#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkq s TYR -3 N 0.00 3.31 -0.81 1.96 1.51 -0.88 -4.96 117.35 117.48 3dkq s TYR -3 Ca 0.00 0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 56.35 3dkq s TYR -3 Cb 0.00 -2.35 0.36 0.00 -0.11 0.00 0.00 41.96 39.86 3dkq s TYR -3 CO 0.00 0.01 2.00 1.19 -1.11 0.00 0.00 175.55 177.64 3dkq n PHE -2 N 4.46 3.02 -1.71 2.71 3.72 -1.26 -0.86 117.46 127.54 3dkq n PHE -2 Ca -0.13 -2.43 -0.27 0.00 -0.05 0.00 0.00 57.45 54.57 3dkq n PHE -2 Cb 0.52 -1.18 -0.05 0.00 -0.94 0.00 0.00 39.48 37.83 3dkq n PHE -2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3dkq s GLN -1 N -4.03 2.06 0.00 -1.08 -0.21 -1.26 -4.84 119.66 110.30 3dkq s GLN -1 Ca 0.53 0.69 0.00 0.00 0.02 0.00 0.00 55.36 56.61 3dkq s GLN -1 Cb 0.45 -4.70 0.00 0.00 1.00 0.00 0.00 33.01 29.75 3dkq s GLN -1 CO -0.36 -3.65 0.00 0.41 -2.12 0.00 0.00 175.29 169.57 3dkq n GLY 0 N 6.39 0.90 0.00 3.09 0.00 -1.26 -4.65 105.19 109.66 3dkq n GLY 0 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.13 0.99 -0.00 -1.26 -5.16 117.00 107.44 3dkq n LEU 2 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 3dkq n LEU 2 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 3dkq n LEU 2 CO 0.00 0.00 -0.50 -0.51 -0.00 0.00 0.00 177.39 176.38 3dkq s ILE 3 N 0.00 1.45 -0.22 1.47 2.07 -0.36 -4.58 121.20 121.03 3dkq s ILE 3 Ca 0.00 -0.72 -0.07 0.00 -1.41 0.00 0.00 60.65 58.46 3dkq s ILE 3 Cb 0.00 -1.25 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 3dkq s ILE 3 CO 0.00 0.42 0.05 -1.61 -1.91 0.00 0.00 174.94 171.89 3dkq s GLU 4 N 0.11 3.76 -0.40 3.50 2.02 -0.04 -0.67 118.70 126.98 3dkq s GLU 4 Ca -0.06 -0.44 -0.07 0.00 0.02 0.00 0.00 54.97 54.42 3dkq s GLU 4 Cb -0.12 -3.24 0.08 0.00 0.10 0.00 0.00 34.13 30.95 3dkq s GLU 4 CO 0.03 0.01 0.22 0.42 0.02 0.00 0.00 175.26 175.96 3dkq s ILE 5 N 1.06 3.88 0.50 -1.63 1.01 0.45 -2.08 121.20 124.39 3dkq s ILE 5 Ca 0.04 -1.54 -0.14 0.00 0.00 0.00 0.00 60.65 59.01 3dkq s ILE 5 Cb -0.14 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 3dkq s ILE 5 CO 0.03 -0.50 0.93 -2.16 0.00 0.00 0.00 174.94 173.24 3dkq s PRO 6 N 1.34 3.84 -1.38 2.79 0.04 -1.26 -1.14 135.00 139.23 3dkq s PRO 6 Ca 0.03 0.78 -0.05 0.00 0.04 0.00 0.00 61.00 61.80 3dkq s PRO 6 Cb -0.23 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.14 3dkq s PRO 6 CO 0.00 -0.26 0.79 0.09 0.04 0.00 0.00 177.00 177.67 3dkq n ASN 7 N -1.73 -2.39 -0.27 6.66 3.02 -1.25 -4.89 115.26 114.42 3dkq n ASN 7 Ca 0.05 -0.81 -0.06 0.00 -0.03 0.00 0.00 54.58 53.74 3dkq n ASN 7 Cb 0.54 -3.99 0.05 0.00 -0.61 0.00 0.00 39.78 35.77 3dkq n ASN 7 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3dkq h VAL 8 N -1.96 1.25 -3.85 2.41 2.07 -0.70 -3.43 116.25 112.04 3dkq h VAL 8 Ca -0.60 -0.73 -0.56 0.00 0.82 0.00 0.00 66.70 65.63 3dkq h VAL 8 Cb 1.36 0.36 -0.21 0.00 -1.52 0.00 0.00 31.29 31.28 3dkq h VAL 8 CO 0.60 0.30 -0.82 -0.36 0.02 0.00 0.00 177.57 177.31 3dkq s PHE 9 N -5.63 1.82 0.93 1.57 0.08 -1.07 -4.99 117.98 110.69 3dkq s PHE 9 Ca -0.13 -0.42 -0.13 0.00 0.12 0.00 0.00 56.93 56.37 3dkq s PHE 9 Cb 0.15 -0.98 0.15 0.00 -0.57 0.00 0.00 43.02 41.76 3dkq s PHE 9 CO 0.82 0.23 1.14 -1.54 -0.10 0.00 0.00 175.22 175.77 3dkq s SER 10 N -2.00 3.30 0.28 1.36 1.04 -1.26 -4.51 113.70 111.90 3dkq s SER 10 Ca 0.08 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.44 3dkq s SER 10 Cb -0.10 -1.47 0.41 0.00 0.10 0.00 0.00 66.02 64.97 3dkq s SER 10 CO 0.05 -2.68 1.78 0.11 0.98 0.00 0.00 173.24 173.48 3dkq h LYS 11 N -1.59 0.69 -0.30 4.02 1.79 -1.99 0.14 116.57 119.33 3dkq h LYS 11 Ca -0.50 -0.18 -0.05 0.00 -2.18 0.00 0.00 60.65 57.73 3dkq h LYS 11 Cb 1.33 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 3dkq h LYS 11 CO 0.59 0.73 -0.01 0.37 -1.08 0.00 0.00 179.45 180.05 3dkq h GLN 12 N 0.65 0.53 -0.78 3.15 4.15 -1.99 -1.81 115.11 119.00 3dkq h GLN 12 Ca 0.13 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 3dkq h GLN 12 Cb 0.44 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3dkq h GLN 12 CO 0.02 0.69 0.33 0.93 -1.93 0.00 0.00 178.83 178.87 3dkq h GLU 13 N 0.32 1.16 -0.81 1.69 5.08 -1.85 -1.43 114.58 118.74 3dkq h GLU 13 Ca 0.08 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3dkq h GLU 13 Cb 0.45 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3dkq h GLU 13 CO 0.02 0.92 0.45 0.28 -1.00 0.00 0.00 179.01 179.68 3dkq h VAL 14 N 1.12 1.24 -0.63 3.13 2.07 -0.91 0.74 116.25 123.01 3dkq h VAL 14 Ca 0.26 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3dkq h VAL 14 Cb 0.18 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 3dkq h VAL 14 CO -0.03 0.26 0.19 0.28 0.02 0.00 0.00 177.57 178.29 3dkq h SER 15 N 1.12 0.93 -0.52 0.57 0.02 -0.90 0.32 113.55 115.10 3dkq h SER 15 Ca 0.28 -0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3dkq h SER 15 Cb 0.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3dkq h SER 15 CO -0.05 0.90 -0.08 -0.74 -1.14 0.00 0.00 176.83 175.72 3dkq h HIS 16 N 0.92 1.10 -0.07 3.45 6.17 -0.97 0.82 115.15 126.56 3dkq h HIS 16 Ca 0.20 -0.21 0.00 0.00 0.71 0.00 0.00 60.37 61.07 3dkq h HIS 16 Cb 0.31 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 29.96 3dkq h HIS 16 CO 0.02 1.01 0.05 -0.07 0.71 0.00 0.00 177.93 179.65 3dkq h LEU 17 N 0.89 0.09 -1.04 0.26 3.38 -0.67 -2.74 115.31 115.47 3dkq h LEU 17 Ca 0.15 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3dkq h LEU 17 Cb 0.63 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3dkq h LEU 17 CO 0.04 0.07 0.02 0.03 0.09 0.00 0.00 178.44 178.70 3dkq h ARG 18 N 0.09 0.71 -0.54 1.13 2.47 -0.69 -0.12 114.38 117.42 3dkq h ARG 18 Ca 0.03 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3dkq h ARG 18 Cb 0.00 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 3dkq h ARG 18 CO -0.01 0.71 0.29 1.49 0.56 0.00 0.00 179.97 183.01 3dkq h GLU 19 N 0.67 0.77 -0.18 0.04 4.81 -0.78 0.13 114.58 120.04 3dkq h GLU 19 Ca 0.14 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3dkq h GLU 19 Cb 0.38 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3dkq h GLU 19 CO 0.01 0.60 -0.11 1.96 -0.73 0.00 0.00 179.01 180.74 3dkq h GLN 20 N 0.73 0.39 -0.45 1.92 4.20 -1.25 -3.20 115.11 117.46 3dkq h GLN 20 Ca 0.19 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 3dkq h GLN 20 Cb 0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3dkq h GLN 20 CO -0.03 0.71 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.64 3dkq h LEU 21 N 0.07 0.90 -1.92 1.46 3.38 -0.86 -3.18 115.31 115.16 3dkq h LEU 21 Ca 0.04 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3dkq h LEU 21 Cb 0.61 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3dkq h LEU 21 CO 0.03 1.06 -0.12 0.44 0.09 0.00 0.00 178.44 179.95 3dkq h ASP 22 N 0.72 0.00 0.90 -0.43 5.19 -0.82 -2.34 116.42 119.64 3dkq h ASP 22 Ca 0.11 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 3dkq h ASP 22 Cb 0.69 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 3dkq h ASP 22 CO 0.05 0.12 -0.21 0.00 -3.12 0.00 0.00 179.24 176.07 3dkq h ALA 23 N 1.88 1.03 -2.48 3.45 0.00 -1.54 -3.46 119.26 118.14 3dkq h ALA 23 Ca -0.00 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 54.24 3dkq h ALA 23 Cb 0.26 -0.03 0.11 0.00 0.00 0.00 0.00 17.79 18.13 3dkq h ALA 23 CO 0.02 0.27 0.35 1.03 0.00 0.00 0.00 179.25 180.91 3dkq s ARG 24 N -3.68 1.86 -0.52 0.00 1.81 -0.88 -4.99 118.95 112.56 3dkq s ARG 24 Ca 0.00 0.41 -0.25 0.00 -1.72 0.00 0.00 55.73 54.17 3dkq s ARG 24 Cb 0.10 -1.91 0.03 0.00 -0.45 0.00 0.00 34.95 32.72 3dkq s ARG 24 CO 0.63 -1.72 0.98 0.50 -0.68 0.00 0.00 175.30 175.01 3dkq s ARG 25 N -5.29 3.45 -0.39 3.54 3.52 -1.26 -5.01 118.95 117.51 3dkq s ARG 25 Ca 0.62 -0.00 -0.27 0.00 -0.13 0.00 0.00 55.73 55.94 3dkq s ARG 25 Cb -0.13 -3.99 0.02 0.00 -1.56 0.00 0.00 34.95 29.28 3dkq s ARG 25 CO 0.53 -1.41 1.00 -1.58 -0.81 0.00 0.00 175.30 173.02 3dkq s TRP 26 N 4.04 3.02 -0.07 5.12 0.52 -1.26 -4.50 118.94 125.81 3dkq s TRP 26 Ca 0.35 0.81 -0.13 0.00 0.02 0.00 0.00 56.10 57.15 3dkq s TRP 26 Cb -0.11 -3.85 -0.05 0.00 -1.15 0.00 0.00 33.47 28.31 3dkq s TRP 26 CO 0.23 -0.93 0.33 0.42 0.02 0.00 0.00 176.95 177.02 3dkq s ILE 27 N 3.74 5.20 0.80 2.03 1.01 0.92 -4.83 121.20 130.07 3dkq s ILE 27 Ca 0.41 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.60 3dkq s ILE 27 Cb -0.11 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 38.79 3dkq s ILE 27 CO 0.21 0.52 1.15 -1.81 0.00 0.00 0.00 174.94 175.02 3dkq s ASP 28 N -0.56 4.62 0.00 3.58 1.11 -1.26 -0.79 116.67 123.37 3dkq s ASP 28 Ca 0.20 0.90 0.00 0.00 0.18 0.00 0.00 52.55 53.83 3dkq s ASP 28 Cb -0.15 -1.48 0.00 0.00 1.07 0.00 0.00 42.92 42.36 3dkq s ASP 28 CO 0.09 -1.84 0.00 0.61 1.18 0.00 0.00 175.17 175.21 3dkq n GLY 29 N -3.09 1.51 2.42 0.21 0.00 -1.13 -4.87 105.19 100.25 3dkq n GLY 29 Ca 0.08 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3dkq n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dkq n ASN 30 N 0.00 2.15 -2.83 1.61 4.13 -1.26 -2.99 115.26 116.08 3dkq n ASN 30 Ca 0.00 -3.19 -0.29 0.00 1.68 0.00 0.00 54.58 52.78 3dkq n ASN 30 Cb 0.00 -0.62 -0.02 0.00 -1.54 0.00 0.00 39.78 37.60 3dkq n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dkq n GLN 31 N 0.51 3.45 -1.70 3.52 0.00 -1.26 -4.85 117.38 117.04 3dkq n GLN 31 Ca 0.27 -4.66 -0.43 0.00 0.00 0.00 0.00 57.00 52.17 3dkq n GLN 31 Cb 0.52 -2.26 -0.03 0.00 0.00 0.00 0.00 30.24 28.46 3dkq n GLN 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3dkq n ARG 40 N -0.33 2.54 -3.78 2.61 0.63 -1.26 -5.09 116.66 111.97 3dkq n ARG 40 Ca 0.36 0.91 -0.13 0.00 -0.92 0.00 0.00 57.85 58.08 3dkq n ARG 40 Cb 0.47 -2.72 -0.10 0.00 0.45 0.00 0.00 32.46 30.56 3dkq n ARG 40 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3dkq s LYS 41 N 0.76 0.43 -0.26 -0.14 2.20 -1.26 -1.68 119.74 119.78 3dkq s LYS 41 Ca 0.74 0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 56.54 3dkq s LYS 41 Cb -0.56 0.20 0.15 0.00 -1.51 0.00 0.00 37.83 36.11 3dkq s LYS 41 CO 0.37 -0.08 0.43 0.50 -0.36 0.00 0.00 175.35 176.22 3dkq s ARG 42 N -0.31 0.41 0.00 4.03 3.52 -0.81 -4.28 118.95 121.52 3dkq s ARG 42 Ca -0.04 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 3dkq s ARG 42 Cb -0.03 -0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.14 3dkq s ARG 42 CO 0.01 -0.72 0.00 0.27 -0.81 0.00 0.00 175.30 174.05 3dkq n ASN 43 N 5.38 0.00 -4.22 -2.12 0.23 -1.16 -1.22 115.26 112.15 3dkq n ASN 43 Ca -0.02 -0.66 -0.22 0.00 -0.53 0.00 0.00 54.58 53.15 3dkq n ASN 43 Cb 0.50 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.07 3dkq n ASN 43 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3dkq s GLN 44 N -0.98 1.08 0.08 -3.83 -0.21 -0.62 -2.83 119.66 112.35 3dkq s GLN 44 Ca 0.00 -0.96 -0.07 0.00 0.02 0.00 0.00 55.36 54.35 3dkq s GLN 44 Cb 0.00 -1.19 -0.01 0.00 1.00 0.00 0.00 33.01 32.81 3dkq s GLN 44 CO 0.00 0.29 0.14 -0.65 -2.12 0.00 0.00 175.29 172.95 3dkq s GLN 45 N -1.48 0.78 0.22 2.91 -0.21 0.03 -0.66 119.66 121.25 3dkq s GLN 45 Ca 0.04 -0.99 -0.17 0.00 0.02 0.00 0.00 55.36 54.25 3dkq s GLN 45 Cb -0.09 0.31 -0.08 0.00 1.00 0.00 0.00 33.01 34.15 3dkq s GLN 45 CO 0.02 -0.23 0.67 -0.51 -2.12 0.00 0.00 175.29 173.13 3dkq s LEU 46 N -2.82 4.29 0.33 2.90 1.43 -0.90 -0.05 118.68 123.85 3dkq s LEU 46 Ca 0.05 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 3dkq s LEU 46 Cb 0.05 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.58 3dkq s LEU 46 CO -0.10 0.01 1.52 -0.62 0.23 0.00 0.00 176.35 177.38 3dkq s ASP 47 N -1.78 6.41 0.45 2.29 2.15 -1.26 -4.71 116.67 120.21 3dkq s ASP 47 Ca 0.43 2.95 0.18 0.00 0.43 0.00 0.00 52.55 56.55 3dkq s ASP 47 Cb -0.15 -2.65 1.13 0.00 -0.30 0.00 0.00 42.92 40.95 3dkq s ASP 47 CO 0.20 -0.85 1.92 0.07 -0.17 0.00 0.00 175.17 176.34 3dkq h LYS 48 N 3.99 0.32 -0.23 4.34 2.10 -1.97 -1.56 116.57 123.56 3dkq h LYS 48 Ca -0.49 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3dkq h LYS 48 Cb 1.23 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3dkq h LYS 48 CO 0.72 0.21 0.00 -0.25 -2.00 0.00 0.00 179.45 178.13 3dkq n ASP 49 N -4.46 1.88 -4.67 7.07 8.00 -1.26 -4.54 116.55 118.58 3dkq n ASP 49 Ca 0.15 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 3dkq n ASP 49 Cb 0.59 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 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 -1.45 6.60 0.41 -2.24 -1.08 -0.59 -4.88 116.67 113.45 3dkq s ASP 50 Ca 0.31 2.40 0.08 0.00 -0.52 0.00 0.00 52.55 54.82 3dkq s ASP 50 Cb 0.17 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.97 3dkq s ASP 50 CO 0.25 -0.95 2.05 1.55 0.52 0.00 0.00 175.17 178.59 3dkq h PRO 51 N 9.49 0.53 -0.30 4.34 0.13 -1.90 0.96 132.00 145.25 3dkq h PRO 51 Ca -0.42 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 3dkq h PRO 51 Cb 1.20 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3dkq h PRO 51 CO 0.94 0.35 -0.12 0.28 -0.23 0.00 0.00 178.00 179.22 3dkq h VAL 52 N 0.54 1.29 -0.65 1.56 2.07 -1.97 -0.10 116.25 119.00 3dkq h VAL 52 Ca 0.17 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.51 3dkq h VAL 52 Cb 0.03 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3dkq h VAL 52 CO -0.04 0.38 0.42 0.00 0.02 0.00 0.00 177.57 178.36 3dkq h ALA 53 N 0.77 0.83 -0.15 1.67 0.00 -1.65 0.24 119.26 120.97 3dkq h ALA 53 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dkq h ALA 53 Cb 0.63 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dkq h ALA 53 CO 0.04 0.23 0.05 0.28 0.00 0.00 0.00 179.25 179.85 3dkq h VAL 54 N 0.86 1.18 -0.09 0.00 2.07 -0.77 -0.71 116.25 118.78 3dkq h VAL 54 Ca 0.24 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3dkq h VAL 54 Cb -0.08 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3dkq h VAL 54 CO -0.06 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.76 3dkq h ALA 55 N 0.87 0.12 -0.04 1.67 0.00 -0.77 -1.99 119.26 119.11 3dkq h ALA 55 Ca 0.05 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3dkq h ALA 55 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dkq h ALA 55 CO -0.00 -0.39 -0.57 -0.07 0.00 0.00 0.00 179.25 178.22 3dkq h LEU 56 N 0.13 0.13 -0.75 0.00 3.38 -0.95 -2.09 115.31 115.15 3dkq h LEU 56 Ca 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3dkq h LEU 56 Cb -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3dkq h LEU 56 CO -0.01 0.67 0.38 1.23 0.09 0.00 0.00 178.44 180.81 3dkq h GLY 57 N 1.58 1.14 1.04 0.83 0.00 -1.00 -1.39 103.07 105.27 3dkq h GLY 57 Ca -0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3dkq h GLY 57 CO 0.08 0.52 0.32 -1.61 0.00 0.00 0.00 176.54 175.85 3dkq h GLN 58 N 1.04 1.15 -0.95 4.80 5.75 -0.92 -2.43 115.11 123.55 3dkq h GLN 58 Ca 0.26 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3dkq h GLN 58 Cb 0.08 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 3dkq h GLN 58 CO -0.04 0.93 0.61 1.96 -2.65 0.00 0.00 178.83 179.64 3dkq h GLN 59 N 1.11 1.27 -0.77 1.69 4.20 -1.11 0.14 115.11 121.64 3dkq h GLN 59 Ca 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3dkq h GLN 59 Cb 0.20 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3dkq h GLN 59 CO -0.02 0.86 0.00 -0.89 -0.67 0.00 0.00 178.83 178.11 3dkq n ILE 60 N -4.39 0.11 0.00 2.54 5.41 -0.55 -1.39 119.36 121.09 3dkq n ILE 60 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3dkq n ILE 60 Cb 0.03 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 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 0.51 0.00 -0.19 4.38 8.00 0.50 -1.41 116.55 128.34 3dkq n ASP 62 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3dkq n ASP 62 Cb 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.76 -0.44 -1.24 9.65 -1.47 -1.37 114.38 120.27 3dkq h ARG 63 Ca 0.00 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.72 3dkq h ARG 63 Cb 0.00 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 3dkq h ARG 63 CO 0.00 0.61 0.04 -0.07 2.80 0.00 0.00 179.97 183.35 3dkq h LEU 64 N 0.72 0.73 -2.11 3.80 3.38 -1.50 -2.59 115.31 117.74 3dkq h LEU 64 Ca 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dkq h LEU 64 Cb 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3dkq h LEU 64 CO -0.03 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 179.26 3dkq h LEU 65 N 0.60 0.00 -0.90 1.67 3.38 -1.77 -1.46 115.31 116.83 3dkq h LEU 65 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dkq h LEU 65 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dkq h LEU 65 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3dkq n ALA 66 N -2.06 2.58 -2.56 1.53 0.00 -0.53 -4.82 120.51 114.64 3dkq n ALA 66 Ca -0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 3dkq n ALA 66 Cb 0.19 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.98 3.23 0.33 0.00 5.04 -0.55 -4.99 115.29 116.38 3dkq s HIS 67 Ca 0.38 -0.55 0.02 0.00 -1.54 0.00 0.00 55.06 53.37 3dkq s HIS 67 Cb 0.21 -2.52 0.58 0.00 0.04 0.00 0.00 32.58 30.88 3dkq s HIS 67 CO 0.33 -0.53 1.93 -1.35 -2.34 0.00 0.00 174.74 172.77 3dkq h PRO 68 N 8.55 0.72 -0.02 2.88 0.11 -1.88 -1.57 132.00 140.79 3dkq h PRO 68 Ca -0.28 -0.10 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 3dkq h PRO 68 Cb 1.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3dkq h PRO 68 CO 0.69 0.59 -0.57 1.96 -0.21 0.00 0.00 178.00 180.46 3dkq h GLN 69 N 0.72 0.08 -0.03 1.05 4.20 -1.94 0.71 115.11 119.91 3dkq h GLN 69 Ca 0.18 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3dkq h GLN 69 Cb 0.13 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3dkq h GLN 69 CO -0.02 0.63 -0.02 0.35 -0.67 0.00 0.00 178.83 179.10 3dkq h PHE 70 N 0.06 0.07 -0.57 2.96 3.57 -1.77 -1.19 116.94 120.07 3dkq h PHE 70 Ca -0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3dkq h PHE 70 Cb 1.02 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3dkq h PHE 70 CO 0.01 0.49 0.33 0.28 -2.23 0.00 0.00 178.31 177.19 3dkq h VAL 71 N -0.37 1.03 -0.11 1.41 2.07 -1.18 -0.89 116.25 118.21 3dkq h VAL 71 Ca 0.01 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3dkq h VAL 71 Cb 0.47 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3dkq h VAL 71 CO 0.00 0.12 0.05 -1.28 0.02 0.00 0.00 177.57 176.48 3dkq h SER 72 N 0.65 0.15 -0.65 0.57 0.87 -0.83 0.28 113.55 114.59 3dkq h SER 72 Ca 0.24 -0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3dkq h SER 72 Cb 0.06 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3dkq h SER 72 CO -0.12 0.25 0.08 0.00 -0.53 0.00 0.00 176.83 176.51 3dkq h ALA 73 N 0.90 0.90 0.00 6.23 0.00 -0.97 -3.36 119.26 122.96 3dkq h ALA 73 Ca 0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 3dkq h ALA 73 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3dkq h ALA 73 CO -0.00 0.67 -2.04 0.00 0.00 0.00 0.00 179.25 177.87 3dkq n ALA 74 N -2.47 2.17 -4.00 0.00 0.00 -0.36 -4.88 120.51 110.96 3dkq n ALA 74 Ca 0.04 -0.80 -0.38 0.00 0.00 0.00 0.00 53.44 52.30 3dkq n ALA 74 Cb 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.40 -1.23 -4.75 0.00 4.77 0.97 -4.53 117.00 109.83 3dkq n LEU 75 Ca -0.16 -1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 54.22 3dkq n LEU 75 Cb 0.78 -1.88 -0.02 0.00 -2.33 0.00 0.00 43.42 39.96 3dkq n LEU 75 CO 0.39 0.64 1.13 -2.16 -1.33 0.00 0.00 177.39 176.06 3dkq s PRO 76 N -6.96 4.22 -0.21 3.23 0.04 -1.26 -4.46 135.00 129.60 3dkq s PRO 76 Ca 0.36 2.39 -0.07 0.00 0.04 0.00 0.00 61.00 63.72 3dkq s PRO 76 Cb -0.17 -3.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.19 3dkq s PRO 76 CO 0.94 -0.46 -0.25 -0.11 0.04 0.00 0.00 177.00 177.16 3dkq n LEU 77 N 1.93 1.99 -3.70 -3.56 7.94 0.37 -4.97 117.00 117.00 3dkq n LEU 77 Ca 0.06 0.14 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 3dkq n LEU 77 Cb 0.40 -0.66 -0.10 0.00 0.53 0.00 0.00 43.42 43.59 3dkq n LEU 77 CO 0.61 0.58 0.12 -1.58 -1.11 0.00 0.00 177.39 176.01 3dkq s GLN 78 N -2.40 0.49 0.13 1.96 0.74 -1.02 -5.01 119.66 114.56 3dkq s GLN 78 Ca -0.29 0.73 -0.02 0.00 0.05 0.00 0.00 55.36 55.82 3dkq s GLN 78 Cb 0.10 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 34.31 3dkq s GLN 78 CO 0.41 -0.10 0.33 -0.06 -0.55 0.00 0.00 175.29 175.31 3dkq s PHE 79 N 0.75 3.49 -0.16 1.67 0.08 -1.26 -0.94 117.98 121.61 3dkq s PHE 79 Ca -0.04 0.41 -0.23 0.00 0.12 0.00 0.00 56.93 57.19 3dkq s PHE 79 Cb -0.05 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3dkq s PHE 79 CO -0.06 0.47 0.70 -0.47 -0.10 0.00 0.00 175.22 175.76 3dkq s TYR 80 N -1.66 3.44 0.26 0.36 6.14 0.04 -4.97 117.35 120.96 3dkq s TYR 80 Ca 0.39 1.09 -0.30 0.00 0.64 0.00 0.00 57.07 58.89 3dkq s TYR 80 Cb -0.12 -2.86 -0.13 0.00 0.42 0.00 0.00 41.96 39.27 3dkq s TYR 80 CO 0.27 -0.13 1.33 -2.30 0.64 0.00 0.00 175.55 175.36 3dkq n PRO 81 N 4.78 1.93 -1.62 4.97 -0.02 -1.26 -4.00 135.00 139.78 3dkq n PRO 81 Ca 0.00 0.69 -0.45 0.00 -2.02 0.00 0.00 63.50 61.72 3dkq n PRO 81 Cb 0.50 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 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 1.56 1.55 -4.64 0.52 -0.02 -1.26 -4.91 135.00 127.80 3dkq n PRO 82 Ca 0.10 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.79 3dkq n PRO 82 Cb 0.32 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 3dkq n PRO 82 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dkq s LEU 83 N 0.14 2.75 -0.21 2.45 0.20 0.60 -4.83 118.68 119.78 3dkq s LEU 83 Ca 0.60 -0.33 -0.13 0.00 0.69 0.00 0.00 54.13 54.96 3dkq s LEU 83 Cb -0.68 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.40 3dkq s LEU 83 CO 0.59 0.14 0.28 -0.36 -0.29 0.00 0.00 176.35 176.71 3dkq s PHE 84 N 0.50 3.37 0.16 5.38 0.40 -1.26 0.02 117.98 126.54 3dkq s PHE 84 Ca -0.08 0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.77 3dkq s PHE 84 Cb -0.16 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 3dkq s PHE 84 CO 0.04 0.06 -0.14 0.54 0.70 0.00 0.00 175.22 176.43 3dkq s ASN 85 N 0.94 2.18 -0.10 1.36 2.20 -0.56 -2.13 114.94 118.83 3dkq s ASN 85 Ca 0.14 -0.93 -0.06 0.00 -0.94 0.00 0.00 52.86 51.07 3dkq s ASN 85 Cb -0.14 -0.08 0.04 0.00 -2.00 0.00 0.00 41.25 39.07 3dkq s ASN 85 CO 0.06 -0.19 0.24 -0.60 -2.94 0.00 0.00 177.10 173.67 3dkq s ARG 86 N -3.25 0.23 -0.13 3.55 3.52 0.16 -1.86 118.95 121.17 3dkq s ARG 86 Ca 0.16 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 3dkq s ARG 86 Cb -0.02 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 3dkq s ARG 86 CO 0.04 -0.12 -0.13 0.71 -0.81 0.00 0.00 175.30 174.99 3dkq s TYR 87 N 0.88 1.96 0.21 5.12 1.51 -0.18 -1.58 117.35 125.27 3dkq s TYR 87 Ca -0.06 -1.04 -0.13 0.00 -1.01 0.00 0.00 57.07 54.83 3dkq s TYR 87 Cb -0.07 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3dkq s TYR 87 CO -0.06 -0.59 0.44 1.14 -1.11 0.00 0.00 175.55 175.37 3dkq s GLN 88 N 1.42 1.40 -1.40 -0.62 -2.07 -1.26 -1.11 119.66 116.01 3dkq s GLN 88 Ca 0.02 -1.13 -0.09 0.00 -1.82 0.00 0.00 55.36 52.35 3dkq s GLN 88 Cb -0.13 0.46 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 3dkq s GLN 88 CO -0.08 -0.57 0.34 0.41 -1.32 0.00 0.00 175.29 174.07 3dkq n GLY 89 N -0.33 -0.38 2.38 2.60 0.00 -1.14 -1.52 105.19 106.81 3dkq n GLY 89 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.21 1.24 3.78 -0.02 0.00 0.26 -5.01 105.19 103.22 3dkq n GLY 90 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.21 4.12 0.20 1.61 2.02 -0.58 -4.62 118.70 121.24 3dkq s GLU 91 Ca 0.00 2.56 -0.18 0.00 0.02 0.00 0.00 54.97 57.36 3dkq s GLU 91 Cb 0.00 -2.98 0.03 0.00 0.10 0.00 0.00 34.13 31.28 3dkq s GLU 91 CO 0.00 -0.53 0.54 -0.08 0.02 0.00 0.00 175.26 175.21 3dkq s THR 92 N -0.99 0.02 -0.24 3.63 -1.32 -0.36 -2.45 115.64 113.94 3dkq s THR 92 Ca 0.54 -0.74 -0.01 0.00 -1.21 0.00 0.00 61.69 60.27 3dkq s THR 92 Cb -0.46 -1.57 0.07 0.00 -1.51 0.00 0.00 72.50 69.03 3dkq s THR 92 CO 0.61 -0.10 0.04 0.12 -2.21 0.00 0.00 174.62 173.08 3dkq s PHE 93 N -3.87 1.53 1.02 9.09 2.19 -0.81 -1.92 117.98 125.21 3dkq s PHE 93 Ca 0.09 -1.33 -0.12 0.00 0.33 0.00 0.00 56.93 55.90 3dkq s PHE 93 Cb -0.01 -1.36 0.20 0.00 -1.31 0.00 0.00 43.02 40.54 3dkq s PHE 93 CO -0.03 -0.73 1.08 0.20 1.83 0.00 0.00 175.22 177.57 3dkq s GLY 94 N 1.68 1.57 0.11 13.12 0.00 -0.68 -0.99 107.32 122.13 3dkq s GLY 94 Ca 0.02 -0.29 -0.35 0.00 0.00 0.00 0.00 44.72 44.09 3dkq s GLY 94 CO -0.13 0.34 1.47 -1.72 0.00 0.00 0.00 173.10 173.06 3dkq n TYR 95 N -4.30 1.89 -3.71 1.90 4.01 -1.25 -4.61 117.16 111.08 3dkq n TYR 95 Ca 0.05 0.45 -0.09 0.00 -0.16 0.00 0.00 57.90 58.15 3dkq n TYR 95 Cb 0.56 -2.44 -0.02 0.00 -0.31 0.00 0.00 39.34 37.13 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 0.85 -0.25 -0.11 -0.72 -3.43 -0.85 -4.85 115.29 105.93 3dkq s HIS 96 Ca 0.82 -0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.98 3dkq s HIS 96 Cb -0.83 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 30.89 3dkq s HIS 96 CO 0.43 -1.05 -0.13 0.42 -2.00 0.00 0.00 174.74 172.42 3dkq s ILE 97 N -3.86 3.13 0.43 -5.38 1.01 -1.26 -1.84 121.20 113.42 3dkq s ILE 97 Ca 0.08 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 3dkq s ILE 97 Cb -0.03 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.06 3dkq s ILE 97 CO -0.01 0.54 1.11 -1.81 0.00 0.00 0.00 174.94 174.78 3dkq s ASP 98 N 0.08 6.46 0.46 3.58 1.01 -1.24 -5.00 116.67 122.02 3dkq s ASP 98 Ca -0.05 2.19 -0.25 0.00 0.71 0.00 0.00 52.55 55.15 3dkq s ASP 98 Cb -0.15 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.11 3dkq s ASP 98 CO 0.04 -0.71 1.36 0.20 0.21 0.00 0.00 175.17 176.27 3dkq s ASN 99 N -1.43 5.91 0.28 0.27 0.01 -1.26 -4.81 114.94 113.90 3dkq s ASN 99 Ca 0.60 2.76 0.05 0.00 -0.71 0.00 0.00 52.86 55.56 3dkq s ASN 99 Cb -0.26 -2.64 0.39 0.00 0.41 0.00 0.00 41.25 39.15 3dkq s ASN 99 CO 0.32 -1.13 1.67 0.00 -1.51 0.00 0.00 177.10 176.44 3dkq h ALA 100 N 2.24 1.04 -4.08 0.60 0.00 -1.94 -3.43 119.26 113.69 3dkq h ALA 100 Ca -0.50 -0.42 -0.69 0.00 0.00 0.00 0.00 54.91 53.29 3dkq h ALA 100 Cb 1.27 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.68 3dkq h ALA 100 CO 0.61 0.61 -0.84 0.42 0.00 0.00 0.00 179.25 180.05 3dkq s ILE 101 N -4.15 2.48 -0.00 0.00 -1.09 -1.26 -0.24 121.20 116.94 3dkq s ILE 101 Ca -0.05 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 3dkq s ILE 101 Cb 0.13 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 3dkq s ILE 101 CO 0.78 0.57 -0.06 -0.13 -1.23 0.00 0.00 174.94 174.88 3dkq s ARG 102 N -0.39 0.47 -0.13 2.79 1.81 -0.41 -4.96 118.95 118.13 3dkq s ARG 102 Ca 0.03 -0.23 -0.18 0.00 -1.72 0.00 0.00 55.73 53.64 3dkq s ARG 102 Cb -0.12 -0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 33.89 3dkq s ARG 102 CO 0.02 0.12 0.47 0.45 -0.68 0.00 0.00 175.30 175.67 3dkq s SER 103 N -0.19 6.65 0.42 0.23 0.15 -1.26 -0.85 113.70 118.85 3dkq s SER 103 Ca 0.02 0.77 0.07 0.00 0.70 0.00 0.00 55.95 57.50 3dkq s SER 103 Cb -0.03 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.95 3dkq s SER 103 CO -0.00 -0.01 0.12 0.42 1.20 0.00 0.00 173.24 174.97 3dkq s THR 104 N 0.73 2.10 0.58 6.45 -4.23 -0.29 -4.97 115.64 116.01 3dkq s THR 104 Ca 0.25 -1.81 0.32 0.00 -1.18 0.00 0.00 61.69 59.26 3dkq s THR 104 Cb -0.15 -2.91 0.36 0.00 1.34 0.00 0.00 72.50 71.14 3dkq s THR 104 CO 0.10 0.00 2.25 -0.65 -0.54 0.00 0.00 174.62 175.78 3dkq h PRO 105 N 1.51 0.00 -1.49 3.99 0.11 -1.98 -3.08 132.00 131.06 3dkq h PRO 105 Ca -0.43 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.05 3dkq h PRO 105 Cb 1.25 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.98 3dkq h PRO 105 CO 0.73 0.01 -0.30 -0.25 -0.21 0.00 0.00 178.00 177.99 3dkq n ASP 106 N -3.71 5.46 0.00 -2.05 8.00 -1.26 -5.26 116.55 117.73 3dkq n ASP 106 Ca -0.03 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.72 3dkq n ASP 106 Cb 0.10 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 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 -0.54 1.26 3.62 0.44 0.00 -1.17 -5.18 105.19 103.62 3dkq n GLY 107 Ca 0.44 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.03 -1.14 121.20 114.89 3dkq s ILE 109 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 60.22 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 0.45 -0.60 0.24 0.00 0.00 174.94 175.03 3dkq s ARG 110 N -1.49 4.24 -1.02 0.37 3.52 -1.26 -1.29 118.95 122.01 3dkq s ARG 110 Ca 0.07 0.33 -0.20 0.00 -0.13 0.00 0.00 55.73 55.81 3dkq s ARG 110 Cb -0.01 -3.50 0.10 0.00 -1.56 0.00 0.00 34.95 29.98 3dkq s ARG 110 CO -0.05 0.01 1.33 0.95 -0.81 0.00 0.00 175.30 176.73 3dkq s THR 111 N 1.12 4.43 0.00 4.11 -4.23 0.67 -3.46 115.64 118.28 3dkq s THR 111 Ca 0.22 -1.44 -0.19 0.00 -1.18 0.00 0.00 61.69 59.11 3dkq s THR 111 Cb -0.15 -4.93 -0.29 0.00 1.34 0.00 0.00 72.50 68.47 3dkq s THR 111 CO 0.09 -1.72 1.02 0.44 -0.54 0.00 0.00 174.62 173.91 3dkq h ASP 112 N 8.88 0.65 -4.35 3.99 3.32 -1.58 -3.40 116.42 123.93 3dkq h ASP 112 Ca 0.21 -0.86 -0.32 0.00 0.02 0.00 0.00 57.03 56.08 3dkq h ASP 112 Cb 0.99 -0.21 -0.25 0.00 0.22 0.00 0.00 39.33 40.09 3dkq h ASP 112 CO 1.27 1.44 -0.75 -0.76 -1.72 0.00 0.00 179.24 178.72 3dkq s LEU 113 N -7.98 2.14 0.20 1.55 1.43 -0.74 -2.98 118.68 112.30 3dkq s LEU 113 Ca -0.12 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3dkq s LEU 113 Cb 0.03 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 3dkq s LEU 113 CO 0.87 -0.06 0.09 -0.44 0.23 0.00 0.00 176.35 177.05 3dkq s SER 114 N -0.92 5.19 -0.20 2.29 0.01 0.88 -0.42 113.70 120.53 3dkq s SER 114 Ca -0.03 -0.29 -0.16 0.00 1.31 0.00 0.00 55.95 56.78 3dkq s SER 114 Cb -0.06 -1.24 0.06 0.00 0.21 0.00 0.00 66.02 64.98 3dkq s SER 114 CO 0.00 0.05 0.52 0.00 0.41 0.00 0.00 173.24 174.22 3dkq s ALA 115 N -1.88 -1.31 -0.14 1.44 0.00 -1.26 -1.23 121.76 117.38 3dkq s ALA 115 Ca 0.30 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.88 3dkq s ALA 115 Cb -0.09 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.11 3dkq s ALA 115 CO 0.22 -0.27 -0.18 0.99 0.00 0.00 0.00 175.76 176.52 3dkq s THR 116 N 0.68 1.77 -0.25 0.00 2.01 -0.66 -4.35 115.64 114.83 3dkq s THR 116 Ca -0.03 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 3dkq s THR 116 Cb -0.05 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 3dkq s THR 116 CO -0.05 0.49 0.24 -0.22 -0.69 0.00 0.00 174.62 174.40 3dkq s LEU 117 N 1.10 4.09 -0.03 4.42 2.96 0.85 -1.51 118.68 130.56 3dkq s LEU 117 Ca -0.02 0.18 -0.27 0.00 -0.22 0.00 0.00 54.13 53.80 3dkq s LEU 117 Cb -0.14 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.29 3dkq s LEU 117 CO -0.06 -0.02 0.85 -0.36 -1.32 0.00 0.00 176.35 175.45 3dkq s PHE 118 N 1.39 3.63 -0.03 5.38 0.40 -0.38 -1.11 117.98 127.25 3dkq s PHE 118 Ca 0.11 1.50 0.05 0.00 -0.60 0.00 0.00 56.93 57.99 3dkq s PHE 118 Cb -0.15 -2.98 0.07 0.00 0.51 0.00 0.00 43.02 40.48 3dkq s PHE 118 CO 0.07 0.04 1.03 1.28 0.70 0.00 0.00 175.22 178.35 3dkq n LEU 119 N 3.80 2.07 -4.13 -0.37 4.77 -0.04 -0.21 117.00 122.89 3dkq n LEU 119 Ca 0.03 -2.25 -0.18 0.00 -0.03 0.00 0.00 56.01 53.57 3dkq n LEU 119 Cb 0.51 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 3dkq n LEU 119 CO 0.50 0.55 -0.45 -0.44 -1.33 0.00 0.00 177.39 176.21 3dkq s SER 120 N -1.46 1.51 0.25 -1.43 0.01 -1.03 -4.65 113.70 106.89 3dkq s SER 120 Ca 0.08 -0.51 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 3dkq s SER 120 Cb 0.07 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.14 3dkq s SER 120 CO 0.01 -0.03 1.01 -1.61 0.41 0.00 0.00 173.24 173.02 3dkq s GLU 121 N -1.36 4.76 0.48 12.44 0.41 -1.26 -3.67 118.70 130.50 3dkq s GLU 121 Ca -0.01 1.62 0.14 0.00 -0.41 0.00 0.00 54.97 56.31 3dkq s GLU 121 Cb -0.09 -3.25 1.12 0.00 -1.78 0.00 0.00 34.13 30.14 3dkq s GLU 121 CO 0.01 0.37 2.08 -1.00 -0.49 0.00 0.00 175.26 176.23 3dkq h PRO 122 N 4.12 0.05 0.00 0.39 0.13 -1.84 -1.68 132.00 133.16 3dkq h PRO 122 Ca -0.46 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3dkq h PRO 122 Cb 1.21 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dkq h PRO 122 CO 0.68 0.11 -0.11 0.93 -0.23 0.00 0.00 178.00 179.37 3dkq h GLU 123 N 0.05 0.00 -0.10 0.86 3.07 -1.94 -3.10 114.58 113.43 3dkq h GLU 123 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3dkq h GLU 123 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3dkq h GLU 123 CO 0.01 0.11 0.00 0.09 -1.40 0.00 0.00 179.01 177.82 3dkq n ASN 124 N -3.32 1.34 -3.75 1.42 5.03 -0.63 -4.84 115.26 110.51 3dkq n ASN 124 Ca -0.00 -1.58 -0.12 0.00 0.87 0.00 0.00 54.58 53.74 3dkq n ASN 124 Cb 0.33 -0.06 -0.12 0.00 -1.02 0.00 0.00 39.78 38.91 3dkq n ASN 124 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3dkq s TYR 125 N -1.88 -0.36 -0.20 3.10 1.13 -1.17 -3.94 117.35 114.03 3dkq s TYR 125 Ca 0.34 0.84 -0.18 0.00 -1.41 0.00 0.00 57.07 56.66 3dkq s TYR 125 Cb 0.18 0.11 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 3dkq s TYR 125 CO 0.28 -0.20 0.51 1.14 -2.51 0.00 0.00 175.55 174.77 3dkq s GLN 126 N 0.65 4.19 1.46 -3.49 0.00 -0.68 -4.87 119.66 116.92 3dkq s GLN 126 Ca -0.04 0.40 0.00 0.00 -0.00 0.00 0.00 55.36 55.72 3dkq s GLN 126 Cb -0.05 -3.56 0.00 0.00 0.00 0.00 0.00 33.01 29.40 3dkq s GLN 126 CO -0.04 -0.13 0.00 0.41 0.00 0.00 0.00 175.29 175.53 3dkq n GLY 127 N 3.87 0.24 2.41 2.60 0.00 -1.26 -1.44 105.19 111.60 3dkq n GLY 127 Ca -0.05 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.16 3.75 -0.02 0.00 -0.91 -4.88 105.19 102.97 3dkq n GLY 128 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.84 4.79 -0.57 1.61 2.02 -1.26 -4.72 118.70 115.72 3dkq s GLU 129 Ca 0.00 1.42 -0.21 0.00 0.02 0.00 0.00 54.97 56.20 3dkq s GLU 129 Cb 0.00 -3.29 0.07 0.00 0.10 0.00 0.00 34.13 31.01 3dkq s GLU 129 CO 0.00 0.50 0.80 -1.17 0.02 0.00 0.00 175.26 175.41 3dkq s LEU 130 N -1.05 4.71 -0.26 1.80 2.96 0.02 -1.12 118.68 125.74 3dkq s LEU 130 Ca 0.41 -0.92 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 3dkq s LEU 130 Cb -0.25 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 3dkq s LEU 130 CO 0.31 -1.15 0.35 -0.69 -1.32 0.00 0.00 176.35 173.84 3dkq s VAL 131 N 3.30 5.20 -0.07 1.68 1.01 -0.15 -0.01 120.40 131.36 3dkq s VAL 131 Ca 0.19 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.73 3dkq s VAL 131 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3dkq s VAL 131 CO 0.12 0.19 -0.15 -0.63 0.00 0.00 0.00 175.10 174.62 3dkq s ILE 132 N 1.89 2.93 -0.06 2.22 1.01 -0.14 -1.44 121.20 127.61 3dkq s ILE 132 Ca 0.14 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 3dkq s ILE 132 Cb -0.16 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.19 3dkq s ILE 132 CO 0.09 0.57 0.01 -1.58 0.00 0.00 0.00 174.94 174.04 3dkq s GLN 133 N -0.43 0.44 0.12 2.79 0.74 0.19 -1.22 119.66 122.28 3dkq s GLN 133 Ca 0.05 0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.63 3dkq s GLN 133 Cb -0.12 -0.82 -0.00 0.00 1.10 0.00 0.00 33.01 33.17 3dkq s GLN 133 CO 0.02 -0.28 0.04 -0.40 -0.55 0.00 0.00 175.29 174.12 3dkq n ASP 134 N 5.04 1.06 0.14 6.67 5.68 0.59 -1.95 116.55 133.79 3dkq n ASP 134 Ca -0.09 -1.62 -0.01 0.00 -0.50 0.00 0.00 54.79 52.57 3dkq n ASP 134 Cb 0.50 0.29 0.17 0.00 -1.14 0.00 0.00 41.12 40.94 3dkq n ASP 134 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3dkq h THR 135 N 1.19 1.41 -0.21 2.12 2.02 -2.01 -3.17 112.91 114.26 3dkq h THR 135 Ca -0.09 -2.14 -0.10 0.00 0.77 0.00 0.00 66.41 64.84 3dkq h THR 135 Cb 0.35 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3dkq h THR 135 CO 0.15 0.61 -0.32 1.88 0.37 0.00 0.00 175.52 178.20 3dkq h TYR 136 N 0.00 0.49 0.00 3.16 -1.99 -2.03 -3.49 116.97 113.10 3dkq h TYR 136 Ca -0.01 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.61 3dkq h TYR 136 Cb 1.12 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.73 3dkq h TYR 136 CO 0.00 0.70 0.00 0.41 -0.00 0.00 0.00 178.16 179.27 3dkq n GLY 137 N -0.27 -0.59 3.20 3.88 0.00 -1.20 -5.15 105.19 105.06 3dkq n GLY 137 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.64 0.43 -0.02 1.61 0.74 -1.26 -0.30 119.66 119.22 3dkq s GLN 138 Ca 0.00 0.25 -0.07 0.00 0.05 0.00 0.00 55.36 55.59 3dkq s GLN 138 Cb 0.00 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.32 3dkq s GLN 138 CO 0.00 -0.08 0.16 -0.65 -0.55 0.00 0.00 175.29 174.17 3dkq s GLN 139 N -0.23 0.43 -0.16 1.67 -0.21 -0.36 -5.02 119.66 115.77 3dkq s GLN 139 Ca -0.04 -0.22 -0.08 0.00 0.02 0.00 0.00 55.36 55.05 3dkq s GLN 139 Cb -0.03 0.18 -0.04 0.00 1.00 0.00 0.00 33.01 34.12 3dkq s GLN 139 CO 0.01 -0.10 0.10 -1.12 -2.12 0.00 0.00 175.29 172.06 3dkq s SER 140 N -1.00 5.95 -0.09 5.90 0.01 -1.26 -0.97 113.70 122.25 3dkq s SER 140 Ca -0.11 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.40 3dkq s SER 140 Cb -0.06 -1.98 0.02 0.00 0.21 0.00 0.00 66.02 64.21 3dkq s SER 140 CO 0.01 0.26 -0.12 -0.63 0.41 0.00 0.00 173.24 173.17 3dkq s ILE 141 N -0.11 1.23 -0.47 1.44 -1.09 0.99 -4.93 121.20 118.26 3dkq s ILE 141 Ca 0.09 -0.50 0.06 0.00 -2.23 0.00 0.00 60.65 58.07 3dkq s ILE 141 Cb -0.12 -1.15 0.22 0.00 -1.58 0.00 0.00 42.46 39.84 3dkq s ILE 141 CO 0.01 0.39 0.71 1.17 -1.23 0.00 0.00 174.94 175.99 3dkq n LYS 142 N 4.15 0.64 -1.95 2.79 4.81 -1.26 -0.80 118.16 126.54 3dkq n LYS 142 Ca -0.20 -2.27 -0.30 0.00 -0.87 0.00 0.00 58.31 54.68 3dkq n LYS 142 Cb 0.51 -1.44 0.05 0.00 0.02 0.00 0.00 35.03 34.17 3dkq n LYS 142 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3dkq s LEU 143 N -0.34 2.91 0.64 3.14 1.43 -1.26 -4.71 118.68 120.50 3dkq s LEU 143 Ca 0.32 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 54.29 3dkq s LEU 143 Cb 0.14 -3.82 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 3dkq s LEU 143 CO -0.17 -1.35 1.26 -0.44 0.23 0.00 0.00 176.35 175.88 3dkq s SER 144 N -4.37 4.73 0.12 2.29 0.01 -1.26 -4.29 113.70 110.93 3dkq s SER 144 Ca 0.58 2.52 -0.32 0.00 1.31 0.00 0.00 55.95 60.03 3dkq s SER 144 Cb -0.11 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.39 3dkq s SER 144 CO 0.51 -1.91 1.76 0.00 0.41 0.00 0.00 173.24 174.00 3dkq n ALA 145 N -1.91 1.93 0.00 1.44 0.00 -1.24 -1.24 120.51 119.49 3dkq n ALA 145 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3dkq n ALA 145 Cb 0.49 -2.51 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 3.99 1.10 3.90 0.00 0.00 0.70 -4.79 105.19 110.09 3dkq n GLY 146 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.69 6.46 -0.04 1.61 0.01 -0.37 -0.12 113.70 119.56 3dkq s SER 147 Ca 0.00 0.85 0.05 0.00 1.31 0.00 0.00 55.95 58.16 3dkq s SER 147 Cb 0.00 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.02 3dkq s SER 147 CO 0.00 -0.28 -0.18 -0.22 0.41 0.00 0.00 173.24 172.97 3dkq s LEU 148 N -3.73 1.95 -0.13 2.44 2.96 -0.29 -1.25 118.68 120.63 3dkq s LEU 148 Ca 0.46 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3dkq s LEU 148 Cb -0.10 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3dkq s LEU 148 CO 0.31 0.17 0.02 0.54 -1.32 0.00 0.00 176.35 176.08 3dkq s VAL 149 N -0.07 4.46 -0.16 1.68 0.11 -0.57 -0.41 120.40 125.44 3dkq s VAL 149 Ca -0.02 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3dkq s VAL 149 Cb -0.11 -2.94 0.01 0.00 -1.53 0.00 0.00 36.38 31.82 3dkq s VAL 149 CO 0.02 0.54 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.91 3dkq s LEU 150 N -0.31 2.16 0.04 2.54 2.96 0.15 -1.66 118.68 124.57 3dkq s LEU 150 Ca 0.07 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3dkq s LEU 150 Cb -0.12 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3dkq s LEU 150 CO 0.02 0.04 0.06 -0.72 -1.32 0.00 0.00 176.35 174.44 3dkq s TYR 151 N 1.04 0.26 0.40 5.38 1.13 -0.36 -1.22 117.35 123.97 3dkq s TYR 151 Ca -0.01 -0.61 -0.26 0.00 -1.41 0.00 0.00 57.07 54.78 3dkq s TYR 151 Cb -0.14 -0.19 -0.09 0.00 -1.10 0.00 0.00 41.96 40.44 3dkq s TYR 151 CO -0.07 -0.36 1.26 -2.14 -2.51 0.00 0.00 175.55 171.73 3dkq s PRO 152 N -2.77 4.02 0.25 -3.49 0.02 -1.26 -0.09 135.00 131.69 3dkq s PRO 152 Ca -0.04 2.05 0.24 0.00 0.02 0.00 0.00 61.00 63.28 3dkq s PRO 152 Cb -0.00 -2.76 0.95 0.00 0.02 0.00 0.00 34.50 32.72 3dkq s PRO 152 CO -0.05 -0.41 1.73 0.43 -0.33 0.00 0.00 177.00 178.36 3dkq n SER 153 N 0.17 0.71 0.25 2.53 7.64 -1.16 -3.11 113.62 120.65 3dkq n SER 153 Ca 0.04 0.65 0.16 0.00 1.01 0.00 0.00 58.87 60.73 3dkq n SER 153 Cb 0.44 -0.81 0.58 0.00 -1.01 0.00 0.00 64.21 63.41 3dkq n SER 153 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dkq h SER 154 N 0.00 0.00 -3.93 6.43 4.64 -1.85 -3.28 113.55 115.56 3dkq h SER 154 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3dkq h SER 154 Cb 0.44 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.67 3dkq h SER 154 CO 0.00 0.00 0.57 -1.20 -0.87 0.00 0.00 176.83 175.33 3dkq n SER 155 N -2.98 2.60 -4.68 4.97 7.64 -1.18 -4.87 113.62 115.11 3dkq n SER 155 Ca 0.01 0.99 -0.41 0.00 1.01 0.00 0.00 58.87 60.48 3dkq n SER 155 Cb 0.34 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 61.93 3dkq n SER 155 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3dkq s LEU 156 N -3.08 4.20 0.19 -3.43 2.96 -0.82 -4.46 118.68 114.24 3dkq s LEU 156 Ca 0.70 1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 55.57 3dkq s LEU 156 Cb -0.43 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.15 3dkq s LEU 156 CO 0.51 -0.30 0.43 -1.38 -1.32 0.00 0.00 176.35 174.29 3dkq s HIS 157 N 1.78 0.10 0.21 5.38 -3.43 -0.76 -0.63 115.29 117.93 3dkq s HIS 157 Ca 0.36 -0.45 -0.14 0.00 -0.80 0.00 0.00 55.06 54.02 3dkq s HIS 157 Cb -0.17 0.22 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 3dkq s HIS 157 CO 0.13 -0.85 0.47 1.14 -2.00 0.00 0.00 174.74 173.64 3dkq s GLN 158 N -3.92 1.42 -0.27 -0.38 -2.07 -0.52 -2.00 119.66 111.92 3dkq s GLN 158 Ca 0.13 -1.06 -0.02 0.00 -1.82 0.00 0.00 55.36 52.59 3dkq s GLN 158 Cb 0.01 0.48 0.03 0.00 -1.09 0.00 0.00 33.01 32.44 3dkq s GLN 158 CO -0.01 -0.59 -0.03 0.08 -1.32 0.00 0.00 175.29 173.42 3dkq s VAL 159 N -3.94 2.98 0.72 3.63 1.01 -0.16 -0.98 120.40 123.66 3dkq s VAL 159 Ca 0.15 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 3dkq s VAL 159 Cb -0.00 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.84 3dkq s VAL 159 CO 0.02 0.10 1.12 0.42 0.00 0.00 0.00 175.10 176.76 3dkq s THR 160 N 1.31 3.10 0.45 3.92 -4.23 -0.28 -1.92 115.64 117.99 3dkq s THR 160 Ca -0.01 0.45 -0.25 0.00 -1.18 0.00 0.00 61.69 60.70 3dkq s THR 160 Cb -0.18 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 3dkq s THR 160 CO -0.03 -0.38 1.29 -2.65 -0.54 0.00 0.00 174.62 172.31 3dkq n PRO 161 N -2.95 1.90 -3.24 3.99 -0.02 -1.26 -2.60 135.00 130.81 3dkq n PRO 161 Ca 0.10 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 3dkq n PRO 161 Cb 0.52 -2.43 -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 -1.22 5.01 -0.17 -1.45 1.01 -1.02 -2.14 120.40 120.41 3dkq s VAL 162 Ca 0.63 0.21 0.20 0.00 0.00 0.00 0.00 61.98 63.02 3dkq s VAL 162 Cb -0.48 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 3dkq s VAL 162 CO 0.56 -0.28 0.87 0.18 0.00 0.00 0.00 175.10 176.43 3dkq n LEU 163 N 5.77 0.72 -3.77 3.92 4.77 -0.52 0.89 117.00 128.78 3dkq n LEU 163 Ca -0.05 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 3dkq n LEU 163 Cb 0.49 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 3dkq n LEU 163 CO 0.46 -0.03 -0.05 -0.55 -1.33 0.00 0.00 177.39 175.89 3dkq s SER 164 N -5.40 -0.30 0.37 -1.43 0.15 -1.22 -4.70 113.70 101.16 3dkq s SER 164 Ca -0.03 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3dkq s SER 164 Cb 0.10 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 3dkq s SER 164 CO 0.81 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.76 3dkq n GLY 165 N 3.00 0.10 3.19 9.45 0.00 -1.26 -1.69 105.19 117.98 3dkq n GLY 165 Ca -0.14 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 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 0.59 -0.20 1.61 4.04 -1.25 -4.25 118.70 119.24 3dkq s GLU 166 Ca 0.00 -0.25 0.01 0.00 0.04 0.00 0.00 54.97 54.77 3dkq s GLU 166 Cb 0.00 0.26 0.04 0.00 0.02 0.00 0.00 34.13 34.45 3dkq s GLU 166 CO 0.00 -0.15 -0.12 0.50 -1.84 0.00 0.00 175.26 173.64 3dkq s ARG 167 N -1.31 2.26 -0.08 -4.83 3.52 -0.27 -4.59 118.95 113.64 3dkq s ARG 167 Ca -0.14 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 54.55 3dkq s ARG 167 Cb -0.06 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 3dkq s ARG 167 CO 0.03 -0.40 -0.07 0.99 -0.81 0.00 0.00 175.30 175.04 3dkq s THR 168 N 1.33 3.68 0.15 4.11 2.01 -1.26 -1.01 115.64 124.64 3dkq s THR 168 Ca -0.01 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 3dkq s THR 168 Cb -0.16 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 69.88 3dkq s THR 168 CO -0.09 0.58 0.51 0.00 -0.69 0.00 0.00 174.62 174.93 3dkq s ALA 169 N -0.55 -1.27 -0.19 7.40 0.00 -0.78 -0.86 121.76 125.50 3dkq s ALA 169 Ca 0.08 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 3dkq s ALA 169 Cb -0.12 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3dkq s ALA 169 CO 0.02 -0.72 0.05 0.00 0.00 0.00 0.00 175.76 175.12 3dkq s ALA 170 N -3.78 3.31 0.34 0.00 0.00 -0.27 -1.50 121.76 119.86 3dkq s ALA 170 Ca 0.02 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.23 3dkq s ALA 170 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 3dkq s ALA 170 CO -0.12 0.03 0.02 0.12 0.00 0.00 0.00 175.76 175.81 3dkq s PHE 171 N 0.65 2.55 0.12 0.00 5.36 0.10 -0.11 117.98 126.67 3dkq s PHE 171 Ca 0.03 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.59 3dkq s PHE 171 Cb -0.13 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 41.01 3dkq s PHE 171 CO 0.02 0.47 -0.06 -1.58 -1.46 0.00 0.00 175.22 172.61 3dkq s TRP 173 N -2.51 1.04 -0.06 10.12 0.51 -1.26 -0.29 118.94 126.48 3dkq s TRP 173 Ca 0.35 -0.90 -0.19 0.00 -2.12 0.00 0.00 56.10 53.24 3dkq s TRP 173 Cb -0.00 -0.58 0.04 0.00 -0.81 0.00 0.00 33.47 32.12 3dkq s TRP 173 CO 0.19 -0.11 0.44 -0.48 -0.51 0.00 0.00 176.95 176.48 3dkq s LEU 174 N -3.10 0.34 -0.17 2.99 0.05 0.44 -0.78 118.68 118.46 3dkq s LEU 174 Ca 0.15 0.46 -0.13 0.00 0.05 0.00 0.00 54.13 54.66 3dkq s LEU 174 Cb 0.05 1.65 -0.05 0.00 -2.05 0.00 0.00 46.19 45.79 3dkq s LEU 174 CO -0.02 -0.41 0.24 -1.58 -0.55 0.00 0.00 176.35 174.03 3dkq s GLN 175 N -0.88 4.21 0.00 1.48 0.74 -0.12 -1.51 119.66 123.58 3dkq s GLN 175 Ca -0.09 -0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.31 3dkq s GLN 175 Cb -0.03 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.66 3dkq s GLN 175 CO 0.05 0.27 0.00 0.45 -0.55 0.00 0.00 175.29 175.51 3dkq n SER 176 N 3.50 0.00 0.00 6.67 2.88 -1.26 -0.47 113.62 124.94 3dkq n SER 176 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 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 0.06 2.46 0.31 -1.26 -4.63 118.33 115.27 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 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.10 -6.36 5.55 2.43 -1.93 -3.44 114.38 110.53 3dkq h ARG 179 Ca 0.00 0.01 -0.55 0.00 -0.81 0.00 0.00 59.98 58.63 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 0.08 0.72 0.34 -1.51 0.00 0.00 179.97 179.60 3dkq s ASP 180 N -5.25 6.99 0.20 -3.80 2.15 -1.26 -4.93 116.67 110.76 3dkq s ASP 180 Ca -0.14 1.95 -0.10 0.00 0.43 0.00 0.00 52.55 54.68 3dkq s ASP 180 Cb 0.04 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.24 3dkq s ASP 180 CO 0.65 -0.61 1.85 -0.08 -0.17 0.00 0.00 175.17 176.81 3dkq h GLU 181 N 7.46 0.99 -0.27 4.34 4.81 -1.99 -1.09 114.58 128.84 3dkq h GLU 181 Ca -0.37 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 3dkq h GLU 181 Cb 1.18 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 3dkq h GLU 181 CO 0.88 0.69 0.11 0.78 -0.73 0.00 0.00 179.01 180.74 3dkq h GLY 182 N 1.00 0.34 1.15 1.92 0.00 -1.98 0.22 103.07 105.71 3dkq h GLY 182 Ca 0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3dkq h GLY 182 CO -0.05 0.05 0.17 1.46 0.00 0.00 0.00 176.54 178.17 3dkq h GLN 183 N 0.24 1.06 -0.45 4.80 4.20 -1.91 -1.96 115.11 121.08 3dkq h GLN 183 Ca 0.12 -0.24 -0.12 0.00 0.06 0.00 0.00 58.65 58.46 3dkq h GLN 183 Cb 0.07 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3dkq h GLN 183 CO -0.10 0.93 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.69 3dkq h ARG 184 N 1.01 0.91 -0.28 1.46 2.43 -0.70 -1.31 114.38 117.90 3dkq h ARG 184 Ca 0.21 -0.38 -0.14 0.00 -0.81 0.00 0.00 59.98 58.87 3dkq h ARG 184 Cb 0.35 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3dkq h ARG 184 CO -0.00 1.03 -0.40 0.00 -1.51 0.00 0.00 179.97 179.09 3dkq h ARG 185 N 0.79 0.67 -0.28 0.20 -0.00 -0.87 -1.61 114.38 113.29 3dkq h ARG 185 Ca 0.11 -0.35 -0.01 0.00 -0.50 0.00 0.00 59.98 59.22 3dkq h ARG 185 Cb 0.76 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.73 3dkq h ARG 185 CO 0.06 0.96 0.12 1.25 0.00 0.00 0.00 179.97 182.36 3dkq h LEU 186 N 0.55 0.37 -0.41 3.04 6.46 -1.18 0.40 115.31 124.55 3dkq h LEU 186 Ca 0.05 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3dkq h LEU 186 Cb 0.93 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.73 3dkq h LEU 186 CO 0.08 0.42 0.21 -0.07 -0.62 0.00 0.00 178.44 178.47 3dkq h LEU 187 N 0.30 0.31 -0.58 2.25 3.38 -1.17 -0.93 115.31 118.88 3dkq h LEU 187 Ca 0.09 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3dkq h LEU 187 Cb 0.16 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3dkq h LEU 187 CO -0.01 0.23 0.32 0.15 0.09 0.00 0.00 178.44 179.22 3dkq h PHE 188 N 0.43 0.60 -0.27 1.13 3.57 -1.09 0.14 116.94 121.44 3dkq h PHE 188 Ca 0.17 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 3dkq h PHE 188 Cb 0.07 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3dkq h PHE 188 CO -0.09 0.31 -0.32 0.37 -2.23 0.00 0.00 178.31 176.34 3dkq h GLN 189 N 0.62 0.56 -0.19 1.11 5.75 -0.51 -1.19 115.11 121.26 3dkq h GLN 189 Ca 0.25 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3dkq h GLN 189 Cb 0.10 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3dkq h GLN 189 CO -0.14 0.82 -0.03 1.25 -2.65 0.00 0.00 178.83 178.08 3dkq h LEU 190 N 0.48 0.35 -0.47 -2.39 5.85 -0.79 -2.15 115.31 116.19 3dkq h LEU 190 Ca 0.06 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3dkq h LEU 190 Cb 0.80 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3dkq h LEU 190 CO 0.07 0.61 0.25 -0.78 -0.34 0.00 0.00 178.44 178.25 3dkq h ASP 191 N 0.08 0.37 0.13 1.25 3.58 -0.60 -1.51 116.42 119.72 3dkq h ASP 191 Ca 0.05 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 3dkq h ASP 191 Cb 0.45 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3dkq h ASP 191 CO 0.02 0.26 -0.26 1.56 -2.88 0.00 0.00 179.24 177.94 3dkq h GLN 192 N 0.49 0.22 -0.36 0.28 1.08 -1.19 0.40 115.11 116.03 3dkq h GLN 192 Ca 0.20 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 3dkq h GLN 192 Cb 0.08 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3dkq h GLN 192 CO -0.12 0.47 -0.05 0.77 -0.95 0.00 0.00 178.83 178.94 3dkq h SER 193 N 0.20 0.67 -0.35 1.46 0.02 -1.05 -1.31 113.55 113.18 3dkq h SER 193 Ca 0.03 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3dkq h SER 193 Cb 0.56 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3dkq h SER 193 CO 0.04 0.85 0.18 0.40 -1.14 0.00 0.00 176.83 177.16 3dkq h ILE 194 N 0.47 0.99 -0.54 3.27 2.04 -0.76 0.49 117.51 123.48 3dkq h ILE 194 Ca 0.10 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3dkq h ILE 194 Cb 0.54 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3dkq h ILE 194 CO 0.03 0.07 0.30 1.56 0.00 0.00 0.00 178.15 180.11 3dkq h GLN 195 N 0.37 0.74 -0.50 2.37 1.08 -0.86 -0.22 115.11 118.09 3dkq h GLN 195 Ca 0.15 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3dkq h GLN 195 Cb 0.05 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3dkq h GLN 195 CO -0.10 0.56 0.18 0.77 -0.95 0.00 0.00 178.83 179.30 3dkq h SER 196 N 0.72 0.70 -0.58 1.46 0.02 -0.95 -1.58 113.55 113.33 3dkq h SER 196 Ca 0.19 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3dkq h SER 196 Cb 0.03 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 3dkq h SER 196 CO -0.03 0.70 0.17 -0.07 -1.14 0.00 0.00 176.83 176.45 3dkq h LEU 197 N 0.66 0.89 -0.30 5.07 3.38 -0.71 -0.49 115.31 123.82 3dkq h LEU 197 Ca 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkq h LEU 197 Cb 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dkq h LEU 197 CO -0.01 0.86 0.19 0.74 0.09 0.00 0.00 178.44 180.31 3dkq h THR 198 N 0.92 1.08 -0.52 0.22 2.02 -0.79 -1.71 112.91 114.12 3dkq h THR 198 Ca 0.20 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3dkq h THR 198 Cb 0.30 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3dkq h THR 198 CO -0.00 0.08 0.20 0.00 0.37 0.00 0.00 175.52 176.16 3dkq h ALA 199 N 1.10 1.37 -0.02 6.16 0.00 -1.01 -2.37 119.26 124.49 3dkq h ALA 199 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dkq h ALA 199 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3dkq h ALA 199 CO -0.02 0.47 0.00 1.04 0.00 0.00 0.00 179.25 180.74 3dkq n GLN 200 N -4.33 1.12 -3.44 0.00 6.02 -0.22 -4.94 117.38 111.60 3dkq n GLN 200 Ca 0.04 -0.18 -0.19 0.00 -0.01 0.00 0.00 57.00 56.65 3dkq n GLN 200 Cb 0.17 -1.34 0.08 0.00 1.02 0.00 0.00 30.24 30.16 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 -0.64 -4.09 -1.23 5.09 -1.04 -0.74 -5.00 114.28 106.63 3dkq n THR 201 Ca 0.16 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.05 61.64 3dkq n THR 201 Cb 0.12 -4.29 0.10 0.00 -1.82 0.00 0.00 70.33 64.43 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 -3.32 2.21 0.04 2.41 0.00 -0.72 -4.92 121.76 117.47 3dkq s ALA 202 Ca 0.30 0.28 -0.36 0.00 0.00 0.00 0.00 51.96 52.17 3dkq s ALA 202 Cb -0.13 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 3dkq s ALA 202 CO 0.68 -1.82 1.50 0.00 0.00 0.00 0.00 175.76 176.12 3dkq n ALA 203 N -3.56 -0.14 -0.32 0.00 0.00 -1.26 -4.84 120.51 110.39 3dkq n ALA 203 Ca 0.09 0.46 0.09 0.00 0.00 0.00 0.00 53.44 54.08 3dkq n ALA 203 Cb 0.53 -2.20 0.29 0.00 0.00 0.00 0.00 19.45 18.07 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 5.60 0.86 -0.66 0.00 4.81 -2.00 -1.65 114.58 121.55 3dkq h GLU 204 Ca -0.47 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3dkq h GLU 204 Cb 1.31 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 3dkq h GLU 204 CO 0.84 0.57 0.36 0.37 -0.73 0.00 0.00 179.01 180.42 3dkq h GLN 205 N 0.89 0.91 -0.02 1.92 5.75 -1.99 -0.83 115.11 121.73 3dkq h GLN 205 Ca 0.47 -0.10 -0.21 0.00 -0.15 0.00 0.00 58.65 58.66 3dkq h GLN 205 Cb 0.54 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3dkq h GLN 205 CO -0.23 0.67 -0.86 0.93 -2.65 0.00 0.00 178.83 176.69 3dkq h GLU 206 N 0.92 0.37 -0.57 1.69 4.39 -1.69 -0.91 114.58 118.78 3dkq h GLU 206 Ca 0.23 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3dkq h GLU 206 Cb 0.03 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3dkq h GLU 206 CO -0.04 1.03 0.27 -0.07 -1.16 0.00 0.00 179.01 179.04 3dkq h LEU 207 N 0.22 0.75 -0.40 1.33 3.38 -1.02 -1.18 115.31 118.39 3dkq h LEU 207 Ca -0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 3dkq h LEU 207 Cb 1.48 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 3dkq h LEU 207 CO 0.15 0.67 0.07 -0.26 0.09 0.00 0.00 178.44 179.16 3dkq h PHE 208 N 0.77 0.69 -0.36 1.13 0.04 -1.10 -0.88 116.94 117.23 3dkq h PHE 208 Ca 0.19 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3dkq h PHE 208 Cb 0.12 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3dkq h PHE 208 CO -0.00 0.68 0.21 -0.91 -0.60 0.00 0.00 178.31 177.68 3dkq h ASN 209 N 0.50 0.34 -0.58 2.17 2.35 -0.96 -0.31 115.58 119.10 3dkq h ASN 209 Ca 0.12 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 3dkq h ASN 209 Cb 0.35 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3dkq h ASN 209 CO 0.01 0.24 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.93 3dkq h LEU 210 N 0.43 1.03 -1.23 1.61 3.38 -1.17 -1.93 115.31 117.41 3dkq h LEU 210 Ca 0.14 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3dkq h LEU 210 Cb 0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3dkq h LEU 210 CO -0.07 1.10 0.34 0.28 0.09 0.00 0.00 178.44 180.18 3dkq h SER 211 N 0.93 0.77 -0.65 -0.43 0.02 -0.89 -0.44 113.55 112.86 3dkq h SER 211 Ca 0.16 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3dkq h SER 211 Cb 0.59 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3dkq h SER 211 CO 0.04 0.63 0.43 1.23 -1.14 0.00 0.00 176.83 178.01 3dkq h GLY 212 N 0.94 0.91 0.99 -3.77 0.00 -0.65 -0.04 103.07 101.45 3dkq h GLY 212 Ca 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3dkq h GLY 212 CO -0.04 0.33 0.16 -2.08 0.00 0.00 0.00 176.54 174.92 3dkq h VAL 213 N 0.88 1.07 0.12 4.60 2.07 -0.54 -1.70 116.25 122.75 3dkq h VAL 213 Ca 0.24 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3dkq h VAL 213 Cb -0.10 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3dkq h VAL 213 CO -0.05 0.07 -0.28 0.22 0.02 0.00 0.00 177.57 177.55 3dkq h TYR 214 N 0.33 -0.76 -0.69 1.57 3.20 -0.79 -0.69 116.97 119.14 3dkq h TYR 214 Ca 0.09 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.12 3dkq h TYR 214 Cb -0.02 0.32 -0.11 0.00 1.54 0.00 0.00 36.73 38.46 3dkq h TYR 214 CO -0.06 -0.39 0.09 1.25 -1.64 0.00 0.00 178.16 177.42 3dkq h HIS 215 N -0.50 0.13 0.07 -3.82 2.76 -0.91 -0.36 115.15 112.52 3dkq h HIS 215 Ca 0.03 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3dkq h HIS 215 Cb 0.53 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.54 3dkq h HIS 215 CO -0.26 -0.13 -0.03 -0.97 -1.30 0.00 0.00 177.93 175.24 3dkq h ASN 216 N 0.20 -0.08 -0.77 3.26 -0.73 -0.84 -0.63 115.58 115.99 3dkq h ASN 216 Ca 0.37 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.44 3dkq h ASN 216 Cb 0.63 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.20 3dkq h ASN 216 CO -0.52 0.05 0.49 -0.07 -0.37 0.00 0.00 177.43 177.01 3dkq h LEU 217 N -0.21 0.90 -0.46 0.34 3.38 -0.61 0.75 115.31 119.40 3dkq h LEU 217 Ca -0.01 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3dkq h LEU 217 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3dkq h LEU 217 CO 0.02 0.67 0.07 0.25 0.09 0.00 0.00 178.44 179.54 3dkq h LEU 218 N 1.05 0.74 -1.38 1.67 5.85 -0.99 -0.64 115.31 121.60 3dkq h LEU 218 Ca 0.28 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3dkq h LEU 218 Cb -0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3dkq h LEU 218 CO -0.06 0.82 0.18 0.03 -0.34 0.00 0.00 178.44 179.07 3dkq h ARG 219 N 0.64 0.60 -0.09 1.25 3.08 -0.73 -1.42 114.38 117.71 3dkq h ARG 219 Ca 0.14 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 3dkq h ARG 219 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3dkq h ARG 219 CO 0.01 0.49 -0.65 0.00 -1.07 0.00 0.00 179.97 178.75 3dkq h ARG 220 N 0.60 0.36 0.00 0.04 3.08 -0.05 -3.38 114.38 115.02 3dkq h ARG 220 Ca 0.15 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3dkq h ARG 220 Cb 0.11 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3dkq h ARG 220 CO -0.02 0.89 -1.00 0.91 -1.07 0.00 0.00 179.97 179.68 3dkq n TRP 221 N -3.87 0.00 -2.27 3.04 8.01 -0.32 -5.02 117.44 117.01 3dkq n TRP 221 Ca -0.03 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.80 3dkq n TRP 221 Cb 0.66 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.31 29.85 3dkq n TRP 221 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3dkq s SER 222 N -2.83 5.97 -0.16 -0.99 1.04 -0.55 -4.55 113.70 111.63 3dkq s SER 222 Ca 0.03 2.23 -0.03 0.00 0.48 0.00 0.00 55.95 58.66 3dkq s SER 222 Cb 0.11 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.69 3dkq s SER 222 CO 0.64 -1.05 0.04 -1.61 0.98 0.00 0.00 173.24 172.23 3dkq s GLU 223 N -2.99 0.53 0.00 4.02 2.02 -1.26 -4.99 118.70 116.03 3dkq s GLU 223 Ca 0.68 -0.22 0.20 0.00 0.02 0.00 0.00 54.97 55.65 3dkq s GLU 223 Cb -0.26 -1.76 0.16 0.00 0.10 0.00 0.00 34.13 32.37 3dkq s GLU 223 CO 0.31 -0.56 1.13 1.28 0.02 0.00 0.00 175.26 177.44