#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx n SER 2 N 0.00 1.49 -4.13 1.61 2.88 -1.26 -4.90 113.62 109.30 2dkx n SER 2 Ca 0.00 0.53 -0.29 0.00 -1.33 0.00 0.00 58.87 57.77 2dkx n SER 2 Cb 0.00 -1.10 0.22 0.00 -0.75 0.00 0.00 64.21 62.58 2dkx n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dkx s SER 3 N 6.75 1.54 0.00 -3.46 1.04 -1.26 -5.01 113.70 113.30 2dkx s SER 3 Ca 1.14 0.81 0.00 0.00 0.48 0.00 0.00 55.95 58.39 2dkx s SER 3 Cb -1.15 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2dkx s SER 3 CO 0.57 -3.76 0.00 0.61 0.98 0.00 0.00 173.24 171.64 2dkx n GLY 4 N -1.06 -1.89 3.27 7.32 0.00 -1.26 -5.04 105.19 106.53 2dkx n GLY 4 Ca 0.10 0.54 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.46 -4.82 -3.68 1.61 7.64 -1.26 -5.01 113.62 106.65 2dkx n SER 5 Ca 0.00 -0.49 -0.13 0.00 1.01 0.00 0.00 58.87 59.26 2dkx n SER 5 Cb 0.00 -4.47 -0.08 0.00 -1.01 0.00 0.00 64.21 58.64 2dkx n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkx s SER 6 N -3.52 -0.62 0.00 6.43 1.04 -1.26 -4.91 113.70 110.86 2dkx s SER 6 Ca 0.38 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.97 2dkx s SER 6 Cb -0.17 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.12 2dkx s SER 6 CO 0.64 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.26 2dkx n GLY 7 N 2.99 2.49 0.00 7.32 0.00 -1.26 -4.61 105.19 112.12 2dkx n GLY 7 Ca -0.15 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.29 2dkx n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dkx n LEU 8 N 0.00 0.00 -0.56 0.99 -0.00 -1.26 -3.91 117.00 112.26 2dkx n LEU 8 Ca 0.00 0.36 0.45 0.00 -0.00 0.00 0.00 56.01 56.82 2dkx n LEU 8 Cb 0.00 -0.36 0.74 0.00 -0.00 0.00 0.00 43.42 43.80 2dkx n LEU 8 CO 0.00 -0.01 1.34 0.11 -0.00 0.00 0.00 177.39 178.84 2dkx h LYS 9 N 0.00 0.02 0.00 1.47 1.79 -1.91 1.91 116.57 119.85 2dkx h LYS 9 Ca 0.00 -0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 2dkx h LYS 9 Cb 0.35 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2dkx h LYS 9 CO 0.00 0.01 -1.65 -0.25 -1.08 0.00 0.00 179.45 176.48 2dkx n ASP 10 N -4.38 0.58 -0.10 0.86 8.00 -1.25 -4.27 116.55 115.99 2dkx n ASP 10 Ca 0.41 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 56.07 2dkx n ASP 10 Cb 1.72 0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 43.40 2dkx n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dkx h ILE 11 N 0.00 1.13 -0.76 0.53 2.04 0.28 -2.72 117.51 118.00 2dkx h ILE 11 Ca -0.20 -0.32 0.14 0.00 1.00 0.00 0.00 64.86 65.48 2dkx h ILE 11 Cb 1.58 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 2dkx h ILE 11 CO 0.03 0.13 0.33 1.05 0.00 0.00 0.00 178.15 179.69 2dkx h GLU 12 N 0.41 0.47 0.00 2.37 4.11 -1.47 0.42 114.58 120.89 2dkx h GLU 12 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 2dkx h GLU 12 Cb 0.04 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2dkx h GLU 12 CO -0.02 0.31 -0.02 1.15 0.07 0.00 0.00 179.01 180.51 2dkx h THR 13 N 0.49 0.11 0.00 -1.06 2.02 -1.68 -0.67 112.91 112.12 2dkx h THR 13 Ca 0.41 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.36 2dkx h THR 13 Cb 0.60 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2dkx h THR 13 CO -0.38 0.02 -0.76 0.00 0.37 0.00 0.00 175.52 174.76 2dkx n ALA 14 N -2.13 3.42 0.92 6.16 0.00 0.14 -3.85 120.51 125.18 2dkx n ALA 14 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.17 2dkx n ALA 14 Cb 0.16 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.13 -0.39 0.00 1.57 -1.53 0.34 116.57 116.43 2dkx h LYS 16 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2dkx h LYS 16 Cb 0.54 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2dkx h LYS 16 CO 0.00 -0.08 0.26 1.37 -0.57 0.00 0.00 179.45 180.43 2dkx h LEU 17 N -0.64 0.38 0.00 2.94 -0.00 -1.79 -1.33 115.31 114.87 2dkx h LEU 17 Ca -0.01 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 2dkx h LEU 17 Cb 0.10 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2dkx h LEU 17 CO 0.02 0.26 -0.94 -0.07 -0.00 0.00 0.00 178.44 177.72 2dkx h LEU 18 N 0.44 0.00 0.17 0.17 3.38 -1.69 -3.48 115.31 114.30 2dkx h LEU 18 Ca 0.16 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.78 2dkx h LEU 18 Cb 0.08 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.91 2dkx h LEU 18 CO -0.04 0.44 -0.54 -3.20 0.09 0.00 0.00 178.44 175.19 2dkx n ASN 19 N -3.00 -5.60 -3.93 -0.43 2.85 0.11 -5.01 115.26 100.26 2dkx n ASN 19 Ca -0.03 -0.33 -0.19 0.00 -0.11 0.00 0.00 54.58 53.92 2dkx n ASN 19 Cb 0.75 -4.35 -0.01 0.00 1.24 0.00 0.00 39.78 37.41 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2dkx n ILE 20 N -4.46 0.00 -3.36 -1.44 -5.35 -0.75 -5.01 119.36 98.99 2dkx n ILE 20 Ca -0.06 -1.53 -0.34 0.00 -0.27 0.00 0.00 62.75 60.55 2dkx n ILE 20 Cb 0.58 -0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 2dkx n ILE 20 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dkx s THR 21 N -1.95 4.86 -0.86 7.28 -1.32 -1.26 -4.76 115.64 117.62 2dkx s THR 21 Ca 0.17 0.72 0.10 0.00 -1.21 0.00 0.00 61.69 61.47 2dkx s THR 21 Cb -0.01 -3.69 0.09 0.00 -1.51 0.00 0.00 72.50 67.39 2dkx s THR 21 CO 0.11 0.09 1.32 0.00 -2.21 0.00 0.00 174.62 173.94 2dkx n ALA 22 N 0.37 1.34 -2.60 11.08 0.00 -1.26 -4.51 120.51 124.92 2dkx n ALA 22 Ca -0.02 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 2dkx n ALA 22 Cb 0.52 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 2dkx n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dkx s ASP 23 N -3.23 6.09 0.28 0.00 -1.08 -1.26 -4.66 116.67 112.81 2dkx s ASP 23 Ca 0.03 0.08 0.07 0.00 -0.52 0.00 0.00 52.55 52.21 2dkx s ASP 23 Cb 0.05 -2.14 0.42 0.00 -1.46 0.00 0.00 42.92 39.79 2dkx s ASP 23 CO 0.17 -0.07 1.67 1.55 0.52 0.00 0.00 175.17 179.00 2dkx h PRO 24 N 8.23 0.21 0.00 4.34 0.13 -1.87 -2.61 132.00 140.42 2dkx h PRO 24 Ca -0.34 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dkx h PRO 24 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dkx h PRO 24 CO 0.59 0.64 0.00 -1.33 -0.23 0.00 0.00 178.00 177.66 2dkx n MET 25 N -3.98 0.24 0.00 0.86 2.81 -1.25 -1.98 117.12 113.82 2dkx n MET 25 Ca -0.02 0.12 0.07 0.00 -1.81 0.00 0.00 57.70 56.06 2dkx n MET 25 Cb 0.51 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.48 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 -1.30 1.11 -4.48 7.83 9.92 -0.99 -2.99 116.55 125.64 2dkx n ASP 26 Ca 0.08 -1.05 -0.50 0.00 -0.53 0.00 0.00 54.79 52.79 2dkx n ASP 26 Cb 0.15 0.73 -0.06 0.00 -0.64 0.00 0.00 41.12 41.30 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 -0.74 1.70 -3.57 1.24 8.01 -0.84 -4.86 117.44 118.38 2dkx n TRP 27 Ca 0.04 0.22 -0.05 0.00 -1.31 0.00 0.00 57.50 56.40 2dkx n TRP 27 Cb 0.27 -2.56 -0.02 0.00 -2.01 0.00 0.00 31.31 26.99 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 7.14 -0.20 0.21 -0.99 0.01 -1.26 -1.16 113.70 117.45 2dkx s SER 28 Ca 1.07 -0.02 -0.03 0.00 1.31 0.00 0.00 55.95 58.28 2dkx s SER 28 Cb -0.79 0.23 0.18 0.00 0.21 0.00 0.00 66.02 65.84 2dkx s SER 28 CO 0.48 -0.37 1.57 1.55 0.41 0.00 0.00 173.24 176.88 2dkx h PRO 29 N 2.00 0.60 -0.30 12.44 0.13 -2.03 -3.37 132.00 141.47 2dkx h PRO 29 Ca -0.15 -0.31 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 2dkx h PRO 29 Cb 1.19 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 2dkx h PRO 29 CO 0.26 0.91 -0.87 0.43 -0.23 0.00 0.00 178.00 178.49 2dkx n SER 30 N -4.02 2.31 -0.06 1.44 7.64 -1.26 -4.83 113.62 114.83 2dkx n SER 30 Ca -0.02 -2.92 0.03 0.00 1.01 0.00 0.00 58.87 56.97 2dkx n SER 30 Cb 0.53 -0.41 0.37 0.00 -1.01 0.00 0.00 64.21 63.69 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 1.70 0.58 -0.94 6.43 4.21 -1.79 -2.72 115.58 123.06 2dkx h ASN 31 Ca 0.00 -0.02 0.24 0.00 1.21 0.00 0.00 56.30 57.73 2dkx h ASN 31 Cb 1.43 -0.15 -0.17 0.00 -1.12 0.00 0.00 38.32 38.31 2dkx h ASN 31 CO 0.26 0.43 0.02 0.58 -1.29 0.00 0.00 177.43 177.44 2dkx h VAL 32 N 0.68 0.10 -0.97 2.81 2.07 -1.88 0.75 116.25 119.81 2dkx h VAL 32 Ca 0.18 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.91 2dkx h VAL 32 Cb -0.06 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 29.65 2dkx h VAL 32 CO -0.04 0.01 0.55 1.56 0.02 0.00 0.00 177.57 179.67 2dkx h GLN 33 N 0.04 0.57 -0.13 1.57 1.08 -1.85 0.10 115.11 116.50 2dkx h GLN 33 Ca 0.55 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 2dkx h GLN 33 Cb 1.09 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 2dkx h GLN 33 CO -0.86 0.38 0.05 0.87 -0.95 0.00 0.00 178.83 178.32 2dkx h LYS 34 N 0.59 0.20 0.00 1.46 1.57 0.35 -1.62 116.57 119.13 2dkx h LYS 34 Ca 0.60 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2dkx h LYS 34 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2dkx h LYS 34 CO -0.46 0.31 0.00 2.35 -0.57 0.00 0.00 179.45 181.08 2dkx h TRP 35 N 0.05 0.00 0.00 -1.35 7.01 -0.82 -2.25 115.95 118.59 2dkx h TRP 35 Ca 0.04 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2dkx h TRP 35 Cb 0.19 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2dkx h TRP 35 CO -0.01 0.00 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.54 2dkx h LEU 36 N 0.00 0.00 -2.66 0.65 3.38 -0.27 -3.27 115.31 113.14 2dkx h LEU 36 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dkx h LEU 36 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2dkx h LEU 36 CO 0.00 0.54 0.00 0.17 0.09 0.00 0.00 178.44 179.24 2dkx h LEU 37 N -1.00 0.00 0.00 1.67 8.10 -1.30 0.08 115.31 122.86 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 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.31 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 -3.02 0.00 0.20 0.17 -0.00 -0.85 -2.42 117.44 111.52 2dkx n TRP 38 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.51 2dkx n TRP 38 Cb 0.10 -0.34 0.42 0.00 -0.00 0.00 0.00 31.31 31.49 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 1.21 0.00 5.87 2.02 -1.60 -2.10 112.91 118.31 2dkx h THR 39 Ca 0.00 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 2dkx h THR 39 Cb 0.00 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2dkx h THR 39 CO 0.00 0.29 -0.01 -0.08 0.37 0.00 0.00 175.52 176.09 2dkx h GLU 40 N 0.00 0.00 0.00 6.66 4.22 -1.07 0.36 114.58 124.75 2dkx h GLU 40 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2dkx h GLU 40 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2dkx h GLU 40 CO 0.04 0.01 -0.72 1.58 -2.18 0.00 0.00 179.01 177.74 2dkx n HIS 41 N -3.18 0.32 0.17 0.92 -0.00 -0.79 -1.31 115.22 111.36 2dkx n HIS 41 Ca -0.02 0.09 0.10 0.00 0.46 0.00 0.00 57.72 58.35 2dkx n HIS 41 Cb 0.15 -0.48 -0.14 0.00 -0.12 0.00 0.00 29.99 29.40 2dkx n HIS 41 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2dkx n GLN 42 N -1.91 0.62 0.00 1.57 6.02 -0.18 -4.36 117.38 119.14 2dkx n GLN 42 Ca 0.03 -0.14 0.04 0.00 -0.01 0.00 0.00 57.00 56.92 2dkx n GLN 42 Cb 0.41 -1.45 0.02 0.00 1.02 0.00 0.00 30.24 30.23 2dkx n GLN 42 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2dkx n TYR 43 N -2.04 0.00 -3.45 1.08 4.02 -0.06 -5.01 117.16 111.70 2dkx n TYR 43 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.69 2dkx n TYR 43 Cb 0.47 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.88 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 0.09 -6.63 -3.41 -0.72 3.00 -0.86 -5.00 116.66 103.13 2dkx n ARG 44 Ca 0.04 0.84 -0.27 0.00 -0.01 0.00 0.00 57.85 58.46 2dkx n ARG 44 Cb 0.18 -5.85 -0.02 0.00 0.00 0.00 0.00 32.46 26.77 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 -6.41 4.07 1.03 0.55 1.43 -0.42 -5.04 118.68 113.88 2dkx s LEU 45 Ca 0.02 0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 2dkx s LEU 45 Cb -0.01 -3.39 0.21 0.00 0.03 0.00 0.00 46.19 43.03 2dkx s LEU 45 CO 0.73 -0.21 1.09 -2.16 0.23 0.00 0.00 176.35 176.04 2dkx s PRO 46 N -3.80 0.17 -0.56 1.29 0.04 -1.26 -4.84 135.00 126.03 2dkx s PRO 46 Ca 0.41 0.43 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 2dkx s PRO 46 Cb -0.10 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2dkx s PRO 46 CO 0.32 -2.89 1.83 -1.25 0.04 0.00 0.00 177.00 175.05 2dkx s PRO 47 N -5.01 2.77 0.02 0.56 0.04 -1.26 -4.80 135.00 127.33 2dkx s PRO 47 Ca 0.66 0.74 0.20 0.00 0.04 0.00 0.00 61.00 62.64 2dkx s PRO 47 Cb -0.18 -4.34 -0.19 0.00 0.04 0.00 0.00 34.50 29.83 2dkx s PRO 47 CO 0.58 -2.55 0.64 -1.33 0.04 0.00 0.00 177.00 174.37 2dkx n MET 48 N 9.03 0.64 -0.42 4.56 2.81 -1.26 -4.31 117.12 128.16 2dkx n MET 48 Ca 0.21 0.04 0.37 0.00 -1.81 0.00 0.00 57.70 56.50 2dkx n MET 48 Cb 0.51 -1.68 0.64 0.00 -0.71 0.00 0.00 33.22 31.99 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 3.91 1.68 1.24 3.03 0.00 -1.94 1.47 103.07 112.45 2dkx h GLY 49 Ca -0.15 -0.12 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2dkx h GLY 49 CO 0.02 -0.58 -0.33 1.70 0.00 0.00 0.00 176.54 177.34 2dkx h LYS 50 N 0.02 0.85 0.01 4.80 3.64 -1.98 1.20 116.57 125.10 2dkx h LYS 50 Ca 0.86 -0.41 -0.19 0.00 -1.27 0.00 0.00 60.65 59.64 2dkx h LYS 50 Cb 2.60 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.40 2dkx h LYS 50 CO -0.56 1.05 -0.87 0.00 -2.27 0.00 0.00 179.45 176.79 2dkx h ALA 51 N 0.91 0.54 -0.31 5.00 0.00 0.16 -3.18 119.26 122.38 2dkx h ALA 51 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2dkx h ALA 51 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2dkx h ALA 51 CO 0.08 0.98 0.00 1.19 0.00 0.00 0.00 179.25 181.50 2dkx n PHE 52 N -3.60 0.39 -0.28 0.00 3.01 0.10 -4.46 117.46 112.62 2dkx n PHE 52 Ca -0.02 -0.21 0.27 0.00 1.01 0.00 0.00 57.45 58.50 2dkx n PHE 52 Cb 0.81 -0.00 0.62 0.00 -0.01 0.00 0.00 39.48 40.91 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 4.23 0.19 0.00 -1.08 3.07 0.15 0.35 115.11 122.02 2dkx h GLN 53 Ca 0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 58.65 58.57 2dkx h GLN 53 Cb 0.94 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.43 2dkx h GLN 53 CO 0.00 0.13 -1.43 -0.85 0.09 0.00 0.00 178.83 176.77 2dkx n GLU 54 N -4.41 0.62 -1.82 0.06 0.28 -1.26 -4.92 120.64 109.19 2dkx n GLU 54 Ca 0.23 0.21 -0.33 0.00 -0.16 0.00 0.00 57.16 57.10 2dkx n GLU 54 Cb 0.97 -1.80 0.04 0.00 1.43 0.00 0.00 31.44 32.09 2dkx n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dkx s LEU 55 N -5.73 3.43 0.00 -1.84 1.43 0.12 -5.06 118.68 111.03 2dkx s LEU 55 Ca -0.03 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 2dkx s LEU 55 Cb 0.09 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 2dkx s LEU 55 CO 0.81 -1.57 0.11 0.00 0.23 0.00 0.00 176.35 175.93 2dkx n ALA 56 N -2.30 0.43 0.11 4.21 0.00 -1.26 -4.90 120.51 116.80 2dkx n ALA 56 Ca 0.10 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.88 2dkx n ALA 56 Cb 0.52 1.04 -0.06 0.00 0.00 0.00 0.00 19.45 20.94 2dkx n ALA 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dkx h GLY 57 N 1.21 -0.65 0.48 0.00 0.00 -1.26 -1.23 103.07 101.63 2dkx h GLY 57 Ca -0.24 0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2dkx h GLY 57 CO 0.37 -0.25 -0.29 0.07 0.00 0.00 0.00 176.54 176.44 2dkx h LYS 58 N -0.56 -0.49 -0.10 4.80 2.10 -1.64 -2.59 116.57 118.09 2dkx h LYS 58 Ca 0.03 0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.73 2dkx h LYS 58 Cb 0.59 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.01 2dkx h LYS 58 CO -0.20 -0.33 -0.22 0.93 -2.00 0.00 0.00 179.45 177.63 2dkx h GLU 59 N -0.51 -0.20 -0.89 0.07 4.39 -1.87 0.66 114.58 116.23 2dkx h GLU 59 Ca 0.03 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.83 2dkx h GLU 59 Cb 0.54 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 2dkx h GLU 59 CO -0.17 -0.13 -0.50 1.28 -1.16 0.00 0.00 179.01 178.32 2dkx n LEU 60 N -3.75 -0.90 0.24 1.33 4.32 -0.48 0.20 117.00 117.96 2dkx n LEU 60 Ca -0.02 1.58 0.07 0.00 -0.02 0.00 0.00 56.01 57.62 2dkx n LEU 60 Cb 0.15 -0.22 0.57 0.00 -1.62 0.00 0.00 43.42 42.29 2dkx n LEU 60 CO 0.02 -1.31 0.94 0.00 -1.22 0.00 0.00 177.39 175.83 2dkx n ALA 62 N -2.48 2.71 -1.97 0.00 0.00 0.54 -4.87 120.51 114.45 2dkx n ALA 62 Ca -0.02 -0.20 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 2dkx n ALA 62 Cb 0.21 -1.37 0.13 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.76 1.34 0.08 0.00 1.00 0.33 -5.01 119.30 114.28 2dkx s MET 63 Ca 0.20 -0.79 0.08 0.00 0.00 0.00 0.00 55.69 55.18 2dkx s MET 63 Cb 0.19 -2.14 -0.03 0.00 0.00 0.00 0.00 34.83 32.85 2dkx s MET 63 CO 0.53 -1.79 -0.20 -1.12 0.00 0.00 0.00 175.02 172.44 2dkx s SER 64 N -4.78 2.45 0.14 3.03 0.01 -1.26 -5.01 113.70 108.28 2dkx s SER 64 Ca 0.69 -0.64 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 2dkx s SER 64 Cb -0.05 -0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.07 2dkx s SER 64 CO 0.47 0.07 1.11 1.21 0.41 0.00 0.00 173.24 176.52 2dkx n GLU 65 N 1.31 -0.26 -0.31 12.44 2.13 -1.26 0.22 120.64 134.91 2dkx n GLU 65 Ca -0.19 1.10 0.11 0.00 0.66 0.00 0.00 57.16 58.84 2dkx n GLU 65 Cb 0.54 -1.62 0.28 0.00 0.27 0.00 0.00 31.44 30.90 2dkx n GLU 65 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2dkx h GLU 66 N 0.00 0.50 -0.71 5.31 5.08 -1.97 0.83 114.58 123.61 2dkx h GLU 66 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2dkx h GLU 66 Cb 0.35 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2dkx h GLU 66 CO -0.69 0.33 0.39 1.96 -1.00 0.00 0.00 179.01 180.00 2dkx h GLN 67 N 0.52 0.99 0.00 2.33 1.08 0.22 -1.15 115.11 119.10 2dkx h GLN 67 Ca 0.52 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.59 2dkx h GLN 67 Cb 0.89 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2dkx h GLN 67 CO -0.45 0.74 -0.12 0.74 -0.95 0.00 0.00 178.83 178.79 2dkx h PHE 68 N 0.98 0.00 0.00 2.96 -1.00 0.24 -1.74 116.94 118.38 2dkx h PHE 68 Ca 0.25 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.99 2dkx h PHE 68 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2dkx h PHE 68 CO -0.00 0.12 -0.72 0.00 -1.61 0.00 0.00 178.31 176.10 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.46 -2.24 114.38 116.27 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 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2dkx h ARG 69 CO 0.02 0.12 -0.32 1.96 -1.07 0.00 0.00 179.97 180.67 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 -0.30 -3.13 115.11 112.80 2dkx h GLN 70 Ca -0.03 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.03 2dkx h GLN 70 Cb 1.15 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2dkx h GLN 70 CO 0.02 0.32 -1.93 2.89 -0.95 0.00 0.00 178.83 179.18 2dkx n ARG 71 N -3.86 0.97 -3.70 1.46 1.85 -1.20 -4.83 116.66 107.35 2dkx n ARG 71 Ca -0.01 -0.08 -0.30 0.00 -1.00 0.00 0.00 57.85 56.46 2dkx n ARG 71 Cb 0.40 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.27 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 -4.46 3.76 0.02 2.89 0.15 -0.84 -4.94 113.70 110.28 2dkx s SER 72 Ca -0.07 -2.13 -0.22 0.00 0.70 0.00 0.00 55.95 54.23 2dkx s SER 72 Cb 0.08 -0.90 -0.16 0.00 -1.71 0.00 0.00 66.02 63.33 2dkx s SER 72 CO 0.68 -0.34 1.32 1.55 1.20 0.00 0.00 173.24 177.65 2dkx h PRO 73 N 7.38 0.23 0.00 5.44 0.13 -1.82 0.39 132.00 143.76 2dkx h PRO 73 Ca -0.06 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 2dkx h PRO 73 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2dkx h PRO 73 CO 0.45 0.65 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.67 2dkx h LEU 74 N -0.18 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.72 2dkx h LEU 74 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dkx h LEU 74 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2dkx h LEU 74 CO 0.02 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2dkx n GLY 75 N -0.22 0.23 6.52 0.83 0.00 -1.18 -4.92 105.19 106.46 2dkx n GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.99 0.51 0.32 -0.02 0.00 0.14 -1.57 105.19 108.56 2dkx n GLY 76 Ca 0.00 0.56 0.31 0.00 0.00 0.00 0.00 46.02 46.89 2dkx n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dkx n ASP 77 N 3.05 0.31 0.04 1.61 5.75 -1.26 0.87 116.55 126.92 2dkx n ASP 77 Ca 0.00 1.52 -0.11 0.00 -0.01 0.00 0.00 54.79 56.19 2dkx n ASP 77 Cb 0.00 -0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 39.30 2dkx n ASP 77 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2dkx h VAL 78 N 0.00 0.81 0.78 2.12 2.07 -1.65 0.24 116.25 120.62 2dkx h VAL 78 Ca 0.80 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.28 2dkx h VAL 78 Cb 2.19 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.77 2dkx h VAL 78 CO -0.68 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 176.47 2dkx h LEU 79 N -0.12 -0.89 -2.04 2.57 3.38 0.24 0.10 115.31 118.57 2dkx h LEU 79 Ca 0.04 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.15 2dkx h LEU 79 Cb 0.16 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2dkx h LEU 79 CO -0.09 -0.57 0.37 -0.74 0.09 0.00 0.00 178.44 177.50 2dkx h HIS 80 N -1.16 0.00 0.08 1.13 2.76 -1.33 0.22 115.15 116.86 2dkx h HIS 80 Ca -0.11 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2dkx h HIS 80 Cb 0.82 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2dkx h HIS 80 CO -0.01 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 176.59 2dkx h ALA 81 N 1.68 -0.19 -0.07 5.26 0.00 -0.16 -2.76 119.26 123.02 2dkx h ALA 81 Ca 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2dkx h ALA 81 Cb 0.94 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2dkx h ALA 81 CO -0.00 -0.18 0.33 1.25 0.00 0.00 0.00 179.25 180.65 2dkx h HIS 82 N -0.51 0.00 0.03 0.00 6.17 -0.58 -0.52 115.15 119.73 2dkx h HIS 82 Ca -0.01 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 60.99 2dkx h HIS 82 Cb 0.08 0.00 0.01 0.00 2.52 0.00 0.00 27.41 30.02 2dkx h HIS 82 CO 0.02 0.00 -0.33 1.25 0.71 0.00 0.00 177.93 179.58 2dkx h LEU 83 N 0.00 0.24 -0.99 0.26 5.85 -1.03 -3.30 115.31 116.35 2dkx h LEU 83 Ca 0.03 -0.86 0.39 0.00 0.84 0.00 0.00 57.88 58.28 2dkx h LEU 83 Cb 0.70 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.47 2dkx h LEU 83 CO -0.00 1.07 0.43 -0.67 -0.34 0.00 0.00 178.44 178.93 2dkx n ASP 84 N -4.43 0.25 -0.33 1.25 2.03 -0.20 0.17 116.55 115.28 2dkx n ASP 84 Ca -0.11 1.65 0.01 0.00 0.52 0.00 0.00 54.79 56.86 2dkx n ASP 84 Cb 0.57 -0.76 0.15 0.00 -0.72 0.00 0.00 41.12 40.36 2dkx n ASP 84 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2dkx h ILE 85 N 0.00 1.07 0.06 5.18 5.03 -1.63 0.20 117.51 127.42 2dkx h ILE 85 Ca 0.79 -0.36 -0.00 0.00 -0.12 0.00 0.00 64.86 65.17 2dkx h ILE 85 Cb 2.02 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 2dkx h ILE 85 CO -0.80 0.19 -0.03 -0.50 -0.68 0.00 0.00 178.15 176.33 2dkx h TRP 86 N 1.05 -0.08 -0.99 1.37 4.06 0.15 -2.71 115.95 118.81 2dkx h TRP 86 Ca 0.39 -0.00 0.35 0.00 2.06 0.00 0.00 58.89 61.69 2dkx h TRP 86 Cb 0.14 0.03 -0.17 0.00 -1.00 0.00 0.00 29.16 28.16 2dkx h TRP 86 CO -0.02 -0.05 0.48 1.57 -3.56 0.00 0.00 178.44 176.86 2dkx h LYS 87 N -0.21 0.14 -0.46 0.49 2.10 -1.37 0.82 116.57 118.08 2dkx h LYS 87 Ca -0.01 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2dkx h LYS 87 Cb 0.07 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.34 2dkx h LYS 87 CO 0.01 0.09 0.20 1.03 -2.00 0.00 0.00 179.45 178.79 2dkx h SER 88 N 0.15 0.63 1.36 7.07 0.87 -1.04 -0.84 113.55 121.74 2dkx h SER 88 Ca 0.76 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 61.13 2dkx h SER 88 Cb 1.84 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.63 2dkx h SER 88 CO -0.71 0.61 -0.18 0.00 -0.53 0.00 0.00 176.83 176.02 2dkx h ALA 89 N 1.05 0.94 0.00 6.23 0.00 0.73 -2.97 119.26 125.24 2dkx h ALA 89 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dkx h ALA 89 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dkx h ALA 89 CO -0.02 0.22 -0.24 0.00 0.00 0.00 0.00 179.25 179.22 2dkx h ALA 90 N 1.82 0.86 -0.90 0.00 0.00 0.32 -3.29 119.26 118.07 2dkx h ALA 90 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 2dkx h ALA 90 Cb 0.90 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.37 2dkx h ALA 90 CO 0.02 0.00 0.38 0.45 0.00 0.00 0.00 179.25 180.10 2dkx n SER 91 N -2.57 6.49 0.00 0.00 2.88 -0.36 -5.04 113.62 115.01 2dkx n SER 91 Ca 0.04 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.81 2dkx n SER 91 Cb 0.48 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 -0.89 0.17 3.72 0.46 0.00 -1.24 -4.95 105.19 102.46 2dkx n GLY 92 Ca 0.56 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.67 4.34 -0.24 1.61 0.04 -1.26 -4.28 135.00 133.54 2dkx s PRO 93 Ca 0.00 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2dkx s PRO 93 Cb 0.00 -3.25 -0.13 0.00 0.04 0.00 0.00 34.50 31.15 2dkx s PRO 93 CO 0.00 -0.39 -0.16 0.45 0.04 0.00 0.00 177.00 176.94 2dkx n SER 94 N 3.76 1.92 -3.14 6.66 2.88 -1.26 -5.03 113.62 119.41 2dkx n SER 94 Ca 0.10 0.38 -0.16 0.00 -1.33 0.00 0.00 58.87 57.87 2dkx n SER 94 Cb 0.43 -0.87 0.08 0.00 -0.75 0.00 0.00 64.21 63.10 2dkx n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dkx n SER 95 N -4.35 -2.68 0.00 -3.46 7.64 -1.26 -5.19 113.62 104.32 2dkx n SER 95 Ca -0.41 -0.53 0.09 0.00 1.01 0.00 0.00 58.87 59.03 2dkx n SER 95 Cb 0.76 -4.53 0.53 0.00 -1.01 0.00 0.00 64.21 59.95 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64