#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 1.09 -3.93 1.61 7.64 -1.26 -5.00 113.62 113.77 2dkx n SER 2 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2dkx n SER 2 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 2dkx n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkx s SER 3 N -3.92 1.00 -0.08 6.43 1.04 -1.26 -4.99 113.70 111.93 2dkx s SER 3 Ca 0.00 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 2dkx s SER 3 Cb 0.00 -0.41 0.01 0.00 0.10 0.00 0.00 66.02 65.72 2dkx s SER 3 CO 0.00 -0.01 0.03 0.61 0.98 0.00 0.00 173.24 174.85 2dkx n GLY 4 N 3.74 -3.40 0.01 7.32 0.00 -1.26 -4.96 105.19 106.64 2dkx n GLY 4 Ca -0.23 0.07 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2dkx n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dkx n SER 5 N 0.32 0.58 -1.99 1.61 3.41 -1.26 -4.04 113.62 112.24 2dkx n SER 5 Ca -0.05 -0.31 -0.24 0.00 -0.26 0.00 0.00 58.87 58.01 2dkx n SER 5 Cb 0.08 0.38 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 2dkx n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkx n SER 6 N -1.58 5.25 -0.11 4.04 3.41 -1.26 -4.68 113.62 118.69 2dkx n SER 6 Ca 0.05 -3.77 -0.23 0.00 -0.26 0.00 0.00 58.87 54.67 2dkx n SER 6 Cb 0.35 -0.49 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.79 -0.38 0.13 5.00 0.00 -1.26 -4.53 105.19 103.37 2dkx n GLY 7 Ca 0.46 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.82 0.00 -1.64 0.99 8.10 -1.85 -3.25 115.31 116.84 2dkx h LEU 8 Ca -0.51 0.00 0.23 0.00 0.11 0.00 0.00 57.88 57.71 2dkx h LEU 8 Cb 1.43 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.62 2dkx h LEU 8 CO -0.31 0.00 0.83 0.11 -4.11 0.00 0.00 178.44 174.96 2dkx h LYS 9 N 0.00 0.00 0.00 0.17 1.79 -1.83 1.29 116.57 117.99 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 0.64 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.26 2dkx h LYS 9 CO 0.00 0.00 -1.51 -0.25 -1.08 0.00 0.00 179.45 176.61 2dkx n ASP 10 N -3.60 0.73 0.18 0.86 9.92 -1.23 -4.18 116.55 119.24 2dkx n ASP 10 Ca 0.17 0.32 -0.14 0.00 -0.53 0.00 0.00 54.79 54.61 2dkx n ASP 10 Cb 1.10 0.36 -0.08 0.00 -0.64 0.00 0.00 41.12 41.87 2dkx n ASP 10 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2dkx h ILE 11 N 0.00 0.72 -0.99 0.53 2.04 0.15 -2.83 117.51 117.13 2dkx h ILE 11 Ca -0.18 -0.23 0.20 0.00 1.00 0.00 0.00 64.86 65.65 2dkx h ILE 11 Cb 1.57 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 38.39 2dkx h ILE 11 CO 0.04 0.05 0.59 1.05 0.00 0.00 0.00 178.15 179.88 2dkx h GLU 12 N -0.53 0.69 0.00 2.37 4.11 -1.65 0.58 114.58 120.16 2dkx h GLU 12 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2dkx h GLU 12 Cb 0.39 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2dkx h GLU 12 CO 0.07 0.46 -0.06 1.15 0.07 0.00 0.00 179.01 180.70 2dkx h THR 13 N 0.71 0.32 0.00 -1.06 2.02 -1.67 -1.07 112.91 112.17 2dkx h THR 13 Ca 0.58 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2dkx h THR 13 Cb 0.94 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2dkx h THR 13 CO -0.40 0.06 -0.76 0.00 0.37 0.00 0.00 175.52 174.79 2dkx n ALA 14 N -2.20 3.42 0.92 6.16 0.00 0.20 -3.85 120.51 125.16 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 0.20 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 0.33 0.00 0.00 1.57 -1.48 0.17 116.57 117.16 2dkx h LYS 16 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2dkx h LYS 16 Cb 0.54 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2dkx h LYS 16 CO 0.00 0.85 0.00 1.47 -0.57 0.00 0.00 179.45 181.20 2dkx n LEU 17 N -4.48 0.28 -0.01 2.94 -0.00 -1.26 -3.18 117.00 111.28 2dkx n LEU 17 Ca -0.08 0.53 0.10 0.00 -0.00 0.00 0.00 56.01 56.56 2dkx n LEU 17 Cb 0.45 -0.44 -0.17 0.00 -0.00 0.00 0.00 43.42 43.26 2dkx n LEU 17 CO 0.41 -0.07 -0.76 0.18 -0.00 0.00 0.00 177.39 177.15 2dkx n LEU 18 N -1.76 0.02 -2.42 1.47 4.77 -1.18 -4.99 117.00 112.91 2dkx n LEU 18 Ca 0.06 0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.85 2dkx n LEU 18 Cb 0.37 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2dkx n LEU 18 CO 0.28 0.02 -0.17 -3.20 -1.33 0.00 0.00 177.39 172.99 2dkx n ASN 19 N -2.29 -5.68 -3.95 -1.43 5.15 0.58 -4.99 115.26 102.64 2dkx n ASN 19 Ca -0.05 -0.10 -0.20 0.00 -0.60 0.00 0.00 54.58 53.63 2dkx n ASN 19 Cb 0.60 -4.64 -0.01 0.00 -0.53 0.00 0.00 39.78 35.19 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2dkx n ILE 20 N -4.15 0.00 -3.43 -1.44 -5.35 -1.09 -5.06 119.36 98.84 2dkx n ILE 20 Ca -0.19 -1.58 -0.38 0.00 -0.27 0.00 0.00 62.75 60.33 2dkx n ILE 20 Cb 0.66 -0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.49 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 -2.03 4.93 0.56 7.28 -1.32 -1.26 -4.82 115.64 118.98 2dkx s THR 21 Ca 0.15 0.93 0.28 0.00 -1.21 0.00 0.00 61.69 61.84 2dkx s THR 21 Cb -0.01 -3.76 0.40 0.00 -1.51 0.00 0.00 72.50 67.61 2dkx s THR 21 CO 0.10 0.53 1.95 0.00 -2.21 0.00 0.00 174.62 174.99 2dkx h ALA 22 N 4.51 2.33 -2.11 11.08 0.00 -1.95 -3.39 119.26 129.74 2dkx h ALA 22 Ca -0.51 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 2dkx h ALA 22 Cb 1.21 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2dkx h ALA 22 CO 0.63 -0.70 0.71 0.34 0.00 0.00 0.00 179.25 180.22 2dkx s ASP 23 N -5.67 6.97 0.29 0.00 -1.08 -1.26 -4.80 116.67 111.13 2dkx s ASP 23 Ca -0.05 1.18 0.08 0.00 -0.52 0.00 0.00 52.55 53.24 2dkx s ASP 23 Cb 0.18 -2.51 0.45 0.00 -1.46 0.00 0.00 42.92 39.58 2dkx s ASP 23 CO 0.64 -0.68 1.68 1.55 0.52 0.00 0.00 175.17 178.88 2dkx h PRO 24 N 7.70 0.16 0.00 4.34 0.13 -1.86 -2.60 132.00 139.87 2dkx h PRO 24 Ca -0.21 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dkx h PRO 24 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dkx h PRO 24 CO 0.96 0.60 0.00 -1.33 -0.23 0.00 0.00 178.00 178.00 2dkx n MET 25 N -3.98 0.27 -0.00 0.86 2.81 -1.25 -2.16 117.12 113.67 2dkx n MET 25 Ca -0.02 0.10 0.09 0.00 -1.81 0.00 0.00 57.70 56.06 2dkx n MET 25 Cb 0.51 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.41 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 -1.29 0.83 -4.38 7.83 9.92 -0.98 -2.62 116.55 125.85 2dkx n ASP 26 Ca 0.09 -0.67 -0.54 0.00 -0.53 0.00 0.00 54.79 53.14 2dkx n ASP 26 Cb 0.15 1.23 -0.09 0.00 -0.64 0.00 0.00 41.12 41.78 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 -1.61 1.46 -3.55 1.24 8.01 -0.92 -4.83 117.44 117.24 2dkx n TRP 27 Ca 0.02 0.44 -0.10 0.00 -1.31 0.00 0.00 57.50 56.55 2dkx n TRP 27 Cb 0.33 -2.45 -0.04 0.00 -2.01 0.00 0.00 31.31 27.14 2dkx n TRP 27 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2dkx s SER 28 N 6.83 -0.37 -0.02 -0.99 1.04 -1.26 -0.89 113.70 118.03 2dkx s SER 28 Ca 1.13 0.26 -0.25 0.00 0.48 0.00 0.00 55.95 57.57 2dkx s SER 28 Cb -1.07 0.34 -0.20 0.00 0.10 0.00 0.00 66.02 65.19 2dkx s SER 28 CO 0.55 -0.45 1.23 1.55 0.98 0.00 0.00 173.24 177.10 2dkx h PRO 29 N 2.36 -0.06 -0.55 4.02 0.13 -2.02 -3.38 132.00 132.50 2dkx h PRO 29 Ca -0.20 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.55 2dkx h PRO 29 Cb 1.19 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2dkx h PRO 29 CO 0.31 0.40 -0.47 0.43 -0.23 0.00 0.00 178.00 178.44 2dkx n SER 30 N -4.89 4.11 0.26 1.44 7.64 -1.26 -4.73 113.62 116.18 2dkx n SER 30 Ca -0.08 -3.80 0.09 0.00 1.01 0.00 0.00 58.87 56.09 2dkx n SER 30 Cb 0.25 -0.49 0.67 0.00 -1.01 0.00 0.00 64.21 63.63 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 1.72 0.00 -0.50 6.43 4.21 -1.79 -2.85 115.58 122.81 2dkx h ASN 31 Ca 0.29 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.90 2dkx h ASN 31 Cb 1.38 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.48 2dkx h ASN 31 CO 0.62 0.09 -0.15 0.58 -1.29 0.00 0.00 177.43 177.28 2dkx h VAL 32 N 0.00 0.45 -0.99 2.81 2.07 -1.85 0.30 116.25 119.04 2dkx h VAL 32 Ca -0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 2dkx h VAL 32 Cb 0.18 0.45 -0.15 0.00 -1.52 0.00 0.00 31.29 30.26 2dkx h VAL 32 CO 0.01 0.00 0.55 1.56 0.02 0.00 0.00 177.57 179.71 2dkx h GLN 33 N -0.03 0.31 0.04 1.57 1.08 -1.86 0.23 115.11 116.45 2dkx h GLN 33 Ca 0.24 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2dkx h GLN 33 Cb 0.40 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2dkx h GLN 33 CO -0.53 0.20 -0.02 0.87 -0.95 0.00 0.00 178.83 178.41 2dkx h LYS 34 N 0.32 -0.05 0.00 1.46 1.57 -1.10 0.12 116.57 118.89 2dkx h LYS 34 Ca 0.72 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.50 2dkx h LYS 34 Cb 1.64 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.96 2dkx h LYS 34 CO -0.61 -0.02 -0.05 2.35 -0.57 0.00 0.00 179.45 180.55 2dkx h TRP 35 N -0.06 0.00 0.03 -1.35 7.01 -0.50 -1.83 115.95 119.25 2dkx h TRP 35 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2dkx h TRP 35 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2dkx h TRP 35 CO -0.07 0.05 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.54 2dkx h LEU 36 N 0.00 -0.03 -1.77 0.65 3.38 -0.35 -3.10 115.31 114.09 2dkx h LEU 36 Ca -0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2dkx h LEU 36 Cb 0.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2dkx h LEU 36 CO 0.01 0.68 0.00 0.17 0.09 0.00 0.00 178.44 179.38 2dkx h LEU 37 N -0.98 0.00 0.12 1.67 8.10 -0.86 0.46 115.31 123.82 2dkx h LEU 37 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2dkx h LEU 37 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.71 2dkx h LEU 37 CO 0.01 0.00 -0.06 -0.25 -4.11 0.00 0.00 178.44 174.03 2dkx h TRP 38 N 0.00 -0.15 0.00 0.17 -0.00 -1.40 -3.24 115.95 111.34 2dkx h TRP 38 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.77 2dkx h TRP 38 Cb 0.09 0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.28 2dkx h TRP 38 CO 0.00 -0.09 -0.58 1.15 -0.00 0.00 0.00 178.44 178.92 2dkx h THR 39 N -0.71 1.27 -0.16 2.65 2.02 -1.45 -3.05 112.91 113.49 2dkx h THR 39 Ca -0.02 -2.08 0.03 0.00 0.77 0.00 0.00 66.41 65.11 2dkx h THR 39 Cb 0.12 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 2dkx h THR 39 CO 0.03 0.57 0.11 -0.08 0.37 0.00 0.00 175.52 176.51 2dkx h GLU 40 N 0.00 0.10 0.00 6.66 4.81 -0.23 0.12 114.58 126.03 2dkx h GLU 40 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2dkx h GLU 40 Cb 1.12 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2dkx h GLU 40 CO 0.08 0.06 -0.43 1.58 -0.73 0.00 0.00 179.01 179.56 2dkx n HIS 41 N -4.51 0.38 0.61 0.92 -0.00 -1.16 -0.67 115.22 110.79 2dkx n HIS 41 Ca 0.00 0.11 0.11 0.00 0.46 0.00 0.00 57.72 58.40 2dkx n HIS 41 Cb 0.17 -0.56 -0.06 0.00 -0.12 0.00 0.00 29.99 29.42 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 -1.88 0.26 0.00 1.57 6.02 0.20 -4.26 117.38 119.28 2dkx n GLN 42 Ca 0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2dkx n GLN 42 Cb 0.40 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.85 0.00 -3.39 1.08 4.02 -0.01 -5.01 117.16 112.00 2dkx n TYR 43 Ca 0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.71 2dkx n TYR 43 Cb 0.43 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.21 -6.49 -2.83 -0.72 5.12 -0.30 -5.00 116.66 106.23 2dkx n ARG 44 Ca 0.00 0.68 -0.30 0.00 -1.93 0.00 0.00 57.85 56.30 2dkx n ARG 44 Cb 0.02 -5.27 -0.03 0.00 -1.16 0.00 0.00 32.46 26.02 2dkx n ARG 44 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dkx s LEU 45 N -6.14 3.81 1.02 0.55 1.43 0.16 -5.03 118.68 114.49 2dkx s LEU 45 Ca 0.46 1.12 -0.13 0.00 -1.03 0.00 0.00 54.13 54.55 2dkx s LEU 45 Cb -0.20 -4.01 0.20 0.00 0.03 0.00 0.00 46.19 42.21 2dkx s LEU 45 CO 0.60 -0.42 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 2dkx s PRO 46 N -3.92 0.24 -0.66 1.29 0.04 -1.26 -4.79 135.00 125.94 2dkx s PRO 46 Ca 0.51 0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 2dkx s PRO 46 Cb -0.10 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.32 -2.84 1.88 -1.25 0.04 0.00 0.00 177.00 175.15 2dkx s PRO 47 N -4.98 2.61 0.07 0.56 0.04 -1.26 -4.79 135.00 127.26 2dkx s PRO 47 Ca 0.66 0.45 0.17 0.00 0.04 0.00 0.00 61.00 62.32 2dkx s PRO 47 Cb -0.18 -4.50 -0.12 0.00 0.04 0.00 0.00 34.50 29.73 2dkx s PRO 47 CO 0.58 -2.84 0.86 0.52 0.04 0.00 0.00 177.00 176.15 2dkx h MET 48 N 14.34 0.00 -1.16 4.56 2.86 -1.96 -3.37 114.93 130.20 2dkx h MET 48 Ca -0.20 0.00 0.43 0.00 -2.06 0.00 0.00 59.70 57.87 2dkx h MET 48 Cb 1.14 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.65 2dkx h MET 48 CO 1.22 0.29 0.71 0.41 1.06 0.00 0.00 176.91 180.60 2dkx n GLY 49 N 1.38 -0.76 0.26 8.32 0.00 -1.26 0.19 105.19 113.31 2dkx n GLY 49 Ca -0.09 0.74 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 2dkx n GLY 49 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dkx h LYS 50 N 0.00 0.90 0.00 1.61 3.64 -1.99 1.23 116.57 121.96 2dkx h LYS 50 Ca 0.82 -0.47 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2dkx h LYS 50 Cb 2.47 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 34.29 2dkx h LYS 50 CO -0.56 1.12 -0.19 0.00 -2.27 0.00 0.00 179.45 177.55 2dkx h ALA 51 N 0.77 0.89 -0.15 5.00 0.00 0.18 -3.18 119.26 122.76 2dkx h ALA 51 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dkx h ALA 51 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2dkx h ALA 51 CO 0.09 0.24 0.00 1.19 0.00 0.00 0.00 179.25 180.76 2dkx n PHE 52 N -3.16 0.19 -0.33 0.00 3.01 0.18 -4.57 117.46 112.78 2dkx n PHE 52 Ca 0.03 -0.16 0.15 0.00 1.01 0.00 0.00 57.45 58.48 2dkx n PHE 52 Cb 0.58 -0.01 0.38 0.00 -0.01 0.00 0.00 39.48 40.43 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 2.67 0.63 0.00 -1.08 3.07 0.16 0.55 115.11 121.10 2dkx h GLN 53 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2dkx h GLN 53 Cb 0.65 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2dkx h GLN 53 CO 0.00 0.42 -0.37 -0.85 0.09 0.00 0.00 178.83 178.11 2dkx n GLU 54 N -4.69 0.13 -2.89 0.06 -0.00 -1.26 -4.88 120.64 107.11 2dkx n GLU 54 Ca 0.23 0.05 -0.32 0.00 -0.00 0.00 0.00 57.16 57.12 2dkx n GLU 54 Cb 0.63 -1.60 -0.05 0.00 -0.00 0.00 0.00 31.44 30.42 2dkx n GLU 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dkx s LEU 55 N -3.59 3.91 0.31 -1.84 1.43 0.19 -5.09 118.68 114.01 2dkx s LEU 55 Ca 0.10 1.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 2dkx s LEU 55 Cb 0.16 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 2dkx s LEU 55 CO 0.66 -0.34 0.07 0.00 0.23 0.00 0.00 176.35 176.97 2dkx s ALA 56 N -2.21 2.22 0.18 4.21 0.00 -1.26 -4.88 121.76 120.02 2dkx s ALA 56 Ca 0.56 -1.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.30 2dkx s ALA 56 Cb -0.10 0.77 0.07 0.00 0.00 0.00 0.00 23.12 23.86 2dkx s ALA 56 CO 0.22 -0.35 1.55 0.78 0.00 0.00 0.00 175.76 177.96 2dkx h GLY 57 N 2.17 -0.41 0.41 0.00 0.00 -1.13 -0.40 103.07 103.72 2dkx h GLY 57 Ca -0.40 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2dkx h GLY 57 CO 0.67 -0.12 -0.45 0.07 0.00 0.00 0.00 176.54 176.71 2dkx h LYS 58 N -0.10 -0.78 -0.22 4.80 2.10 -1.62 -2.56 116.57 118.20 2dkx h LYS 58 Ca 0.22 0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.95 2dkx h LYS 58 Cb 0.53 0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 32.00 2dkx h LYS 58 CO -0.85 -0.52 -0.24 0.93 -2.00 0.00 0.00 179.45 176.77 2dkx h GLU 59 N -0.81 -0.14 -0.88 0.07 4.39 -1.62 0.63 114.58 116.23 2dkx h GLU 59 Ca -0.02 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.78 2dkx h GLU 59 Cb 0.76 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.33 2dkx h GLU 59 CO -0.15 -0.09 -0.49 1.28 -1.16 0.00 0.00 179.01 178.39 2dkx n LEU 60 N -3.86 -0.88 0.25 1.33 4.32 -0.26 0.23 117.00 118.12 2dkx n LEU 60 Ca -0.01 1.57 0.09 0.00 -0.02 0.00 0.00 56.01 57.63 2dkx n LEU 60 Cb 0.14 -0.23 0.62 0.00 -1.62 0.00 0.00 43.42 42.34 2dkx n LEU 60 CO -0.01 -1.30 0.95 0.00 -1.22 0.00 0.00 177.39 175.82 2dkx n ALA 62 N -2.41 2.71 -1.70 0.00 0.00 0.61 -4.86 120.51 114.86 2dkx n ALA 62 Ca -0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 2dkx n ALA 62 Cb 0.22 -1.36 0.10 0.00 0.00 0.00 0.00 19.45 18.41 2dkx n ALA 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2dkx n MET 63 N -1.49 -0.49 -4.22 0.00 2.00 0.30 -5.01 117.12 108.21 2dkx n MET 63 Ca 0.07 -1.17 -0.18 0.00 0.00 0.00 0.00 57.70 56.42 2dkx n MET 63 Cb 0.34 -0.65 -0.13 0.00 0.00 0.00 0.00 33.22 32.79 2dkx n MET 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2dkx s SER 64 N -3.49 1.37 0.12 7.83 0.01 -1.26 -5.02 113.70 113.27 2dkx s SER 64 Ca 0.39 -0.48 -0.21 0.00 1.31 0.00 0.00 55.95 56.96 2dkx s SER 64 Cb -0.01 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2dkx s SER 64 CO 0.27 -0.05 1.10 1.21 0.41 0.00 0.00 173.24 176.19 2dkx n GLU 65 N 1.75 -0.29 -0.33 12.44 2.13 -1.26 0.22 120.64 135.29 2dkx n GLU 65 Ca -0.19 1.09 0.11 0.00 0.66 0.00 0.00 57.16 58.83 2dkx n GLU 65 Cb 0.55 -1.60 0.30 0.00 0.27 0.00 0.00 31.44 30.96 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 0.68 -0.45 5.31 4.81 -1.96 -0.36 114.58 122.60 2dkx h GLU 66 Ca 0.13 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2dkx h GLU 66 Cb 0.31 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2dkx h GLU 66 CO -0.68 0.45 0.29 1.96 -0.73 0.00 0.00 179.01 180.31 2dkx h GLN 67 N 0.70 0.58 0.00 1.92 1.08 0.23 -0.83 115.11 118.80 2dkx h GLN 67 Ca 0.55 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 2dkx h GLN 67 Cb 0.85 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2dkx h GLN 67 CO -0.39 0.39 -0.03 0.74 -0.95 0.00 0.00 178.83 178.58 2dkx h PHE 68 N 0.60 0.00 0.00 2.96 -1.00 0.08 -0.78 116.94 118.81 2dkx h PHE 68 Ca 0.17 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.87 2dkx h PHE 68 Cb -0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 2dkx h PHE 68 CO -0.05 0.03 -0.77 0.00 -1.61 0.00 0.00 178.31 175.92 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.75 -2.09 114.38 116.13 2dkx h ARG 69 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2dkx h ARG 69 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2dkx h ARG 69 CO 0.00 0.23 -0.22 1.96 -1.07 0.00 0.00 179.97 180.87 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.22 -3.15 115.11 113.30 2dkx h GLN 70 Ca -0.05 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.86 2dkx h GLN 70 Cb 1.27 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.65 2dkx h GLN 70 CO 0.03 0.22 -2.10 2.89 -0.95 0.00 0.00 178.83 178.92 2dkx n ARG 71 N -3.91 1.19 -3.79 1.46 1.85 -1.20 -4.86 116.66 107.40 2dkx n ARG 71 Ca -0.02 0.02 -0.30 0.00 -1.00 0.00 0.00 57.85 56.56 2dkx n ARG 71 Cb 0.30 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.17 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 -5.20 4.08 -0.01 2.89 0.15 -0.79 -4.98 113.70 109.84 2dkx s SER 72 Ca -0.13 -2.04 -0.25 0.00 0.70 0.00 0.00 55.95 54.23 2dkx s SER 72 Cb 0.05 -1.08 -0.19 0.00 -1.71 0.00 0.00 66.02 63.10 2dkx s SER 72 CO 0.60 -0.36 1.28 1.55 1.20 0.00 0.00 173.24 177.51 2dkx h PRO 73 N 7.58 0.07 0.00 5.44 0.13 -1.81 0.30 132.00 143.72 2dkx h PRO 73 Ca -0.08 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2dkx h PRO 73 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2dkx h PRO 73 CO 0.49 0.54 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.72 2dkx h LEU 74 N -0.39 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.52 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 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dkx h LEU 74 CO 0.01 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2dkx n GLY 75 N -1.12 0.48 5.58 0.83 0.00 -1.16 -4.91 105.19 104.90 2dkx n GLY 75 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 4.09 0.31 0.33 -0.02 0.00 0.11 -2.38 105.19 107.62 2dkx n GLY 76 Ca 0.00 0.31 0.22 0.00 0.00 0.00 0.00 46.02 46.55 2dkx n GLY 76 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dkx h ASP 77 N 0.00 0.17 -0.14 1.61 3.04 -1.80 0.64 116.42 119.94 2dkx h ASP 77 Ca 0.00 0.23 0.04 0.00 -3.24 0.00 0.00 57.03 54.06 2dkx h ASP 77 Cb 0.00 0.27 -0.07 0.00 -1.04 0.00 0.00 39.33 38.49 2dkx h ASP 77 CO 0.00 -0.27 -0.42 0.58 -2.04 0.00 0.00 179.24 177.09 2dkx h VAL 78 N 0.15 0.15 0.45 4.15 2.07 -1.84 0.24 116.25 121.62 2dkx h VAL 78 Ca 0.71 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.21 2dkx h VAL 78 Cb 1.64 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2dkx h VAL 78 CO -0.72 0.00 -0.52 -0.07 0.02 0.00 0.00 177.57 176.28 2dkx h LEU 79 N -0.48 -1.43 -1.95 2.57 3.38 -1.15 0.34 115.31 116.59 2dkx h LEU 79 Ca 0.08 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.29 2dkx h LEU 79 Cb 0.62 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2dkx h LEU 79 CO -0.40 -0.66 0.46 -0.74 0.09 0.00 0.00 178.44 177.18 2dkx h HIS 80 N -0.98 0.00 0.00 1.13 2.76 -1.21 0.34 115.15 117.19 2dkx h HIS 80 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2dkx h HIS 80 Cb 0.87 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2dkx h HIS 80 CO -0.29 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 176.33 2dkx h ALA 81 N 1.47 0.00 0.00 5.26 0.00 0.10 -2.85 119.26 123.24 2dkx h ALA 81 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dkx h ALA 81 Cb 1.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dkx h ALA 81 CO -0.00 0.02 0.14 1.25 0.00 0.00 0.00 179.25 180.65 2dkx h HIS 82 N -0.23 0.00 0.08 0.00 6.17 -0.15 -1.32 115.15 119.70 2dkx h HIS 82 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 60.37 60.94 2dkx h HIS 82 Cb 0.02 0.00 0.01 0.00 2.52 0.00 0.00 27.41 29.95 2dkx h HIS 82 CO -0.01 0.00 -0.66 1.25 0.71 0.00 0.00 177.93 179.22 2dkx h LEU 83 N 0.00 0.25 -0.98 0.26 5.85 -0.46 -3.34 115.31 116.89 2dkx h LEU 83 Ca 0.00 -0.91 0.31 0.00 0.84 0.00 0.00 57.88 58.11 2dkx h LEU 83 Cb 0.28 -0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.05 2dkx h LEU 83 CO 0.00 1.30 0.16 -0.67 -0.34 0.00 0.00 178.44 178.89 2dkx n ASP 84 N -4.29 0.01 -0.28 1.25 -0.08 -0.50 0.15 116.55 112.81 2dkx n ASP 84 Ca -0.16 1.65 0.00 0.00 -1.51 0.00 0.00 54.79 54.77 2dkx n ASP 84 Cb 0.70 -0.66 0.13 0.00 2.34 0.00 0.00 41.12 43.63 2dkx n ASP 84 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2dkx h ILE 85 N 0.00 1.01 0.18 5.18 5.03 -1.68 0.15 117.51 127.37 2dkx h ILE 85 Ca 0.66 -0.29 -0.01 0.00 -0.12 0.00 0.00 64.86 65.10 2dkx h ILE 85 Cb 1.49 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 35.36 2dkx h ILE 85 CO -0.87 0.16 -0.09 -0.50 -0.68 0.00 0.00 178.15 176.17 2dkx h TRP 86 N 0.86 -0.22 -0.92 1.37 4.06 0.12 -2.22 115.95 118.99 2dkx h TRP 86 Ca 0.35 -0.01 0.26 0.00 2.06 0.00 0.00 58.89 61.55 2dkx h TRP 86 Cb 0.19 0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 28.28 2dkx h TRP 86 CO -0.05 -0.14 0.35 1.57 -3.56 0.00 0.00 178.44 176.62 2dkx h LYS 87 N -0.42 0.27 -0.59 0.49 2.10 -1.22 0.47 116.57 117.66 2dkx h LYS 87 Ca -0.02 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2dkx h LYS 87 Cb 0.18 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.43 2dkx h LYS 87 CO 0.04 0.18 0.32 1.03 -2.00 0.00 0.00 179.45 179.02 2dkx h SER 88 N 0.27 0.74 0.99 7.07 0.87 -0.77 -0.21 113.55 122.52 2dkx h SER 88 Ca 0.60 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.99 2dkx h SER 88 Cb 1.26 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2dkx h SER 88 CO -0.62 0.63 -0.35 0.00 -0.53 0.00 0.00 176.83 175.96 2dkx h ALA 89 N 1.15 0.94 0.00 6.23 0.00 0.28 -2.88 119.26 124.98 2dkx h ALA 89 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dkx h ALA 89 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dkx h ALA 89 CO -0.03 0.44 -0.20 0.00 0.00 0.00 0.00 179.25 179.46 2dkx h ALA 90 N 1.65 0.88 -0.21 0.00 0.00 0.31 -3.30 119.26 118.60 2dkx h ALA 90 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2dkx h ALA 90 Cb 0.94 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2dkx h ALA 90 CO 0.05 0.00 0.16 0.45 0.00 0.00 0.00 179.25 179.90 2dkx n SER 91 N -2.56 4.19 0.00 0.00 2.88 -0.15 -4.84 113.62 113.15 2dkx n SER 91 Ca 0.04 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 2dkx n SER 91 Cb 0.48 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 0.48 2.21 3.66 0.46 0.00 -1.24 -5.06 105.19 105.69 2dkx n GLY 92 Ca 0.13 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 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 3.19 0.19 -0.46 1.61 0.04 -1.26 -5.03 135.00 133.27 2dkx s PRO 93 Ca 0.00 0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.51 2dkx s PRO 93 Cb 0.00 -1.71 0.13 0.00 0.04 0.00 0.00 34.50 32.96 2dkx s PRO 93 CO 0.00 -2.88 0.24 -1.54 0.04 0.00 0.00 177.00 172.86 2dkx s SER 94 N -3.48 3.88 0.04 6.66 1.04 -1.26 -5.03 113.70 115.55 2dkx s SER 94 Ca 0.66 -2.71 -0.30 0.00 0.48 0.00 0.00 55.95 54.08 2dkx s SER 94 Cb -0.18 -1.22 -0.08 0.00 0.10 0.00 0.00 66.02 64.64 2dkx s SER 94 CO 0.58 -0.26 1.78 -0.94 0.98 0.00 0.00 173.24 175.37 2dkx s SER 95 N 0.20 6.54 0.00 7.02 1.04 -1.26 -5.28 113.70 121.96 2dkx s SER 95 Ca 0.17 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.13 2dkx s SER 95 Cb -0.25 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2dkx s SER 95 CO -0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86