.21 -0.03 0.00 -0.03 0.00 0.00 54.58 55.78 3dkq n ASN 99 Cb 0.49 -1.53 0.21 0.00 -0.61 0.00 0.00 39.78 38.34 3dkq n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dkq h ALA 100 N 2.64 1.22 -3.50 5.41 0.00 -1.91 -3.43 119.26 119.70 3dkq h ALA 100 Ca -0.48 -0.22 -0.68 0.00 0.00 0.00 0.00 54.91 53.53 3dkq h ALA 100 Cb 1.27 -0.19 -0.32 0.00 0.00 0.00 0.00 17.79 18.54 3dkq h ALA 100 CO 0.63 0.52 -0.88 0.42 0.00 0.00 0.00 179.25 179.94 3dkq s ILE 101 N -5.08 2.09 0.03 0.00 1.09 -1.26 -0.20 121.20 117.87 3dkq s ILE 101 Ca -0.09 -1.02 0.06 0.00 -1.10 0.00 0.00 60.65 58.50 3dkq s ILE 101 Cb 0.15 -1.79 -0.02 0.00 -1.06 0.00 0.00 42.46 39.74 3dkq s ILE 101 CO 0.79 0.56 -0.18 -0.13 -0.10 0.00 0.00 174.94 175.89 3dkq s ARG 102 N 0.22 1.21 0.14 2.79 1.81 -0.19 -4.97 118.95 119.96 3dkq s ARG 102 Ca -0.15 -0.83 -0.20 0.00 -1.72 0.00 0.00 55.73 52.83 3dkq s ARG 102 Cb -0.17 -1.26 -0.07 0.00 -0.45 0.00 0.00 34.95 32.99 3dkq s ARG 102 CO 0.08 0.32 0.66 0.45 -0.68 0.00 0.00 175.30 176.13 3dkq s SER 103 N -1.06 7.12 0.22 0.23 0.15 -1.26 -0.24 113.70 118.85 3dkq s SER 103 Ca 0.05 1.38 0.03 0.00 0.70 0.00 0.00 55.95 58.11 3dkq s SER 103 Cb -0.08 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3dkq s SER 103 CO 0.01 0.18 0.01 0.42 1.20 0.00 0.00 173.24 175.06 3dkq s THR 104 N -1.26 0.87 0.44 6.45 -4.23 -0.66 -4.92 115.64 112.33 3dkq s THR 104 Ca 0.35 -2.01 0.14 0.00 -1.18 0.00 0.00 61.69 58.99 3dkq s THR 104 Cb -0.19 -2.31 0.33 0.00 1.34 0.00 0.00 72.50 71.66 3dkq s THR 104 CO 0.21 -0.33 1.98 -0.65 -0.54 0.00 0.00 174.62 175.30 3dkq h PRO 105 N 2.53 0.37 -1.01 3.99 0.11 -1.98 -1.90 132.00 134.11 3dkq h PRO 105 Ca -0.38 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.23 3dkq h PRO 105 Cb 1.22 -0.08 -0.28 0.00 0.11 0.00 0.00 31.00 31.97 3dkq h PRO 105 CO 0.64 0.25 0.61 -0.25 -0.21 0.00 0.00 178.00 179.03 3dkq n ASP 106 N -4.47 4.03 0.00 -2.05 8.00 -1.26 -5.24 116.55 115.56 3dkq n ASP 106 Ca 0.10 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.14 3dkq n ASP 106 Cb 0.38 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 3dkq n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dkq n GLY 107 N -0.95 0.84 3.61 0.44 0.00 -0.72 -5.19 105.19 103.23 3dkq n GLY 107 Ca 0.54 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 3dkq n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dkq s ILE 109 N 0.00 0.00 -0.17 -0.61 -4.36 0.67 -1.65 121.20 115.08 3dkq s ILE 109 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 60.65 60.21 3dkq s ILE 109 Cb 0.00 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 3dkq s ILE 109 CO 0.00 0.00 0.46 -0.60 0.24 0.00 0.00 174.94 175.04 3dkq s ARG 110 N -1.71 4.25 -1.22 0.37 3.52 -1.26 -1.02 118.95 121.87 3dkq s ARG 110 Ca 0.08 0.37 -0.16 0.00 -0.13 0.00 0.00 55.73 55.88 3dkq s ARG 110 Cb -0.01 -3.50 0.12 0.00 -1.56 0.00 0.00 34.95 30.00 3dkq s ARG 110 CO -0.05 0.02 1.55 0.95 -0.81 0.00 0.00 175.30 176.96 3dkq s THR 111 N 1.10 4.55 0.07 4.11 -4.23 0.72 -3.39 115.64 118.58 3dkq s THR 111 Ca 0.23 -2.16 -0.17 0.00 -1.18 0.00 0.00 61.69 58.41 3dkq s THR 111 Cb -0.15 -5.04 -0.11 0.00 1.34 0.00 0.00 72.50 68.54 3dkq s THR 111 CO 0.09 -1.81 1.40 0.44 -0.54 0.00 0.00 174.62 174.20 3dkq h ASP 112 N 7.58 0.56 -4.60 3.99 3.32 -1.63 -3.39 116.42 122.27 3dkq h ASP 112 Ca 0.36 -0.46 -0.24 0.00 0.02 0.00 0.00 57.03 56.71 3dkq h ASP 112 Cb 0.89 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.05 3dkq h ASP 112 CO 1.34 0.90 -0.72 -0.76 -1.72 0.00 0.00 179.24 178.28 3dkq s LEU 113 N -9.08 2.19 0.13 1.55 1.43 -0.86 -3.41 118.68 110.63 3dkq s LEU 113 Ca -0.13 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3dkq s LEU 113 Cb 0.07 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 3dkq s LEU 113 CO 0.79 -0.18 -0.00 -0.44 0.23 0.00 0.00 176.35 176.75 3dkq s SER 114 N -1.14 4.87 -0.08 2.29 0.01 0.23 -0.91 113.70 118.97 3dkq s SER 114 Ca -0.09 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.74 3dkq s SER 114 Cb -0.08 -1.09 0.03 0.00 0.21 0.00 0.00 66.02 65.09 3dkq s SER 114 CO -0.00 0.13 0.32 0.00 0.41 0.00 0.00 173.24 174.09 3dkq s ALA 115 N -1.52 -0.79 -0.09 1.44 0.00 -1.26 -0.83 121.76 118.72 3dkq s ALA 115 Ca 0.26 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.89 3dkq s ALA 115 Cb -0.10 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3dkq s ALA 115 CO 0.18 -0.20 -0.11 0.99 0.00 0.00 0.00 175.76 176.62 3dkq s THR 116 N -0.47 1.16 -0.28 0.00 2.01 -0.84 -4.34 115.64 112.88 3dkq s THR 116 Ca -0.06 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 3dkq s THR 116 Cb -0.04 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 3dkq s THR 116 CO 0.02 0.37 0.19 -0.22 -0.69 0.00 0.00 174.62 174.29 3dkq s LEU 117 N 1.09 4.03 -0.04 4.42 2.96 0.74 -1.51 118.68 130.38 3dkq s LEU 117 Ca -0.06 -0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 3dkq s LEU 117 Cb -0.14 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 3dkq s LEU 117 CO -0.02 -0.07 1.00 -0.36 -1.32 0.00 0.00 176.35 175.59 3dkq s PHE 118 N 1.75 3.59 -0.04 5.38 0.40 -0.55 -1.51 117.98 126.99 3dkq s PHE 118 Ca 0.07 1.64 0.04 0.00 -0.60 0.00 0.00 56.93 58.08 3dkq s PHE 118 Cb -0.16 -3.16 0.06 0.00 0.51 0.00 0.00 43.02 40.27 3dkq s PHE 118 CO 0.10 -0.16 1.03 1.28 0.70 0.00 0.00 175.22 178.17 3dkq n LEU 119 N 4.32 2.09 -4.12 -0.37 4.77 -0.15 0.10 117.00 123.63 3dkq n LEU 119 Ca 0.07 -2.23 -0.17 0.00 -0.03 0.00 0.00 56.01 53.66 3dkq n LEU 119 Cb 0.50 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 3dkq n LEU 119 CO 0.52 0.55 -0.44 -0.44 -1.33 0.00 0.00 177.39 176.25 3dkq s SER 120 N -1.39 1.37 0.24 -1.43 0.01 -1.15 -4.70 113.70 106.66 3dkq s SER 120 Ca 0.07 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 3dkq s SER 120 Cb 0.06 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.16 3dkq s SER 120 CO 0.01 -0.08 1.18 -1.61 0.41 0.00 0.00 173.24 173.15 3dkq s GLU 121 N -1.43 4.53 0.51 12.44 0.41 -1.26 -3.85 118.70 130.04 3dkq s GLU 121 Ca -0.03 1.89 0.18 0.00 -0.41 0.00 0.00 54.97 56.61 3dkq s GLU 121 Cb -0.09 -3.20 1.29 0.00 -1.78 0.00 0.00 34.13 30.35 3dkq s GLU 121 CO 0.01 0.01 2.12 -1.00 -0.49 0.00 0.00 175.26 175.91 3dkq h PRO 122 N 4.45 0.00 0.00 0.39 0.13 -1.91 -1.21 132.00 133.85 3dkq h PRO 122 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3dkq h PRO 122 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3dkq h PRO 122 CO 0.70 0.06 -0.29 0.93 -0.23 0.00 0.00 178.00 179.18 3dkq h GLU 123 N 0.00 0.00 -0.08 0.86 3.07 -1.95 -3.24 114.58 113.24 3dkq h GLU 123 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dkq h GLU 123 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3dkq h GLU 123 CO 0.01 0.29 0.00 0.09 -1.40 0.00 0.00 179.01 177.99 3dkq n ASN 124 N -3.69 0.63 -3.84 1.42 3.02 -0.46 -4.81 115.26 107.53 3dkq n ASN 124 Ca -0.01 -1.70 -0.12 0.00 -0.03 0.00 0.00 54.58 52.72 3dkq n ASN 124 Cb 0.40 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 3dkq n ASN 124 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3dkq s TYR 125 N -1.89 -0.02 -0.19 3.10 1.13 -1.22 -4.01 117.35 114.24 3dkq s TYR 125 Ca 0.22 -0.02 -0.08 0.00 -1.41 0.00 0.00 57.07 55.77 3dkq s TYR 125 Cb 0.11 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.92 3dkq s TYR 125 CO 0.17 -0.32 0.09 -1.14 -2.51 0.00 0.00 175.55 171.83 3dkq s GLN 126 N -1.41 4.03 2.12 -3.49 0.74 -0.39 -4.94 119.66 116.31 3dkq s GLN 126 Ca -0.14 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 54.96 3dkq s GLN 126 Cb -0.07 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.75 3dkq s GLN 126 CO 0.02 0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3dkq n GLY 127 N 3.63 -0.73 2.45 2.59 0.00 -1.26 -1.11 105.19 110.76 3dkq n GLY 127 Ca -0.16 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 3dkq n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dkq n GLY 128 N 0.00 -0.05 3.74 -0.02 0.00 -0.79 -4.83 105.19 103.24 3dkq n GLY 128 Ca 0.00 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 3dkq n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkq s GLU 129 N -5.11 4.45 -0.54 1.61 2.02 -1.26 -4.73 118.70 115.14 3dkq s GLU 129 Ca 0.15 0.98 -0.26 0.00 0.02 0.00 0.00 54.97 55.86 3dkq s GLU 129 Cb -0.07 -3.38 0.04 0.00 0.10 0.00 0.00 34.13 30.82 3dkq s GLU 129 CO 0.18 0.24 1.01 -1.17 0.02 0.00 0.00 175.26 175.54 3dkq s LEU 130 N 0.14 3.90 -0.34 1.80 2.96 -0.25 -1.39 118.68 125.52 3dkq s LEU 130 Ca 0.37 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 3dkq s LEU 130 Cb -0.19 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 3dkq s LEU 130 CO 0.21 -1.25 0.28 -0.69 -1.32 0.00 0.00 176.35 173.58 3dkq s VAL 131 N 4.18 5.25 -0.18 1.68 1.01 -0.27 -0.23 120.40 131.84 3dkq s VAL 131 Ca 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3dkq s VAL 131 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3dkq s VAL 131 CO 0.23 -0.02 -0.14 -0.63 0.00 0.00 0.00 175.10 174.54 3dkq s ILE 132 N 1.83 2.66 -0.02 2.22 1.01 0.53 -2.02 121.20 127.41 3dkq s ILE 132 Ca 0.08 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3dkq s ILE 132 Cb -0.17 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3dkq s ILE 132 CO 0.11 0.50 -0.19 -1.58 0.00 0.00 0.00 174.94 173.78 3dkq s GLN 133 N 1.10 1.64 0.02 2.79 0.74 0.73 -0.84 119.66 125.84 3dkq s GLN 133 Ca 0.00 -0.68 -0.00 0.00 0.05 0.00 0.00 55.36 54.73 3dkq s GLN 133 Cb -0.14 -1.54 0.00 0.00 1.10 0.00 0.00 33.01 32.42 3dkq s GLN 133 CO -0.04 0.38 0.03 -0.40 -0.55 0.00 0.00 175.29 174.71 3dkq n ASP 134 N 2.72 -0.08 -0.25 6.67 5.68 0.03 -1.13 116.55 130.19 3dkq n ASP 134 Ca -0.16 -1.12 -0.01 0.00 -0.50 0.00 0.00 54.79 53.00 3dkq n ASP 134 Cb 0.53 0.16 0.10 0.00 -1.14 0.00 0.00 41.12 40.77 3dkq n ASP 134 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dkq h THR 135 N 1.06 1.01 -0.66 2.12 1.03 -2.00 -3.12 112.91 112.36 3dkq h THR 135 Ca -0.02 -0.27 -0.39 0.00 -0.01 0.00 0.00 66.41 65.72 3dkq h THR 135 Cb 0.07 0.15 -0.20 0.00 -1.07 0.00 0.00 68.15 67.11 3dkq h THR 135 CO 0.02 0.15 0.50 -1.22 -0.01 0.00 0.00 175.52 174.96 3dkq n TYR 136 N -4.72 2.07 0.00 0.00 4.01 -1.26 -5.02 117.16 112.24 3dkq n TYR 136 Ca 0.09 -1.85 0.00 0.00 -0.16 0.00 0.00 57.90 55.98 3dkq n TYR 136 Cb 0.16 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 3dkq n TYR 136 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dkq n GLY 137 N -0.34 0.06 3.10 2.72 0.00 -1.18 -5.03 105.19 104.52 3dkq n GLY 137 Ca 0.40 -2.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 3dkq n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dkq s GLN 138 N 0.00 0.27 -0.02 1.61 0.74 -1.26 -0.79 119.66 120.21 3dkq s GLN 138 Ca 0.00 0.22 -0.03 0.00 0.05 0.00 0.00 55.36 55.60 3dkq s GLN 138 Cb 0.00 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.24 3dkq s GLN 138 CO 0.00 -0.04 0.08 -0.65 -0.55 0.00 0.00 175.29 174.13 3dkq s GLN 139 N -0.04 0.17 -0.21 1.67 -0.21 -0.02 -5.00 119.66 116.01 3dkq s GLN 139 Ca -0.01 -0.03 -0.06 0.00 0.02 0.00 0.00 55.36 55.27 3dkq s GLN 139 Cb -0.02 0.07 -0.03 0.00 1.00 0.00 0.00 33.01 34.03 3dkq s GLN 139 CO 0.00 -0.03 0.03 -1.12 -2.12 0.00 0.00 175.29 172.06 3dkq s SER 140 N -0.30 5.07 -0.10 5.90 0.01 -1.26 -0.34 113.70 122.67 3dkq s SER 140 Ca -0.04 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.09 3dkq s SER 140 Cb -0.03 -1.88 0.01 0.00 0.21 0.00 0.00 66.02 64.34 3dkq s SER 140 CO 0.00 0.05 -0.15 -0.63 0.41 0.00 0.00 173.24 172.92 3dkq s ILE 141 N 1.10 1.47 -0.24 1.44 -1.09 0.68 -4.93 121.20 119.64 3dkq s ILE 141 Ca 0.03 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 3dkq s ILE 141 Cb -0.14 -1.34 0.09 0.00 -1.58 0.00 0.00 42.46 39.49 3dkq s ILE 141 CO 0.02 0.43 0.15 -0.54 -1.23 0.00 0.00 174.94 173.78 3dkq s LYS 142 N 0.89 0.16 0.27 2.79 1.02 -1.26 -1.08 119.74 122.53 3dkq s LYS 142 Ca -0.09 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.76 3dkq s LYS 142 Cb -0.15 -1.32 -0.03 0.00 -0.52 0.00 0.00 37.83 35.81 3dkq s LYS 142 CO 0.00 -0.85 0.31 -0.51 -0.92 0.00 0.00 175.35 173.39 3dkq s LEU 143 N 2.18 4.01 0.42 3.17 1.43 -1.26 -4.89 118.68 123.74 3dkq s LEU 143 Ca 0.06 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 3dkq s LEU 143 Cb -0.16 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.36 3dkq s LEU 143 CO -0.23 -0.15 0.81 -1.20 0.23 0.00 0.00 176.35 175.81 3dkq n SER 144 N -1.36 0.31 -4.68 2.29 7.64 -1.26 -4.20 113.62 112.35 3dkq n SER 144 Ca -0.06 0.98 -0.45 0.00 1.01 0.00 0.00 58.87 60.34 3dkq n SER 144 Cb 0.58 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.49 3dkq n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dkq n ALA 145 N -0.69 1.64 -0.09 -0.43 0.00 -1.25 -1.43 120.51 118.27 3dkq n ALA 145 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3dkq n ALA 145 Cb 0.39 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3dkq n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dkq n GLY 146 N 3.65 0.93 3.91 0.00 0.00 0.11 -4.80 105.19 108.99 3dkq n GLY 146 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3dkq n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dkq s SER 147 N -2.76 6.39 0.03 1.61 0.01 -0.51 -0.46 113.70 118.00 3dkq s SER 147 Ca 0.00 0.69 0.07 0.00 1.31 0.00 0.00 55.95 58.02 3dkq s SER 147 Cb 0.00 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 3dkq s SER 147 CO 0.00 -0.27 -0.20 -0.22 0.41 0.00 0.00 173.24 172.95 3dkq s LEU 148 N -3.90 2.14 -0.09 2.44 2.96 -0.30 -1.48 118.68 120.45 3dkq s LEU 148 Ca 0.44 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3dkq s LEU 148 Cb -0.10 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3dkq s LEU 148 CO 0.33 0.17 -0.14 0.54 -1.32 0.00 0.00 176.35 175.93 3dkq s VAL 149 N -0.74 3.00 -0.12 1.68 0.11 -0.57 -0.08 120.40 123.69 3dkq s VAL 149 Ca 0.07 -0.71 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 3dkq s VAL 149 Cb -0.09 -2.21 0.01 0.00 -1.53 0.00 0.00 36.38 32.56 3dkq s VAL 149 CO 0.01 0.56 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.90 3dkq s LEU 150 N -0.19 2.07 0.07 2.54 2.96 0.22 -1.98 118.68 124.37 3dkq s LEU 150 Ca -0.00 -0.56 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 3dkq s LEU 150 Cb -0.13 -1.39 0.03 0.00 0.50 0.00 0.00 46.19 45.19 3dkq s LEU 150 CO 0.03 0.12 0.35 -0.72 -1.32 0.00 0.00 176.35 174.81 3dkq s TYR 151 N 0.57 -0.15 0.32 5.38 1.13 -0.01 -1.23 117.35 123.36 3dkq s TYR 151 Ca -0.14 -0.05 -0.29 0.00 -1.41 0.00 0.00 57.07 55.19 3dkq s TYR 151 Cb -0.17 0.16 -0.11 0.00 -1.10 0.00 0.00 41.96 40.74 3dkq s TYR 151 CO 0.04 -0.58 1.42 -2.14 -2.51 0.00 0.00 175.55 171.78 3dkq s PRO 152 N -3.04 4.24 0.29 -3.49 0.02 -1.26 0.78 135.00 132.54 3dkq s PRO 152 Ca -0.02 2.37 0.25 0.00 0.02 0.00 0.00 61.00 63.63 3dkq s PRO 152 Cb 0.01 -3.05 0.97 0.00 0.02 0.00 0.00 34.50 32.44 3dkq s PRO 152 CO -0.06 -0.39 1.76 0.77 -0.33 0.00 0.00 177.00 178.74 3dkq h SER 153 N 3.92 0.00 0.99 2.53 0.02 -1.74 -2.88 113.55 116.38 3dkq h SER 153 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3dkq h SER 153 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3dkq h SER 153 CO 0.70 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.16 3dkq h SER 154 N 0.00 0.00 -4.07 3.07 4.64 -1.85 -3.09 113.55 112.25 3dkq h SER 154 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3dkq h SER 154 Cb 0.49 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.72 3dkq h SER 154 CO 0.00 0.00 0.59 -0.44 -0.87 0.00 0.00 176.83 176.11 3dkq s SER 155 N -5.21 5.08 -0.15 4.97 0.01 -1.09 -4.86 113.70 112.45 3dkq s SER 155 Ca 0.03 2.74 -0.26 0.00 1.31 0.00 0.00 55.95 59.77 3dkq s SER 155 Cb 0.09 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 3dkq s SER 155 CO 0.50 -1.70 0.86 -0.22 0.41 0.00 0.00 173.24 173.09 3dkq s LEU 156 N -3.75 4.20 0.14 2.44 2.96 -0.28 -4.48 118.68 119.91 3dkq s LEU 156 Ca 0.75 1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 55.76 3dkq s LEU 156 Cb -0.40 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.03 3dkq s LEU 156 CO 0.46 -0.39 0.40 -1.38 -1.32 0.00 0.00 176.35 174.12 3dkq s HIS 157 N 2.01 -0.11 0.16 5.38 -3.43 -0.51 -0.19 115.29 118.61 3dkq s HIS 157 Ca 0.40 -0.23 -0.13 0.00 -0.80 0.00 0.00 55.06 54.30 3dkq s HIS 157 Cb -0.17 0.23 0.01 0.00 -1.43 0.00 0.00 32.58 31.22 3dkq s HIS 157 CO 0.14 -0.73 0.39 1.14 -2.00 0.00 0.00 174.74 173.67 3dkq s GLN 158 N -3.84 1.20 -0.26 -0.38 -2.07 -0.86 -1.60 119.66 111.86 3dkq s GLN 158 Ca 0.06 -0.96 -0.01 0.00 -1.82 0.00 0.00 55.36 52.63 3dkq s GLN 158 Cb 0.02 0.44 0.03 0.00 -1.09 0.00 0.00 33.01 32.41 3dkq s GLN 158 CO -0.09 -0.47 -0.06 0.08 -1.32 0.00 0.00 175.29 173.43 3dkq s VAL 159 N -3.89 2.81 0.67 3.63 1.01 0.62 -1.11 120.40 124.14 3dkq s VAL 159 Ca 0.11 -1.15 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 3dkq s VAL 159 Cb 0.02 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3dkq s VAL 159 CO -0.04 0.12 1.12 0.42 0.00 0.00 0.00 175.10 176.73 3dkq s THR 160 N 1.29 3.10 0.31 3.92 -4.23 -0.48 -1.46 115.64 118.08 3dkq s THR 160 Ca -0.02 0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 60.71 3dkq s THR 160 Cb -0.17 -3.03 -0.12 0.00 1.34 0.00 0.00 72.50 70.51 3dkq s THR 160 CO -0.04 -0.31 1.38 -2.65 -0.54 0.00 0.00 174.62 172.45 3dkq n PRO 161 N -2.48 2.22 -3.23 3.99 -0.02 -1.26 -1.88 135.00 132.34 3dkq n PRO 161 Ca 0.11 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3dkq n PRO 161 Cb 0.52 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 3dkq n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dkq s VAL 162 N -0.67 5.01 -0.26 -1.45 1.01 -0.87 -2.45 120.40 120.71 3dkq s VAL 162 Ca 0.60 0.39 0.22 0.00 0.00 0.00 0.00 61.98 63.18 3dkq s VAL 162 Cb -0.57 -3.97 -0.30 0.00 0.00 0.00 0.00 36.38 31.54 3dkq s VAL 162 CO 0.57 -0.21 0.60 0.18 0.00 0.00 0.00 175.10 176.24 3dkq n LEU 163 N 5.76 0.25 -3.79 3.92 4.77 -0.27 -0.22 117.00 127.42 3dkq n LEU 163 Ca -0.04 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3dkq n LEU 163 Cb 0.49 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3dkq n LEU 163 CO 0.45 0.05 -0.06 -0.55 -1.33 0.00 0.00 177.39 175.95 3dkq s SER 164 N -4.20 -0.19 0.48 -1.43 0.15 -1.25 -4.69 113.70 102.58 3dkq s SER 164 Ca -0.04 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.86 3dkq s SER 164 Cb 0.14 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3dkq s SER 164 CO 0.90 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.69 3dkq n GLY 165 N 2.14 -0.32 3.03 9.45 0.00 -1.26 -1.26 105.19 116.97 3dkq n GLY 165 Ca -0.17 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 3dkq n GLY 165 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dkq s GLU 166 N 0.00 0.24 -0.30 1.61 4.04 -1.26 -4.42 118.70 118.62 3dkq s GLU 166 Ca 0.00 -0.01 -0.03 0.00 0.04 0.00 0.00 54.97 54.97 3dkq s GLU 166 Cb 0.00 0.11 0.04 0.00 0.02 0.00 0.00 34.13 34.29 3dkq s GLU 166 CO 0.00 -0.04 0.02 0.50 -1.84 0.00 0.00 175.26 173.89 3dkq s ARG 167 N -0.38 2.63 -0.10 -4.83 3.52 -0.58 -4.68 118.95 114.53 3dkq s ARG 167 Ca -0.05 -1.14 -0.02 0.00 -0.13 0.00 0.00 55.73 54.39 3dkq s ARG 167 Cb -0.03 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3dkq s ARG 167 CO 0.00 -0.56 -0.01 0.99 -0.81 0.00 0.00 175.30 174.91 3dkq s THR 168 N 1.33 4.19 0.19 4.11 2.01 -1.26 -0.97 115.64 125.23 3dkq s THR 168 Ca -0.03 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 3dkq s THR 168 Cb -0.19 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.57 3dkq s THR 168 CO -0.01 0.58 0.47 0.00 -0.69 0.00 0.00 174.62 174.97 3dkq s ALA 169 N -0.60 -0.76 -0.13 7.40 0.00 -0.42 -0.98 121.76 126.27 3dkq s ALA 169 Ca 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3dkq s ALA 169 Cb -0.12 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 3dkq s ALA 169 CO 0.02 -0.77 -0.13 0.00 0.00 0.00 0.00 175.76 174.89 3dkq s ALA 170 N -3.89 2.63 0.32 0.00 0.00 -0.57 -1.21 121.76 119.04 3dkq s ALA 170 Ca 0.10 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.27 3dkq s ALA 170 Cb -0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 3dkq s ALA 170 CO -0.03 0.27 -0.12 0.12 0.00 0.00 0.00 175.76 176.00 3dkq s PHE 171 N 0.29 2.30 0.17 0.00 5.36 0.10 -0.19 117.98 126.01 3dkq s PHE 171 Ca -0.10 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 55.42 3dkq s PHE 171 Cb -0.16 -1.23 -0.05 0.00 -0.34 0.00 0.00 43.02 41.25 3dkq s PHE 171 CO 0.05 0.58 -0.03 -1.58 -1.46 0.00 0.00 175.22 172.78 3dkq s TRP 173 N -2.64 1.25 -0.02 10.12 0.51 -1.25 -0.72 118.94 126.19 3dkq s TRP 173 Ca 0.31 -0.93 -0.16 0.00 -2.12 0.00 0.00 56.10 53.20 3dkq s TRP 173 Cb 0.01 -0.70 0.03 0.00 -0.81 0.00 0.00 33.47 31.99 3dkq s TRP 173 CO 0.15 -0.10 0.35 -0.48 -0.51 0.00 0.00 176.95 176.36 3dkq s LEU 174 N -3.18 0.70 -0.20 2.99 0.05 -0.08 -0.68 118.68 118.27 3dkq s LEU 174 Ca 0.22 0.16 -0.13 0.00 0.05 0.00 0.00 54.13 54.43 3dkq s LEU 174 Cb 0.05 1.39 -0.05 0.00 -2.05 0.00 0.00 46.19 45.54 3dkq s LEU 174 CO 0.03 -0.46 0.27 -1.58 -0.55 0.00 0.00 176.35 174.07 3dkq s GLN 175 N -1.27 4.17 0.00 1.48 0.74 0.02 -1.70 119.66 123.09 3dkq s GLN 175 Ca -0.13 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.27 3dkq s GLN 175 Cb -0.05 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3dkq s GLN 175 CO 0.05 0.10 0.00 0.45 -0.55 0.00 0.00 175.29 175.34 3dkq n SER 176 N 4.08 0.00 0.00 6.67 2.88 -1.26 -0.79 113.62 125.20 3dkq n SER 176 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 3dkq n SER 176 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3dkq n SER 176 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3dkq n VAL 178 N 0.00 0.00 0.05 2.46 0.31 -1.26 -4.61 118.33 115.27 3dkq n VAL 178 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3dkq n VAL 178 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 3dkq n VAL 178 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3dkq h ARG 179 N 0.00 -0.11 -6.41 5.55 2.43 -1.95 -3.44 114.38 110.46 3dkq h ARG 179 Ca 0.00 0.01 -0.54 0.00 -0.81 0.00 0.00 59.98 58.64 3dkq h ARG 179 Cb 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3dkq h ARG 179 CO 0.00 0.20 0.59 0.34 -1.51 0.00 0.00 179.97 179.59 3dkq s ASP 180 N -5.38 7.10 0.18 -3.80 2.15 -1.26 -4.96 116.67 110.70 3dkq s ASP 180 Ca -0.15 1.89 -0.12 0.00 0.43 0.00 0.00 52.55 54.61 3dkq s ASP 180 Cb 0.03 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 40.16 3dkq s ASP 180 CO 0.64 -0.49 1.74 -0.08 -0.17 0.00 0.00 175.17 176.81 3dkq h GLU 181 N 7.06 0.91 -0.28 4.34 4.81 -1.99 -1.98 114.58 127.45 3dkq h GLU 181 Ca -0.39 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 58.72 3dkq h GLU 181 Cb 1.19 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 3dkq h GLU 181 CO 0.83 0.76 0.06 0.78 -0.73 0.00 0.00 179.01 180.71 3dkq h GLY 182 N 0.85 0.31 0.92 1.92 0.00 -1.99 -0.97 103.07 104.11 3dkq h GLY 182 Ca 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.53 3dkq h GLY 182 CO -0.02 -0.01 0.41 1.46 0.00 0.00 0.00 176.54 178.39 3dkq h GLN 183 N 0.16 0.80 -0.55 4.80 4.20 -1.94 -2.11 115.11 120.46 3dkq h GLN 183 Ca 0.13 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3dkq h GLN 183 Cb 0.13 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3dkq h GLN 183 CO -0.17 0.53 0.04 -0.09 -0.67 0.00 0.00 178.83 178.47 3dkq h ARG 184 N 0.82 0.92 -0.25 1.46 2.43 -1.01 -1.57 114.38 117.18 3dkq h ARG 184 Ca 0.25 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 3dkq h ARG 184 Cb -0.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3dkq h ARG 184 CO -0.09 0.89 -0.41 0.00 -1.51 0.00 0.00 179.97 178.85 3dkq h ARG 185 N 0.86 0.59 -0.58 0.20 3.08 -1.04 -1.57 114.38 115.93 3dkq h ARG 185 Ca 0.17 -0.31 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 3dkq h ARG 185 Cb 0.45 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3dkq h ARG 185 CO 0.02 0.90 -0.01 1.25 -1.07 0.00 0.00 179.97 181.05 3dkq h LEU 186 N 0.49 1.01 -0.28 3.04 6.46 -1.12 -0.96 115.31 123.94 3dkq h LEU 186 Ca 0.04 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 3dkq h LEU 186 Cb 0.93 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 3dkq h LEU 186 CO 0.08 1.08 0.12 -0.07 -0.62 0.00 0.00 178.44 179.03 3dkq h LEU 187 N 0.92 0.39 -0.51 2.25 3.38 -1.18 -1.23 115.31 119.33 3dkq h LEU 187 Ca 0.16 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3dkq h LEU 187 Cb 0.57 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3dkq h LEU 187 CO 0.03 0.44 0.29 0.15 0.09 0.00 0.00 178.44 179.44 3dkq h PHE 188 N 0.31 0.54 -0.37 1.13 3.57 -1.12 -0.50 116.94 120.50 3dkq h PHE 188 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3dkq h PHE 188 Cb 0.17 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3dkq h PHE 188 CO -0.01 0.29 0.22 0.37 -2.23 0.00 0.00 178.31 176.95 3dkq h GLN 189 N 0.57 0.51 0.05 1.11 5.75 -1.05 0.49 115.11 122.55 3dkq h GLN 189 Ca 0.21 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3dkq h GLN 189 Cb 0.06 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.51 3dkq h GLN 189 CO -0.11 0.40 -0.03 1.25 -2.65 0.00 0.00 178.83 177.69 3dkq h LEU 190 N 0.48 -0.06 -0.05 -2.39 5.85 -1.01 -1.98 115.31 116.16 3dkq h LEU 190 Ca 0.13 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3dkq h LEU 190 Cb 0.02 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3dkq h LEU 190 CO -0.02 0.01 -0.17 -0.78 -0.34 0.00 0.00 178.44 177.14 3dkq h ASP 191 N -0.13 -0.50 -0.91 1.25 3.58 -0.90 -1.67 116.42 117.14 3dkq h ASP 191 Ca -0.01 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.55 3dkq h ASP 191 Cb 0.11 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 3dkq h ASP 191 CO 0.01 -0.22 0.60 1.56 -2.88 0.00 0.00 179.24 178.31 3dkq h GLN 192 N -0.25 1.13 -0.69 0.28 1.08 -0.85 -1.24 115.11 114.57 3dkq h GLN 192 Ca 0.07 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 3dkq h GLN 192 Cb 0.34 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 3dkq h GLN 192 CO -0.19 0.75 0.18 0.77 -0.95 0.00 0.00 178.83 179.38 3dkq h SER 193 N 1.16 1.03 -0.67 1.46 0.02 -0.96 -1.11 113.55 114.49 3dkq h SER 193 Ca 0.36 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3dkq h SER 193 Cb -0.01 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 3dkq h SER 193 CO -0.10 0.98 0.23 0.40 -1.14 0.00 0.00 176.83 177.20 3dkq h ILE 194 N 1.04 1.25 -0.69 3.27 2.04 -0.39 -0.59 117.51 123.45 3dkq h ILE 194 Ca 0.22 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 3dkq h ILE 194 Cb 0.35 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3dkq h ILE 194 CO -0.00 0.32 0.21 1.56 0.00 0.00 0.00 178.15 180.24 3dkq h GLN 195 N 0.97 1.08 -0.39 2.37 1.08 -1.04 -0.31 115.11 118.87 3dkq h GLN 195 Ca 0.22 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3dkq h GLN 195 Cb 0.26 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3dkq h GLN 195 CO -0.01 0.93 0.00 0.77 -0.95 0.00 0.00 178.83 179.57 3dkq h SER 196 N 1.01 0.68 0.28 1.46 0.02 -0.99 -1.16 113.55 114.84 3dkq h SER 196 Ca 0.22 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 3dkq h SER 196 Cb 0.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3dkq h SER 196 CO -0.01 0.82 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.22 3dkq h LEU 197 N 0.52 0.00 0.18 5.07 3.38 -0.98 0.35 115.31 123.83 3dkq h LEU 197 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3dkq h LEU 197 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dkq h LEU 197 CO 0.02 0.22 -0.09 0.74 0.09 0.00 0.00 178.44 179.42 3dkq h THR 198 N 0.00 0.89 -0.99 0.22 2.02 -0.83 0.24 112.91 114.46 3dkq h THR 198 Ca -0.00 -0.97 0.13 0.00 0.77 0.00 0.00 66.41 66.34 3dkq h THR 198 Cb 0.41 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 68.15 3dkq h THR 198 CO 0.03 0.20 0.62 0.00 0.37 0.00 0.00 175.52 176.74 3dkq h ALA 199 N -0.14 1.58 0.00 6.16 0.00 -1.07 0.11 119.26 125.90 3dkq h ALA 199 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dkq h ALA 199 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dkq h ALA 199 CO 0.04 0.16 0.00 1.04 0.00 0.00 0.00 179.25 180.49 3dkq n GLN 200 N -4.62 0.65 -3.15 0.00 6.02 0.10 -4.92 117.38 111.46 3dkq n GLN 200 Ca 0.19 0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 57.06 3dkq n GLN 200 Cb 0.39 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.22 3dkq n GLN 200 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3dkq n THR 201 N -1.08 -4.34 -1.44 5.09 -1.04 0.38 -5.01 114.28 106.85 3dkq n THR 201 Ca 0.17 -0.33 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 3dkq n THR 201 Cb 0.11 -4.30 0.09 0.00 -1.82 0.00 0.00 70.33 64.41 3dkq n THR 201 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dkq s ALA 202 N -3.28 2.22 -0.09 2.41 0.00 0.05 -4.94 121.76 118.14 3dkq s ALA 202 Ca 0.07 -0.02 -0.36 0.00 0.00 0.00 0.00 51.96 51.64 3dkq s ALA 202 Cb -0.03 -3.17 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 3dkq s ALA 202 CO 0.57 -1.73 1.73 0.00 0.00 0.00 0.00 175.76 176.33 3dkq n ALA 203 N -3.46 0.44 -0.03 0.00 0.00 -1.26 -4.85 120.51 111.34 3dkq n ALA 203 Ca 0.07 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.99 3dkq n ALA 203 Cb 0.55 -2.35 0.52 0.00 0.00 0.00 0.00 19.45 18.17 3dkq n ALA 203 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dkq h GLU 204 N 7.60 0.34 -0.54 0.00 4.57 -1.99 -1.30 114.58 123.27 3dkq h GLU 204 Ca -0.47 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 57.62 3dkq h GLU 204 Cb 1.29 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 3dkq h GLU 204 CO 0.92 0.23 0.07 0.37 -1.18 0.00 0.00 179.01 179.42 3dkq h GLN 205 N 0.35 0.87 -0.17 1.92 5.75 -1.99 -0.28 115.11 121.57 3dkq h GLN 205 Ca 0.23 -0.21 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 3dkq h GLN 205 Cb 0.44 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.88 3dkq h GLN 205 CO -0.05 0.82 -0.45 0.93 -2.65 0.00 0.00 178.83 177.43 3dkq h GLU 206 N 0.83 0.60 -0.26 1.69 4.39 -1.64 -0.54 114.58 119.65 3dkq h GLU 206 Ca 0.17 -0.42 0.03 0.00 0.34 0.00 0.00 59.36 59.47 3dkq h GLU 206 Cb 0.39 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 3dkq h GLU 206 CO 0.01 1.04 0.10 -0.07 -1.16 0.00 0.00 179.01 178.93 3dkq h LEU 207 N 0.27 0.12 -0.28 1.33 3.38 -1.28 -0.58 115.31 118.25 3dkq h LEU 207 Ca -0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3dkq h LEU 207 Cb 1.06 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3dkq h LEU 207 CO 0.10 0.10 0.03 0.15 0.09 0.00 0.00 178.44 178.91 3dkq h PHE 208 N 0.22 0.04 -0.62 1.13 3.57 -0.99 -0.90 116.94 119.40 3dkq h PHE 208 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3dkq h PHE 208 Cb 0.07 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3dkq h PHE 208 CO -0.12 -0.01 0.23 -0.91 -2.23 0.00 0.00 178.31 175.27 3dkq h ASN 209 N 0.12 0.86 -0.65 0.41 2.35 -0.83 -1.51 115.58 116.33 3dkq h ASN 209 Ca 0.13 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3dkq h ASN 209 Cb 0.16 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3dkq h ASN 209 CO -0.20 0.81 0.08 -0.07 -1.65 0.00 0.00 177.43 176.40 3dkq h LEU 210 N 0.86 1.06 -0.94 1.61 3.38 -0.96 -1.93 115.31 118.39 3dkq h LEU 210 Ca 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dkq h LEU 210 Cb 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3dkq h LEU 210 CO -0.01 1.06 0.52 0.28 0.09 0.00 0.00 178.44 180.38 3dkq h SER 211 N 1.01 1.13 -0.72 -0.43 0.02 -0.95 0.46 113.55 114.07 3dkq h SER 211 Ca 0.20 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3dkq h SER 211 Cb 0.47 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 3dkq h SER 211 CO 0.02 0.89 0.46 1.23 -1.14 0.00 0.00 176.83 178.29 3dkq h GLY 212 N 1.28 1.02 0.92 -3.77 0.00 -0.97 -0.00 103.07 101.55 3dkq h GLY 212 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3dkq h GLY 212 CO -0.06 0.33 0.11 -2.08 0.00 0.00 0.00 176.54 174.84 3dkq h VAL 213 N 0.93 1.15 0.06 4.60 2.07 -0.76 -1.00 116.25 123.30 3dkq h VAL 213 Ca 0.28 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3dkq h VAL 213 Cb -0.05 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3dkq h VAL 213 CO -0.08 0.15 -0.21 0.22 0.02 0.00 0.00 177.57 177.66 3dkq h TYR 214 N 0.25 -0.56 -0.29 1.57 3.20 -0.58 -1.24 116.97 119.32 3dkq h TYR 214 Ca 0.08 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3dkq h TYR 214 Cb 0.13 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3dkq h TYR 214 CO -0.02 -0.30 -0.01 0.45 -1.64 0.00 0.00 178.16 176.63 3dkq h HIS 215 N -0.37 0.46 -0.21 -3.82 3.86 -0.94 0.56 115.15 114.69 3dkq h HIS 215 Ca 0.04 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3dkq h HIS 215 Cb 0.42 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3dkq h HIS 215 CO -0.23 0.47 0.04 -0.97 0.86 0.00 0.00 177.93 178.10 3dkq h ASN 216 N 0.43 0.33 -0.15 2.45 -0.73 -0.92 -0.87 115.58 116.12 3dkq h ASN 216 Ca 0.09 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.01 3dkq h ASN 216 Cb 0.30 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 3dkq h ASN 216 CO 0.01 0.50 0.09 -0.07 -0.37 0.00 0.00 177.43 177.59 3dkq h LEU 217 N 0.15 0.16 -0.39 0.34 3.38 -0.91 -1.49 115.31 116.53 3dkq h LEU 217 Ca 0.06 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3dkq h LEU 217 Cb 0.31 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3dkq h LEU 217 CO 0.00 0.11 0.08 0.25 0.09 0.00 0.00 178.44 178.98 3dkq h LEU 218 N 0.19 0.02 -0.90 1.67 5.85 -0.77 -0.88 115.31 120.49 3dkq h LEU 218 Ca 0.06 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3dkq h LEU 218 Cb -0.02 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3dkq h LEU 218 CO -0.02 0.04 0.43 0.03 -0.34 0.00 0.00 178.44 178.59 3dkq h ARG 219 N 0.21 1.22 -0.59 1.25 3.08 -1.04 -0.91 114.38 117.60 3dkq h ARG 219 Ca 0.19 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3dkq h ARG 219 Cb 0.22 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3dkq h ARG 219 CO -0.25 0.92 0.17 0.00 -1.07 0.00 0.00 179.97 179.74 3dkq h ARG 220 N 1.21 0.90 -0.01 0.04 3.08 -0.64 -3.28 114.38 115.68 3dkq h ARG 220 Ca 0.30 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3dkq h ARG 220 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3dkq h ARG 220 CO -0.04 0.79 -0.70 0.91 -1.07 0.00 0.00 179.97 179.86 3dkq n TRP 221 N -4.28 0.00 -2.82 3.04 8.01 -0.39 -4.98 117.44 116.02 3dkq n TRP 221 Ca 0.05 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.89 3dkq n TRP 221 Cb 0.22 -0.02 -0.07 0.00 -2.01 0.00 0.00 31.31 29.42 3dkq n TRP 221 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 3dkq s SER 222 N -2.75 7.09 -0.36 -0.99 0.01 -0.37 -4.50 113.70 111.84 3dkq s SER 222 Ca 0.14 1.73 0.00 0.00 1.31 0.00 0.00 55.95 59.13 3dkq s SER 222 Cb 0.17 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.97 3dkq s SER 222 CO 0.71 -0.24 0.16 -1.61 0.41 0.00 0.00 173.24 172.67 3dkq s GLU 223 N -2.72 0.83 0.00 12.44 2.02 -1.26 -5.00 118.70 125.01 3dkq s GLU 223 Ca 0.57 -1.37 0.27 0.00 0.02 0.00 0.00 54.97 54.46 3dkq s GLU 223 Cb -0.13 -1.94 0.82 0.00 0.10 0.00 0.00 34.13 32.99 3dkq s GLU 223 CO 0.17 -1.08 1.62 1.28 0.02 0.00 0.00 175.26 177.27