#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx s SER 2 N 0.00 4.74 0.14 1.61 0.15 -1.26 -5.14 113.70 113.94 2dkx s SER 2 Ca 0.00 -0.36 0.06 0.00 0.70 0.00 0.00 55.95 56.34 2dkx s SER 2 Cb 0.00 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.26 2dkx s SER 2 CO 0.00 0.12 -0.13 -0.44 1.20 0.00 0.00 173.24 173.99 2dkx s SER 3 N -2.71 1.99 0.00 5.45 0.01 -1.26 -5.15 113.70 112.02 2dkx s SER 3 Ca 0.26 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2dkx s SER 3 Cb -0.10 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2dkx s SER 3 CO 0.18 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2dkx n GLY 4 N 0.21 0.83 3.12 3.44 0.00 -1.26 -5.01 105.19 106.52 2dkx n GLY 4 Ca -0.13 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2dkx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkx n SER 5 N 0.00 -2.76 -3.98 1.61 7.64 -1.26 -4.91 113.62 109.96 2dkx n SER 5 Ca 0.00 -0.05 -0.34 0.00 1.01 0.00 0.00 58.87 59.48 2dkx n SER 5 Cb 0.00 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 2dkx n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dkx n SER 6 N 1.23 4.22 0.10 6.43 3.41 -1.26 -4.76 113.62 122.99 2dkx n SER 6 Ca -0.01 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 2dkx n SER 6 Cb 0.70 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkx n GLY 7 N 1.96 -0.31 0.17 5.00 0.00 -1.26 -4.85 105.19 105.91 2dkx n GLY 7 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 2dkx n GLY 7 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2dkx h LEU 8 N 0.00 0.00 -1.67 0.99 8.10 -1.90 -2.84 115.31 117.98 2dkx h LEU 8 Ca 0.00 0.00 0.32 0.00 0.11 0.00 0.00 57.88 58.31 2dkx h LEU 8 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.18 2dkx h LEU 8 CO 0.00 0.00 0.98 0.11 -4.11 0.00 0.00 178.44 175.42 2dkx h LYS 9 N 0.00 0.00 0.00 0.17 1.79 -1.88 1.50 116.57 118.15 2dkx h LYS 9 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 2dkx h LYS 9 Cb 0.06 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2dkx h LYS 9 CO 0.00 0.00 -1.56 -3.47 -1.08 0.00 0.00 179.45 173.34 2dkx n ASP 10 N -3.70 0.85 0.18 0.86 2.03 -1.07 -4.16 116.55 111.53 2dkx n ASP 10 Ca 0.24 0.39 -0.15 0.00 0.52 0.00 0.00 54.79 55.79 2dkx n ASP 10 Cb 1.33 0.09 -0.08 0.00 -0.72 0.00 0.00 41.12 41.74 2dkx n ASP 10 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2dkx h ILE 11 N 0.00 0.72 -0.88 5.18 2.04 0.19 -2.75 117.51 122.01 2dkx h ILE 11 Ca -0.22 -0.04 0.18 0.00 1.00 0.00 0.00 64.86 65.78 2dkx h ILE 11 Cb 1.78 0.75 -0.11 0.00 -0.74 0.00 0.00 36.82 38.50 2dkx h ILE 11 CO 0.06 0.01 0.44 1.05 0.00 0.00 0.00 178.15 179.71 2dkx h GLU 12 N -0.41 0.54 -0.41 2.37 4.11 -1.63 0.34 114.58 119.49 2dkx h GLU 12 Ca -0.04 -0.03 0.12 0.00 0.07 0.00 0.00 59.36 59.48 2dkx h GLU 12 Cb 0.31 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2dkx h GLU 12 CO 0.06 0.36 0.31 1.15 0.07 0.00 0.00 179.01 180.96 2dkx h THR 13 N 0.55 0.73 0.00 -1.06 2.02 -1.65 0.35 112.91 113.86 2dkx h THR 13 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.69 2dkx h THR 13 Cb 0.83 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2dkx h THR 13 CO -0.42 0.00 -0.59 0.00 0.37 0.00 0.00 175.52 174.87 2dkx n ALA 14 N -2.58 3.15 0.91 6.16 0.00 0.11 -3.70 120.51 124.56 2dkx n ALA 14 Ca 0.07 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.33 2dkx n ALA 14 Cb 0.50 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.81 2dkx n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkx h LYS 16 N 0.00 -0.43 0.00 0.00 1.57 -1.16 0.59 116.57 117.15 2dkx h LYS 16 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dkx h LYS 16 Cb 0.55 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2dkx h LYS 16 CO 0.00 -0.19 0.00 1.47 -0.57 0.00 0.00 179.45 180.16 2dkx n LEU 17 N -5.07 0.00 -0.02 2.94 -0.00 -1.26 -2.25 117.00 111.34 2dkx n LEU 17 Ca -0.07 0.24 0.05 0.00 -0.00 0.00 0.00 56.01 56.24 2dkx n LEU 17 Cb 0.22 -0.24 -0.14 0.00 -0.00 0.00 0.00 43.42 43.26 2dkx n LEU 17 CO 0.18 -0.10 -0.79 0.18 -0.00 0.00 0.00 177.39 176.87 2dkx n LEU 18 N -1.24 0.00 -2.39 1.47 4.77 -1.21 -5.00 117.00 113.40 2dkx n LEU 18 Ca 0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 2dkx n LEU 18 Cb 0.13 0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 2dkx n LEU 18 CO 0.13 0.09 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.05 2dkx n ASN 19 N -2.23 -5.22 -4.85 -1.43 5.15 0.16 -5.01 115.26 101.83 2dkx n ASN 19 Ca -0.08 -0.20 -0.30 0.00 -0.60 0.00 0.00 54.58 53.39 2dkx n ASN 19 Cb 0.59 -4.11 -0.04 0.00 -0.53 0.00 0.00 39.78 35.70 2dkx n ASN 19 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2dkx s ILE 20 N -3.02 1.27 -0.12 -1.44 -4.36 -0.96 -5.06 121.20 107.50 2dkx s ILE 20 Ca 0.21 -1.76 -0.14 0.00 -0.26 0.00 0.00 60.65 58.70 2dkx s ILE 20 Cb -0.09 -2.03 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 2dkx s ILE 20 CO 0.26 0.00 0.32 0.28 0.24 0.00 0.00 174.94 176.03 2dkx s THR 21 N -2.86 5.26 0.52 8.37 -1.32 -1.26 -4.79 115.64 119.57 2dkx s THR 21 Ca 0.16 0.61 0.38 0.00 -1.21 0.00 0.00 61.69 61.62 2dkx s THR 21 Cb -0.01 -3.64 0.58 0.00 -1.51 0.00 0.00 72.50 67.92 2dkx s THR 21 CO 0.10 0.44 1.73 0.00 -2.21 0.00 0.00 174.62 174.69 2dkx h ALA 22 N 6.12 3.19 -2.13 11.08 0.00 -1.94 -3.38 119.26 132.20 2dkx h ALA 22 Ca -0.45 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 2dkx h ALA 22 Cb 1.18 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2dkx h ALA 22 CO 0.71 -1.61 0.76 0.34 0.00 0.00 0.00 179.25 179.45 2dkx s ASP 23 N -4.82 7.12 0.27 0.00 -1.08 -1.26 -4.84 116.67 112.05 2dkx s ASP 23 Ca -0.06 1.45 0.05 0.00 -0.52 0.00 0.00 52.55 53.47 2dkx s ASP 23 Cb 0.25 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.53 2dkx s ASP 23 CO 0.83 -0.63 1.65 1.55 0.52 0.00 0.00 175.17 179.09 2dkx h PRO 24 N 7.44 0.28 0.00 4.34 0.13 -1.87 -2.63 132.00 139.69 2dkx h PRO 24 Ca -0.23 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2dkx h PRO 24 Cb 1.08 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2dkx h PRO 24 CO 0.95 0.69 0.00 -1.33 -0.23 0.00 0.00 178.00 178.08 2dkx n MET 25 N -3.99 0.23 0.00 0.86 2.81 -1.25 -1.78 117.12 114.00 2dkx n MET 25 Ca -0.02 0.13 0.07 0.00 -1.81 0.00 0.00 57.70 56.07 2dkx n MET 25 Cb 0.52 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.53 2dkx n MET 25 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2dkx n ASP 26 N -1.28 1.42 -4.54 7.83 9.92 -1.00 -3.02 116.55 125.88 2dkx n ASP 26 Ca 0.08 -1.21 -0.17 0.00 -0.53 0.00 0.00 54.79 52.95 2dkx n ASP 26 Cb 0.13 0.48 -0.12 0.00 -0.64 0.00 0.00 41.12 40.96 2dkx n ASP 26 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2dkx n TRP 27 N -0.20 0.78 -3.84 1.24 8.01 -0.74 -4.83 117.44 117.87 2dkx n TRP 27 Ca 0.05 -0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.15 2dkx n TRP 27 Cb 0.28 -1.93 -0.08 0.00 -2.01 0.00 0.00 31.31 27.57 2dkx n TRP 27 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2dkx s SER 28 N 7.36 0.06 0.07 -0.99 0.01 -1.26 -1.55 113.70 117.41 2dkx s SER 28 Ca 1.07 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 57.65 2dkx s SER 28 Cb -0.39 0.33 -0.11 0.00 0.21 0.00 0.00 66.02 66.05 2dkx s SER 28 CO 0.25 -0.66 1.38 1.55 0.41 0.00 0.00 173.24 176.18 2dkx h PRO 29 N 3.03 0.53 0.00 12.44 0.13 -2.03 -3.37 132.00 142.73 2dkx h PRO 29 Ca -0.33 -0.27 -0.04 0.00 -0.87 0.00 0.00 66.00 64.48 2dkx h PRO 29 Cb 1.20 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 2dkx h PRO 29 CO 0.52 0.86 -0.60 0.43 -0.23 0.00 0.00 178.00 178.98 2dkx n SER 30 N -4.42 1.55 -0.15 1.44 7.64 -1.26 -4.80 113.62 113.62 2dkx n SER 30 Ca -0.05 -3.39 0.27 0.00 1.01 0.00 0.00 58.87 56.71 2dkx n SER 30 Cb 0.41 -0.47 0.72 0.00 -1.01 0.00 0.00 64.21 63.86 2dkx n SER 30 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2dkx h ASN 31 N 0.93 0.01 -0.83 6.43 4.21 -1.74 -1.10 115.58 123.49 2dkx h ASN 31 Ca -0.05 0.00 0.21 0.00 1.21 0.00 0.00 56.30 57.66 2dkx h ASN 31 Cb 1.21 -0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.28 2dkx h ASN 31 CO 0.02 0.00 0.17 0.58 -1.29 0.00 0.00 177.43 176.92 2dkx h VAL 32 N 0.01 0.35 -0.67 2.81 2.07 -1.87 0.73 116.25 119.68 2dkx h VAL 32 Ca 0.40 -0.07 0.19 0.00 0.82 0.00 0.00 66.70 68.04 2dkx h VAL 32 Cb 1.60 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2dkx h VAL 32 CO -0.01 0.04 0.48 1.56 0.02 0.00 0.00 177.57 179.65 2dkx h GLN 33 N 0.20 0.04 -0.00 1.57 1.08 -1.56 -0.87 115.11 115.57 2dkx h GLN 33 Ca 0.50 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 2dkx h GLN 33 Cb 0.95 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 2dkx h GLN 33 CO -0.63 0.03 -0.02 0.87 -0.95 0.00 0.00 178.83 178.13 2dkx h LYS 34 N 0.05 0.02 -0.00 1.46 1.57 0.31 -2.88 116.57 117.09 2dkx h LYS 34 Ca 0.32 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2dkx h LYS 34 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2dkx h LYS 34 CO -0.02 0.66 0.00 2.35 -0.57 0.00 0.00 179.45 181.87 2dkx h TRP 35 N -0.62 0.00 0.00 -1.35 7.01 -0.94 -2.32 115.95 117.73 2dkx h TRP 35 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dkx h TRP 35 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 2dkx h TRP 35 CO 0.15 0.00 0.00 1.28 -2.79 0.00 0.00 178.44 177.08 2dkx n LEU 36 N -4.38 0.28 -0.33 0.65 4.77 -0.44 -3.30 117.00 114.26 2dkx n LEU 36 Ca -0.03 0.67 0.36 0.00 -0.03 0.00 0.00 56.01 56.98 2dkx n LEU 36 Cb 0.09 -0.40 0.69 0.00 -2.33 0.00 0.00 43.42 41.47 2dkx n LEU 36 CO 0.32 -0.40 1.33 0.17 -1.33 0.00 0.00 177.39 177.49 2dkx h LEU 37 N 0.00 0.00 0.00 2.23 8.10 -1.51 0.27 115.31 124.40 2dkx h LEU 37 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2dkx h LEU 37 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2dkx h LEU 37 CO 0.00 0.00 0.00 1.87 -4.11 0.00 0.00 178.44 176.20 2dkx n TRP 38 N -3.80 0.00 0.13 0.17 -0.00 -0.88 -2.30 117.44 110.77 2dkx n TRP 38 Ca 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.76 2dkx n TRP 38 Cb 1.42 -0.35 0.22 0.00 -0.00 0.00 0.00 31.31 32.61 2dkx n TRP 38 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 2dkx h THR 39 N 0.00 1.36 -0.81 5.87 2.02 -1.37 -2.95 112.91 117.03 2dkx h THR 39 Ca 0.00 -1.73 0.22 0.00 0.77 0.00 0.00 66.41 65.68 2dkx h THR 39 Cb 0.00 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 2dkx h THR 39 CO 0.00 0.50 0.57 -0.08 0.37 0.00 0.00 175.52 176.89 2dkx h GLU 40 N 0.08 0.08 0.00 6.66 4.81 -0.51 0.77 114.58 126.46 2dkx h GLU 40 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dkx h GLU 40 Cb 0.91 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2dkx h GLU 40 CO 0.07 0.05 -0.56 1.25 -0.73 0.00 0.00 179.01 179.09 2dkx h HIS 41 N 0.08 0.00 0.00 0.92 2.76 -1.27 0.26 115.15 117.89 2dkx h HIS 41 Ca 0.39 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.50 2dkx h HIS 41 Cb 1.44 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 2dkx h HIS 41 CO -0.00 0.00 -1.13 1.96 -1.30 0.00 0.00 177.93 177.46 2dkx h GLN 42 N 0.00 0.00 -0.04 5.26 4.20 0.37 -3.35 115.11 121.55 2dkx h GLN 42 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dkx h GLN 42 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2dkx h GLN 42 CO 0.00 0.11 0.00 0.66 -0.67 0.00 0.00 178.83 178.93 2dkx n TYR 43 N -2.76 0.05 -3.53 2.96 4.02 0.30 -5.01 117.16 113.19 2dkx n TYR 43 Ca -0.03 -0.15 -0.20 0.00 -0.01 0.00 0.00 57.90 57.51 2dkx n TYR 43 Cb 0.65 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 40.02 2dkx n TYR 43 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2dkx n ARG 44 N 0.14 -4.48 -3.86 -0.72 3.00 -0.46 -5.00 116.66 105.29 2dkx n ARG 44 Ca 0.03 0.72 -0.23 0.00 -0.01 0.00 0.00 57.85 58.36 2dkx n ARG 44 Cb 0.17 -5.39 -0.02 0.00 0.00 0.00 0.00 32.46 27.22 2dkx n ARG 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dkx s LEU 45 N -6.31 4.27 0.88 0.55 1.43 0.78 -5.03 118.68 115.26 2dkx s LEU 45 Ca 0.14 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 2dkx s LEU 45 Cb -0.03 -2.96 0.12 0.00 0.03 0.00 0.00 46.19 43.34 2dkx s LEU 45 CO 0.78 -0.07 1.09 -2.16 0.23 0.00 0.00 176.35 176.22 2dkx s PRO 46 N -3.78 1.40 -0.64 1.29 0.04 -1.26 -4.79 135.00 127.25 2dkx s PRO 46 Ca 0.35 0.87 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 2dkx s PRO 46 Cb -0.10 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2dkx s PRO 46 CO 0.30 -2.15 1.87 -1.25 0.04 0.00 0.00 177.00 175.80 2dkx s PRO 47 N -4.93 2.62 0.16 0.56 0.04 -1.26 -4.79 135.00 127.39 2dkx s PRO 47 Ca 0.63 0.53 0.23 0.00 0.04 0.00 0.00 61.00 62.43 2dkx s PRO 47 Cb -0.18 -4.45 0.06 0.00 0.04 0.00 0.00 34.50 29.98 2dkx s PRO 47 CO 0.57 -2.79 1.08 -1.33 0.04 0.00 0.00 177.00 174.56 2dkx n MET 48 N 9.16 0.50 -0.31 4.56 2.81 -1.26 -4.25 117.12 128.33 2dkx n MET 48 Ca 0.22 0.09 0.16 0.00 -1.81 0.00 0.00 57.70 56.36 2dkx n MET 48 Cb 0.52 -1.76 0.33 0.00 -0.71 0.00 0.00 33.22 31.60 2dkx n MET 48 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2dkx h GLY 49 N 4.17 1.45 1.59 3.03 0.00 -1.92 1.11 103.07 112.50 2dkx h GLY 49 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2dkx h GLY 49 CO 0.00 -0.47 0.08 1.70 0.00 0.00 0.00 176.54 177.85 2dkx h LYS 50 N 0.12 0.52 0.00 4.80 3.64 -1.99 1.29 116.57 124.95 2dkx h LYS 50 Ca 0.61 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.73 2dkx h LYS 50 Cb 1.30 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2dkx h LYS 50 CO -0.75 0.49 -0.95 0.00 -2.27 0.00 0.00 179.45 175.97 2dkx h ALA 51 N 1.58 0.56 -0.03 5.00 0.00 0.70 -3.26 119.26 123.80 2dkx h ALA 51 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2dkx h ALA 51 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dkx h ALA 51 CO -0.00 1.00 -0.05 1.19 0.00 0.00 0.00 179.25 181.39 2dkx n PHE 52 N -3.21 0.00 -0.35 0.00 3.01 0.18 -4.42 117.46 112.67 2dkx n PHE 52 Ca -0.02 0.00 0.25 0.00 1.01 0.00 0.00 57.45 58.69 2dkx n PHE 52 Cb 0.86 -0.00 0.52 0.00 -0.01 0.00 0.00 39.48 40.85 2dkx n PHE 52 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2dkx h GLN 53 N 4.24 0.33 0.00 -1.08 3.07 0.16 1.21 115.11 123.04 2dkx h GLN 53 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2dkx h GLN 53 Cb 0.93 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.41 2dkx h GLN 53 CO 0.00 0.22 -0.43 1.05 0.09 0.00 0.00 178.83 179.75 2dkx h GLU 54 N 0.34 0.00 -7.02 0.06 4.11 -1.84 -3.46 114.58 106.77 2dkx h GLU 54 Ca 0.67 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.64 2dkx h GLU 54 Cb 1.72 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 2dkx h GLU 54 CO -0.38 0.00 0.30 -0.51 0.07 0.00 0.00 179.01 178.49 2dkx s LEU 55 N -5.24 3.91 0.36 3.06 1.43 0.42 -5.08 118.68 117.53 2dkx s LEU 55 Ca 0.05 1.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 2dkx s LEU 55 Cb 0.09 -4.45 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 2dkx s LEU 55 CO 0.70 -0.37 0.08 0.00 0.23 0.00 0.00 176.35 177.00 2dkx s ALA 56 N -2.23 2.56 0.19 4.21 0.00 -1.26 -4.89 121.76 120.35 2dkx s ALA 56 Ca 0.60 -1.70 -0.20 0.00 0.00 0.00 0.00 51.96 50.65 2dkx s ALA 56 Cb -0.09 0.70 0.13 0.00 0.00 0.00 0.00 23.12 23.86 2dkx s ALA 56 CO 0.17 -0.32 1.59 0.78 0.00 0.00 0.00 175.76 177.98 2dkx h GLY 57 N 2.00 -0.08 0.66 0.00 0.00 -1.40 -0.47 103.07 103.79 2dkx h GLY 57 Ca -0.39 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2dkx h GLY 57 CO 0.65 -0.21 -0.36 0.07 0.00 0.00 0.00 176.54 176.68 2dkx h LYS 58 N -0.16 -0.75 -0.25 4.80 2.10 -1.64 -2.53 116.57 118.14 2dkx h LYS 58 Ca 0.24 0.05 0.03 0.00 -2.00 0.00 0.00 60.65 58.97 2dkx h LYS 58 Cb 0.55 0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 31.99 2dkx h LYS 58 CO -0.68 -0.50 -0.37 0.93 -2.00 0.00 0.00 179.45 176.83 2dkx h GLU 59 N -0.78 -0.27 -0.95 0.07 4.39 -1.73 0.39 114.58 115.70 2dkx h GLU 59 Ca -0.03 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.82 2dkx h GLU 59 Cb 0.69 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 29.25 2dkx h GLU 59 CO -0.04 -0.18 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.13 2dkx h LEU 60 N -0.28 -1.58 -1.83 1.33 4.07 -1.06 1.75 115.31 117.71 2dkx h LEU 60 Ca 0.04 0.31 -0.03 0.00 0.08 0.00 0.00 57.88 58.28 2dkx h LEU 60 Cb 0.40 0.79 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 2dkx h LEU 60 CO -0.39 -0.28 -0.14 0.00 -1.08 0.00 0.00 178.44 176.55 2dkx n ALA 62 N -2.37 3.20 -1.92 0.00 0.00 0.50 -4.90 120.51 115.00 2dkx n ALA 62 Ca -0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 2dkx n ALA 62 Cb 0.23 -1.20 0.14 0.00 0.00 0.00 0.00 19.45 18.62 2dkx n ALA 62 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dkx s MET 63 N -3.03 1.22 0.10 0.00 1.00 0.39 -5.02 119.30 113.96 2dkx s MET 63 Ca 0.11 -0.26 0.09 0.00 0.00 0.00 0.00 55.69 55.63 2dkx s MET 63 Cb 0.17 -1.92 -0.04 0.00 0.00 0.00 0.00 34.83 33.05 2dkx s MET 63 CO 0.67 -2.03 -0.22 -1.12 0.00 0.00 0.00 175.02 172.32 2dkx s SER 64 N -4.76 2.63 0.13 3.03 0.01 -1.26 -5.00 113.70 108.49 2dkx s SER 64 Ca 0.69 -0.69 -0.20 0.00 1.31 0.00 0.00 55.95 57.06 2dkx s SER 64 Cb -0.07 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.03 2dkx s SER 64 CO 0.51 0.08 1.14 1.21 0.41 0.00 0.00 173.24 176.59 2dkx n GLU 65 N 1.09 -0.28 -0.31 12.44 2.13 -1.26 0.20 120.64 134.66 2dkx n GLU 65 Ca -0.19 1.13 0.10 0.00 0.66 0.00 0.00 57.16 58.86 2dkx n GLU 65 Cb 0.53 -1.66 0.27 0.00 0.27 0.00 0.00 31.44 30.85 2dkx n GLU 65 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2dkx h GLU 66 N 0.00 0.54 -0.29 5.31 4.22 -1.97 -0.44 114.58 121.94 2dkx h GLU 66 Ca 0.16 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.58 2dkx h GLU 66 Cb 0.35 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2dkx h GLU 66 CO -0.71 0.36 0.18 1.96 -2.18 0.00 0.00 179.01 178.61 2dkx h GLN 67 N 0.55 0.35 0.00 1.92 1.08 0.19 -0.20 115.11 119.00 2dkx h GLN 67 Ca 0.52 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 2dkx h GLN 67 Cb 0.85 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2dkx h GLN 67 CO -0.43 0.23 -0.04 0.74 -0.95 0.00 0.00 178.83 178.38 2dkx h PHE 68 N 0.36 0.00 0.00 2.96 -1.00 -0.03 -0.85 116.94 118.38 2dkx h PHE 68 Ca 0.11 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.83 2dkx h PHE 68 Cb -0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2dkx h PHE 68 CO -0.07 0.04 -0.85 0.00 -1.61 0.00 0.00 178.31 175.82 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.44 -2.10 114.38 116.43 2dkx h ARG 69 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2dkx h ARG 69 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2dkx h ARG 69 CO 0.01 0.16 -0.32 1.96 -1.07 0.00 0.00 179.97 180.70 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.42 -3.15 115.11 113.50 2dkx h GLN 70 Ca -0.04 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.97 2dkx h GLN 70 Cb 1.22 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 2dkx h GLN 70 CO 0.02 0.32 -1.97 2.89 -0.95 0.00 0.00 178.83 179.14 2dkx n ARG 71 N -3.99 1.13 -3.72 1.46 1.85 -1.19 -4.83 116.66 107.37 2dkx n ARG 71 Ca -0.02 -0.06 -0.30 0.00 -1.00 0.00 0.00 57.85 56.48 2dkx n ARG 71 Cb 0.38 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.25 2dkx n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dkx s SER 72 N -4.60 3.81 -0.02 2.89 0.15 -0.79 -4.97 113.70 110.16 2dkx s SER 72 Ca -0.07 -2.20 -0.25 0.00 0.70 0.00 0.00 55.95 54.12 2dkx s SER 72 Cb 0.07 -0.96 -0.20 0.00 -1.71 0.00 0.00 66.02 63.22 2dkx s SER 72 CO 0.66 -0.33 1.24 1.55 1.20 0.00 0.00 173.24 177.56 2dkx h PRO 73 N 7.31 -0.05 0.00 5.44 0.13 -1.81 0.35 132.00 143.37 2dkx h PRO 73 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2dkx h PRO 73 Cb 0.97 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dkx h PRO 73 CO 0.47 0.43 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.56 2dkx h LEU 74 N -0.53 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.37 2dkx h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dkx h LEU 74 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dkx h LEU 74 CO 0.01 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2dkx n GLY 75 N -0.79 0.49 5.76 0.83 0.00 -1.17 -4.91 105.19 105.40 2dkx n GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dkx n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkx n GLY 76 N 4.48 0.40 0.34 -0.02 0.00 0.12 -2.33 105.19 108.17 2dkx n GLY 76 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.37 2dkx n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkx n ASP 77 N 1.84 -0.27 -0.28 1.61 2.03 -1.26 0.13 116.55 120.34 2dkx n ASP 77 Ca 0.00 1.62 0.07 0.00 0.52 0.00 0.00 54.79 57.00 2dkx n ASP 77 Cb 0.00 -0.52 0.22 0.00 -0.72 0.00 0.00 41.12 40.10 2dkx n ASP 77 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2dkx h VAL 78 N 0.00 0.69 0.76 5.18 3.04 -1.84 0.37 116.25 124.46 2dkx h VAL 78 Ca 0.49 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.95 2dkx h VAL 78 Cb 0.84 0.09 0.01 0.00 -2.01 0.00 0.00 31.29 30.21 2dkx h VAL 78 CO -0.95 0.10 -0.37 -0.07 -1.01 0.00 0.00 177.57 175.27 2dkx h LEU 79 N 0.55 -0.87 -2.51 3.16 3.38 0.84 0.27 115.31 120.13 2dkx h LEU 79 Ca 0.45 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.47 2dkx h LEU 79 Cb 0.67 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2dkx h LEU 79 CO -0.39 -0.50 0.14 -0.74 0.09 0.00 0.00 178.44 177.04 2dkx h HIS 80 N -1.26 0.00 0.00 1.13 2.76 -1.01 -0.19 115.15 116.58 2dkx h HIS 80 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2dkx h HIS 80 Cb 0.79 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2dkx h HIS 80 CO 0.00 0.00 -0.06 0.00 -1.30 0.00 0.00 177.93 176.57 2dkx h ALA 81 N 1.76 0.00 0.00 5.26 0.00 -0.03 -3.06 119.26 123.19 2dkx h ALA 81 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dkx h ALA 81 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dkx h ALA 81 CO -0.00 0.06 0.16 1.58 0.00 0.00 0.00 179.25 181.05 2dkx n HIS 82 N -2.87 0.48 0.07 0.00 -0.00 0.94 -0.67 115.22 113.17 2dkx n HIS 82 Ca -0.01 0.25 -0.23 0.00 -0.00 0.00 0.00 57.72 57.73 2dkx n HIS 82 Cb 0.03 -0.79 -0.15 0.00 -0.00 0.00 0.00 29.99 29.08 2dkx n HIS 82 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2dkx h LEU 83 N 0.00 0.60 -0.93 0.27 5.85 -1.16 -3.35 115.31 116.59 2dkx h LEU 83 Ca 0.00 -0.94 0.27 0.00 0.84 0.00 0.00 57.88 58.06 2dkx h LEU 83 Cb 0.32 -0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.00 2dkx h LEU 83 CO 0.00 1.78 0.33 -0.78 -0.34 0.00 0.00 178.44 179.43 2dkx h ASP 84 N 0.08 0.12 -0.86 1.25 1.82 -0.78 0.77 116.42 118.83 2dkx h ASP 84 Ca -0.35 0.21 0.09 0.00 -0.39 0.00 0.00 57.03 56.59 2dkx h ASP 84 Cb 2.08 0.25 -0.06 0.00 0.68 0.00 0.00 39.33 42.28 2dkx h ASP 84 CO 0.17 -0.19 0.56 0.40 -1.61 0.00 0.00 179.24 178.57 2dkx h ILE 85 N 0.21 0.99 0.06 2.25 5.03 -1.70 0.15 117.51 124.49 2dkx h ILE 85 Ca 0.63 -0.30 -0.00 0.00 -0.12 0.00 0.00 64.86 65.07 2dkx h ILE 85 Cb 1.35 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 2dkx h ILE 85 CO -0.67 0.16 -0.03 -0.50 -0.68 0.00 0.00 178.15 176.43 2dkx h TRP 86 N 0.86 -0.07 -0.94 1.37 4.06 0.34 -2.78 115.95 118.79 2dkx h TRP 86 Ca 0.39 -0.00 0.27 0.00 2.06 0.00 0.00 58.89 61.61 2dkx h TRP 86 Cb 0.36 0.02 -0.14 0.00 -1.00 0.00 0.00 29.16 28.40 2dkx h TRP 86 CO -0.00 -0.04 0.40 1.57 -3.56 0.00 0.00 178.44 176.81 2dkx h LYS 87 N -0.23 0.28 -0.69 0.49 2.10 -1.29 0.67 116.57 117.89 2dkx h LYS 87 Ca -0.01 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2dkx h LYS 87 Cb 0.06 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.29 2dkx h LYS 87 CO 0.01 0.18 0.42 1.03 -2.00 0.00 0.00 179.45 179.10 2dkx h SER 88 N 0.29 0.83 1.27 7.07 0.87 -0.82 0.32 113.55 123.38 2dkx h SER 88 Ca 0.64 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 61.04 2dkx h SER 88 Cb 1.36 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2dkx h SER 88 CO -0.62 0.64 -0.48 0.00 -0.53 0.00 0.00 176.83 175.84 2dkx h ALA 89 N 1.22 0.76 0.00 6.23 0.00 0.11 -3.12 119.26 124.46 2dkx h ALA 89 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dkx h ALA 89 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2dkx h ALA 89 CO -0.05 0.59 -0.38 0.00 0.00 0.00 0.00 179.25 179.42 2dkx h ALA 90 N 1.52 0.77 -0.50 0.00 0.00 0.69 -3.32 119.26 118.43 2dkx h ALA 90 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2dkx h ALA 90 Cb 1.24 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 2dkx h ALA 90 CO 0.06 0.00 0.42 0.45 0.00 0.00 0.00 179.25 180.19 2dkx n SER 91 N -2.45 6.02 0.00 0.00 2.88 0.11 -5.01 113.62 115.17 2dkx n SER 91 Ca 0.04 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 2dkx n SER 91 Cb 0.47 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2dkx n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkx n GLY 92 N 0.18 0.75 3.73 0.46 0.00 -1.25 -4.58 105.19 104.49 2dkx n GLY 92 Ca 0.31 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2dkx n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkx s PRO 93 N 0.00 4.39 -0.39 1.61 0.04 -1.26 -4.77 135.00 134.61 2dkx s PRO 93 Ca 0.00 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2dkx s PRO 93 Cb 0.00 -3.21 0.44 0.00 0.04 0.00 0.00 34.50 31.78 2dkx s PRO 93 CO 0.00 -0.27 1.27 -1.13 0.04 0.00 0.00 177.00 176.91 2dkx n SER 94 N 2.81 5.19 -0.05 6.66 3.41 -1.26 -4.74 113.62 125.64 2dkx n SER 94 Ca 0.07 -3.75 -0.19 0.00 -0.26 0.00 0.00 58.87 54.73 2dkx n SER 94 Cb 0.43 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.79 2dkx n SER 94 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dkx h SER 95 N 2.34 0.14 0.00 4.04 0.02 -1.98 -3.55 113.55 114.56 2dkx h SER 95 Ca 0.37 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2dkx h SER 95 Cb 1.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2dkx h SER 95 CO 0.89 1.40 0.00 0.61 -1.14 0.00 0.00 176.83 178.58