#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx h SER 2 N 0.00 0.01 -2.79 1.61 4.64 -2.08 -3.43 113.55 111.51 2dkx h SER 2 Ca 0.00 -0.72 -0.61 0.00 -0.47 0.00 0.00 61.79 59.99 2dkx h SER 2 Cb 0.00 -0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.68 2dkx h SER 2 CO 0.00 1.29 -0.75 -0.44 -0.87 0.00 0.00 176.83 176.06 2dkx s SER 3 N -6.59 3.33 -0.92 4.97 0.01 -1.26 -4.94 113.70 108.29 2dkx s SER 3 Ca -0.24 -3.49 -0.13 0.00 1.31 0.00 0.00 55.95 53.40 2dkx s SER 3 Cb 0.02 -1.10 0.02 0.00 0.21 0.00 0.00 66.02 65.17 2dkx s SER 3 CO 0.64 -0.12 0.60 0.61 0.41 0.00 0.00 173.24 175.37 2dkx n GLY 4 N 2.38 -1.08 3.20 3.44 0.00 -1.26 -4.95 105.19 106.91 2dkx n GLY 4 Ca 0.24 0.48 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 2dkx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkx s SER 5 N -3.18 2.94 -0.06 1.61 0.15 -1.26 -5.10 113.70 108.81 2dkx s SER 5 Ca 0.17 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 2dkx s SER 5 Cb -0.10 -1.32 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 2dkx s SER 5 CO 0.88 0.15 0.29 -0.55 1.20 0.00 0.00 173.24 175.21 2dkx s SER 6 N 0.36 -0.22 0.00 5.45 0.15 -1.26 -4.35 113.70 113.82 2dkx s SER 6 Ca -0.18 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2dkx s SER 6 Cb -0.18 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dkx s SER 6 CO 0.08 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dkx n GLY 7 N 1.99 2.03 0.20 9.45 0.00 -1.26 -4.85 105.19 112.75 2dkx n GLY 7 Ca -0.18 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.93 0.99 8.10 -1.95 -2.11 115.31 118.41 2dkx h LEU 8 Ca 0.00 0.00 0.41 0.00 0.11 0.00 0.00 57.88 58.40 2dkx h LEU 8 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.16 2dkx h LEU 8 CO 0.00 0.00 1.07 0.11 -4.11 0.00 0.00 178.44 175.51 2dkx h LYS 9 N 0.00 0.00 0.00 0.17 1.79 -1.94 1.48 116.57 118.07 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 0.57 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.19 2dkx h LYS 9 CO 0.00 0.00 -1.40 -0.44 -1.08 0.00 0.00 179.45 176.53 2dkx h ASP 10 N 0.00 0.00 0.25 0.86 3.32 -1.82 -3.34 116.42 115.68 2dkx h ASP 10 Ca 0.68 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.72 2dkx h ASP 10 Cb 2.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.37 2dkx h ASP 10 CO -0.01 0.83 -0.12 0.40 -1.72 0.00 0.00 179.24 178.62 2dkx h ILE 11 N 0.00 0.78 -0.97 0.35 2.04 0.19 -2.77 117.51 117.13 2dkx h ILE 11 Ca -0.18 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 65.67 2dkx h ILE 11 Cb 1.79 0.87 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2dkx h ILE 11 CO 0.08 0.03 0.61 1.05 0.00 0.00 0.00 178.15 179.92 2dkx h GLU 12 N -0.40 0.86 -0.26 2.37 4.11 -1.59 0.12 114.58 119.80 2dkx h GLU 12 Ca -0.03 -0.05 0.08 0.00 0.07 0.00 0.00 59.36 59.42 2dkx h GLU 12 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2dkx h GLU 12 CO 0.06 0.57 0.22 1.15 0.07 0.00 0.00 179.01 181.08 2dkx h THR 13 N 0.89 0.65 0.00 -1.06 2.02 -1.61 0.25 112.91 114.05 2dkx h THR 13 Ca 0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.67 2dkx h THR 13 Cb 0.59 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2dkx h THR 13 CO -0.26 0.00 -0.76 0.00 0.37 0.00 0.00 175.52 174.88 2dkx n ALA 14 N -2.47 3.50 0.95 6.16 0.00 0.37 -3.84 120.51 125.19 2dkx n ALA 14 Ca 0.03 -0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.21 2dkx n ALA 14 Cb 0.37 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.86 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 0.39 -0.00 0.00 1.57 -1.31 0.93 116.57 118.15 2dkx h LYS 16 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2dkx h LYS 16 Cb 0.52 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2dkx h LYS 16 CO 0.00 1.01 -0.01 1.47 -0.57 0.00 0.00 179.45 181.35 2dkx n LEU 17 N -4.32 0.02 -0.01 2.94 -0.00 -1.26 -3.15 117.00 111.23 2dkx n LEU 17 Ca -0.09 0.32 0.07 0.00 -0.00 0.00 0.00 56.01 56.31 2dkx n LEU 17 Cb 0.58 -0.33 -0.11 0.00 -0.00 0.00 0.00 43.42 43.56 2dkx n LEU 17 CO 0.44 0.00 -0.55 0.18 -0.00 0.00 0.00 177.39 177.46 2dkx n LEU 18 N -1.32 0.12 -3.19 1.47 4.77 -1.19 -5.01 117.00 112.65 2dkx n LEU 18 Ca 0.13 -0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 2dkx n LEU 18 Cb 0.26 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2dkx n LEU 18 CO 0.24 0.03 0.18 -3.20 -1.33 0.00 0.00 177.39 173.31 2dkx n ASN 19 N -1.87 -4.60 -3.93 -1.43 4.05 0.27 -5.02 115.26 102.74 2dkx n ASN 19 Ca -0.02 -0.50 -0.24 0.00 0.45 0.00 0.00 54.58 54.28 2dkx n ASN 19 Cb 0.34 -4.51 -0.05 0.00 1.23 0.00 0.00 39.78 36.79 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2dkx n ILE 20 N -4.39 0.00 -3.64 -1.44 -5.35 -0.89 -5.06 119.36 98.58 2dkx n ILE 20 Ca -0.08 -1.85 -0.36 0.00 -0.27 0.00 0.00 62.75 60.19 2dkx n ILE 20 Cb 0.58 0.43 -0.07 0.00 -1.74 0.00 0.00 39.64 38.84 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 -2.48 5.36 0.54 7.28 -1.32 -1.26 -4.80 115.64 118.96 2dkx s THR 21 Ca 0.03 0.39 0.43 0.00 -1.21 0.00 0.00 61.69 61.33 2dkx s THR 21 Cb 0.00 -3.55 0.65 0.00 -1.51 0.00 0.00 72.50 68.09 2dkx s THR 21 CO 0.02 0.44 1.68 0.00 -2.21 0.00 0.00 174.62 174.55 2dkx h ALA 22 N 6.45 3.48 -2.09 11.08 0.00 -1.94 -3.37 119.26 132.88 2dkx h ALA 22 Ca -0.43 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 53.86 2dkx h ALA 22 Cb 1.17 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2dkx h ALA 22 CO 0.74 -1.95 0.77 0.34 0.00 0.00 0.00 179.25 179.15 2dkx s ASP 23 N -4.47 7.06 0.26 0.00 -1.08 -1.26 -4.86 116.67 112.32 2dkx s ASP 23 Ca -0.05 1.33 0.04 0.00 -0.52 0.00 0.00 52.55 53.34 2dkx s ASP 23 Cb 0.25 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.52 2dkx s ASP 23 CO 0.85 -0.67 1.64 1.55 0.52 0.00 0.00 175.17 179.06 2dkx h PRO 24 N 7.51 0.34 0.00 4.34 0.13 -1.87 -2.64 132.00 139.82 2dkx h PRO 24 Ca -0.19 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2dkx h PRO 24 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dkx h PRO 24 CO 0.97 0.73 0.00 -1.33 -0.23 0.00 0.00 178.00 178.14 2dkx n MET 25 N -3.99 0.24 0.00 0.86 2.81 -1.26 -1.87 117.12 113.92 2dkx n MET 25 Ca -0.02 0.12 0.07 0.00 -1.81 0.00 0.00 57.70 56.07 2dkx n MET 25 Cb 0.52 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.01 -4.43 7.83 8.00 -1.00 -2.77 116.55 123.91 2dkx n ASP 26 Ca 0.08 -1.00 -0.51 0.00 0.71 0.00 0.00 54.79 54.07 2dkx n ASP 26 Cb 0.13 0.83 -0.07 0.00 -0.02 0.00 0.00 41.12 41.99 2dkx n ASP 26 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2dkx n TRP 27 N -0.97 1.55 -3.57 1.24 8.01 -0.78 -4.84 117.44 118.08 2dkx n TRP 27 Ca 0.04 0.30 -0.08 0.00 -1.31 0.00 0.00 57.50 56.46 2dkx n TRP 27 Cb 0.27 -2.52 -0.03 0.00 -2.01 0.00 0.00 31.31 27.02 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 7.36 -0.29 -0.02 -0.99 1.04 -1.26 -0.90 113.70 118.64 2dkx s SER 28 Ca 1.10 0.16 -0.25 0.00 0.48 0.00 0.00 55.95 57.44 2dkx s SER 28 Cb -0.89 0.27 -0.19 0.00 0.10 0.00 0.00 66.02 65.31 2dkx s SER 28 CO 0.50 -0.37 1.21 1.55 0.98 0.00 0.00 173.24 177.11 2dkx h PRO 29 N 2.22 -0.08 -0.75 4.02 0.13 -2.03 -3.38 132.00 132.13 2dkx h PRO 29 Ca -0.16 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.44 2dkx h PRO 29 Cb 1.19 0.02 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 2dkx h PRO 29 CO 0.28 0.38 -0.39 0.43 -0.23 0.00 0.00 178.00 178.47 2dkx n SER 30 N -4.90 5.26 0.20 1.44 7.64 -1.26 -4.72 113.62 117.27 2dkx n SER 30 Ca -0.08 -3.77 0.04 0.00 1.01 0.00 0.00 58.87 56.06 2dkx n SER 30 Cb 0.25 -0.50 0.40 0.00 -1.01 0.00 0.00 64.21 63.35 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 2.02 0.00 -0.42 6.43 4.21 -1.79 -3.13 115.58 122.90 2dkx h ASN 31 Ca 0.40 0.00 0.09 0.00 1.21 0.00 0.00 56.30 58.00 2dkx h ASN 31 Cb 1.37 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.48 2dkx h ASN 31 CO 0.89 0.33 -0.28 0.58 -1.29 0.00 0.00 177.43 177.66 2dkx h VAL 32 N 0.00 0.28 -1.06 2.81 2.07 -1.84 0.82 116.25 119.33 2dkx h VAL 32 Ca -0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.86 2dkx h VAL 32 Cb 0.59 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.50 2dkx h VAL 32 CO 0.04 0.00 0.62 1.56 0.02 0.00 0.00 177.57 179.81 2dkx h GLN 33 N -0.20 0.25 -0.17 1.57 1.08 -1.88 0.39 115.11 116.15 2dkx h GLN 33 Ca 0.19 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2dkx h GLN 33 Cb 0.51 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2dkx h GLN 33 CO -0.54 0.16 0.09 0.87 -0.95 0.00 0.00 178.83 178.46 2dkx h LYS 34 N 0.26 0.24 0.00 1.46 1.57 -1.00 -0.03 116.57 119.06 2dkx h LYS 34 Ca 0.75 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 2dkx h LYS 34 Cb 1.87 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.14 2dkx h LYS 34 CO -0.57 0.26 0.00 1.87 -0.57 0.00 0.00 179.45 180.44 2dkx n TRP 35 N -4.90 0.64 -0.03 -1.35 -0.00 0.12 -2.34 117.44 109.58 2dkx n TRP 35 Ca -0.04 0.27 -0.02 0.00 -0.00 0.00 0.00 57.50 57.71 2dkx n TRP 35 Cb 0.08 -0.93 -0.01 0.00 -0.00 0.00 0.00 31.31 30.46 2dkx n TRP 35 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2dkx h LEU 36 N 0.00 0.00 -1.71 5.87 3.38 -0.32 -3.32 115.31 119.21 2dkx h LEU 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dkx h LEU 36 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2dkx h LEU 36 CO 0.00 0.33 0.39 0.17 0.09 0.00 0.00 178.44 179.42 2dkx h LEU 37 N -0.47 0.00 0.00 1.67 8.10 -1.08 0.31 115.31 123.84 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 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 -2.77 0.00 0.06 0.17 -0.00 -0.99 -3.31 117.44 110.61 2dkx n TRP 38 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.47 2dkx n TRP 38 Cb 0.43 -0.49 0.27 0.00 -0.00 0.00 0.00 31.31 31.52 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 1.24 -0.95 5.87 2.02 -1.56 -2.77 112.91 116.77 2dkx h THR 39 Ca 0.00 -1.13 0.22 0.00 0.77 0.00 0.00 66.41 66.27 2dkx h THR 39 Cb 0.00 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 2dkx h THR 39 CO 0.00 0.35 0.62 -0.08 0.37 0.00 0.00 175.52 176.79 2dkx h GLU 40 N 0.32 0.39 0.00 6.66 4.81 -0.54 0.79 114.58 127.01 2dkx h GLU 40 Ca 0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2dkx h GLU 40 Cb 0.58 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2dkx h GLU 40 CO 0.04 0.26 -0.36 1.25 -0.73 0.00 0.00 179.01 179.47 2dkx h HIS 41 N 0.40 0.00 0.00 0.92 2.76 -1.48 0.24 115.15 117.99 2dkx h HIS 41 Ca 0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2dkx h HIS 41 Cb 1.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2dkx h HIS 41 CO -0.00 0.00 -0.88 1.04 -1.30 0.00 0.00 177.93 176.78 2dkx n GLN 42 N -2.45 0.20 0.00 5.26 6.02 0.24 -4.12 117.38 122.52 2dkx n GLN 42 Ca 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2dkx n GLN 42 Cb 0.47 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 -1.84 0.00 -3.46 1.08 4.02 0.97 -5.02 117.16 112.91 2dkx n TYR 43 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.72 2dkx n TYR 43 Cb 0.41 0.00 0.08 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 -0.02 -7.02 -3.23 -0.72 5.12 -0.04 -5.00 116.66 105.76 2dkx n ARG 44 Ca 0.00 0.81 -0.28 0.00 -1.93 0.00 0.00 57.85 56.45 2dkx n ARG 44 Cb 0.04 -5.75 -0.03 0.00 -1.16 0.00 0.00 32.46 25.57 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 -6.62 3.99 1.02 0.55 1.43 0.66 -5.02 118.68 114.69 2dkx s LEU 45 Ca 0.28 0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 2dkx s LEU 45 Cb -0.12 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.71 2dkx s LEU 45 CO 0.70 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.95 2dkx s PRO 46 N -3.77 0.23 -0.66 1.29 0.04 -1.26 -4.78 135.00 126.09 2dkx s PRO 46 Ca 0.45 0.44 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 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 -2.85 1.88 -1.25 0.04 0.00 0.00 177.00 175.14 2dkx s PRO 47 N -5.00 2.61 0.04 0.56 0.04 -1.26 -4.78 135.00 127.21 2dkx s PRO 47 Ca 0.66 0.47 0.17 0.00 0.04 0.00 0.00 61.00 62.34 2dkx s PRO 47 Cb -0.18 -4.49 -0.15 0.00 0.04 0.00 0.00 34.50 29.71 2dkx s PRO 47 CO 0.58 -2.84 0.75 -1.33 0.04 0.00 0.00 177.00 174.20 2dkx n MET 48 N 9.14 0.63 -0.42 4.56 2.81 -1.26 -4.22 117.12 128.35 2dkx n MET 48 Ca 0.24 0.19 0.37 0.00 -1.81 0.00 0.00 57.70 56.68 2dkx n MET 48 Cb 0.51 -1.77 0.63 0.00 -0.71 0.00 0.00 33.22 31.88 2dkx n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dkx n GLY 49 N 1.41 -0.79 0.27 3.03 0.00 -1.26 0.20 105.19 108.05 2dkx n GLY 49 Ca -0.11 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 0.95 0.00 1.61 1.63 -1.98 1.05 116.57 119.83 2dkx h LYS 50 Ca 0.84 -0.45 -0.18 0.00 -0.85 0.00 0.00 60.65 60.02 2dkx h LYS 50 Cb 2.61 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 34.21 2dkx h LYS 50 CO -0.51 1.11 -0.84 0.00 -3.45 0.00 0.00 179.45 175.76 2dkx h ALA 51 N 0.85 0.57 -0.57 5.00 0.00 0.20 -3.19 119.26 122.11 2dkx h ALA 51 Ca 0.09 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2dkx h ALA 51 Cb 0.88 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2dkx h ALA 51 CO 0.08 1.04 0.00 1.19 0.00 0.00 0.00 179.25 181.56 2dkx n PHE 52 N -3.47 0.78 -0.19 0.00 3.01 0.11 -4.52 117.46 113.18 2dkx n PHE 52 Ca -0.00 -0.51 0.12 0.00 1.01 0.00 0.00 57.45 58.07 2dkx n PHE 52 Cb 0.82 -0.02 0.43 0.00 -0.01 0.00 0.00 39.48 40.70 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 3.31 0.56 0.00 -1.08 3.07 0.12 -0.45 115.11 120.63 2dkx h GLN 53 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 2dkx h GLN 53 Cb 0.90 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.32 2dkx h GLN 53 CO 0.01 0.37 -1.08 1.05 0.09 0.00 0.00 178.83 179.27 2dkx h GLU 54 N 0.57 0.00 -7.11 0.06 4.11 -1.83 -3.47 114.58 106.91 2dkx h GLU 54 Ca 0.37 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.30 2dkx h GLU 54 Cb 0.63 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.95 2dkx h GLU 54 CO -0.13 0.11 0.40 -0.51 0.07 0.00 0.00 179.01 178.95 2dkx s LEU 55 N -5.57 3.69 0.00 3.06 1.43 -0.18 -5.06 118.68 116.05 2dkx s LEU 55 Ca -0.01 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 2dkx s LEU 55 Cb 0.09 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 2dkx s LEU 55 CO 0.79 -1.14 0.06 0.00 0.23 0.00 0.00 176.35 176.28 2dkx n ALA 56 N -1.46 0.34 0.17 4.21 0.00 -1.26 -4.87 120.51 117.64 2dkx n ALA 56 Ca 0.10 -1.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.01 2dkx n ALA 56 Cb 0.52 0.87 -0.07 0.00 0.00 0.00 0.00 19.45 20.76 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 0.95 -0.71 0.56 0.00 0.00 -1.15 -0.92 103.07 101.80 2dkx h GLY 57 Ca -0.23 0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2dkx h GLY 57 CO 0.37 -0.27 -0.24 0.07 0.00 0.00 0.00 176.54 176.48 2dkx h LYS 58 N -0.64 -0.41 -0.15 4.80 2.10 -1.64 -2.39 116.57 118.25 2dkx h LYS 58 Ca 0.00 0.03 0.03 0.00 -2.00 0.00 0.00 60.65 58.71 2dkx h LYS 58 Cb 0.61 0.09 -0.07 0.00 -0.90 0.00 0.00 32.23 31.97 2dkx h LYS 58 CO -0.12 -0.27 -0.54 0.93 -2.00 0.00 0.00 179.45 177.45 2dkx h GLU 59 N -0.42 -0.55 -0.67 0.07 4.39 -1.88 0.77 114.58 116.29 2dkx h GLU 59 Ca 0.04 0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.87 2dkx h GLU 59 Cb 0.46 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.12 2dkx h GLU 59 CO -0.15 -0.37 -0.45 -0.07 -1.16 0.00 0.00 179.01 176.82 2dkx h LEU 60 N -0.57 -1.56 -1.62 1.33 4.07 -1.01 1.20 115.31 117.15 2dkx h LEU 60 Ca 0.04 0.26 -0.04 0.00 0.08 0.00 0.00 57.88 58.22 2dkx h LEU 60 Cb 0.68 0.72 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 2dkx h LEU 60 CO -0.45 -0.32 -0.21 0.00 -1.08 0.00 0.00 178.44 176.38 2dkx h ALA 62 N 1.79 0.94 -3.39 0.00 0.00 0.61 -3.46 119.26 115.74 2dkx h ALA 62 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2dkx h ALA 62 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.32 2dkx h ALA 62 CO 0.03 0.00 0.18 -1.33 0.00 0.00 0.00 179.25 178.13 2dkx n MET 63 N -2.53 -1.24 -4.20 0.00 2.00 0.36 -5.02 117.12 106.48 2dkx n MET 63 Ca 0.05 -1.09 -0.18 0.00 0.00 0.00 0.00 57.70 56.47 2dkx n MET 63 Cb 0.47 -0.82 -0.12 0.00 0.00 0.00 0.00 33.22 32.75 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 -3.54 1.51 0.12 7.83 0.01 -1.26 -5.02 113.70 113.36 2dkx s SER 64 Ca 0.41 -0.55 -0.22 0.00 1.31 0.00 0.00 55.95 56.90 2dkx s SER 64 Cb -0.02 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 2dkx s SER 64 CO 0.30 -0.06 1.14 1.21 0.41 0.00 0.00 173.24 176.24 2dkx n GLU 65 N 1.51 -0.31 -0.32 12.44 2.13 -1.26 0.19 120.64 135.03 2dkx n GLU 65 Ca -0.20 1.12 0.11 0.00 0.66 0.00 0.00 57.16 58.84 2dkx n GLU 65 Cb 0.54 -1.65 0.28 0.00 0.27 0.00 0.00 31.44 30.88 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 0.60 -0.61 5.31 4.81 -1.97 0.00 114.58 122.73 2dkx h GLU 66 Ca 0.13 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2dkx h GLU 66 Cb 0.32 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2dkx h GLU 66 CO -0.70 0.40 0.39 1.96 -0.73 0.00 0.00 179.01 180.33 2dkx h GLN 67 N 0.62 0.76 0.00 1.92 1.08 0.18 -0.85 115.11 118.82 2dkx h GLN 67 Ca 0.53 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.66 2dkx h GLN 67 Cb 0.83 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2dkx h GLN 67 CO -0.41 0.51 -0.07 0.74 -0.95 0.00 0.00 178.83 178.65 2dkx h PHE 68 N 0.79 0.00 0.00 2.96 -1.00 0.24 -1.09 116.94 118.84 2dkx h PHE 68 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2dkx h PHE 68 Cb -0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.52 2dkx h PHE 68 CO -0.04 0.07 -0.69 0.00 -1.61 0.00 0.00 178.31 176.04 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.66 -2.49 114.38 115.82 2dkx h ARG 69 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2dkx h ARG 69 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2dkx h ARG 69 CO 0.01 0.00 -0.30 1.96 -1.07 0.00 0.00 179.97 180.56 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.11 -3.17 115.11 113.17 2dkx h GLN 70 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 2dkx h GLN 70 Cb 0.99 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.38 2dkx h GLN 70 CO 0.00 0.30 -2.02 2.89 -0.95 0.00 0.00 178.83 179.05 2dkx n ARG 71 N -3.77 1.30 -3.71 1.46 1.85 -1.21 -4.85 116.66 107.73 2dkx n ARG 71 Ca -0.01 -0.03 -0.30 0.00 -1.00 0.00 0.00 57.85 56.51 2dkx n ARG 71 Cb 0.40 -1.40 -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 -4.76 3.85 0.01 2.89 0.15 -0.94 -4.96 113.70 109.93 2dkx s SER 72 Ca -0.07 -2.01 -0.23 0.00 0.70 0.00 0.00 55.95 54.33 2dkx s SER 72 Cb 0.06 -0.90 -0.17 0.00 -1.71 0.00 0.00 66.02 63.29 2dkx s SER 72 CO 0.65 -0.36 1.30 1.55 1.20 0.00 0.00 173.24 177.59 2dkx h PRO 73 N 7.55 0.17 0.00 5.44 0.13 -1.82 0.30 132.00 143.77 2dkx h PRO 73 Ca -0.08 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 2dkx h PRO 73 Cb 0.98 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dkx h PRO 73 CO 0.46 0.61 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.72 2dkx h LEU 74 N -0.26 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.64 2dkx h LEU 74 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dkx h LEU 74 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dkx h LEU 74 CO 0.02 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2dkx n GLY 75 N -0.75 0.49 5.67 0.83 0.00 -1.16 -4.92 105.19 105.35 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 4.53 0.38 0.32 -0.02 0.00 0.10 -2.15 105.19 108.36 2dkx n GLY 76 Ca 0.00 0.24 0.30 0.00 0.00 0.00 0.00 46.02 46.56 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 0.32 -0.13 1.61 2.03 -1.80 0.33 116.42 118.78 2dkx h ASP 77 Ca 0.00 0.25 0.05 0.00 -0.73 0.00 0.00 57.03 56.59 2dkx h ASP 77 Cb 0.00 0.25 -0.06 0.00 -0.83 0.00 0.00 39.33 38.70 2dkx h ASP 77 CO 0.00 -0.38 -0.23 0.58 -1.03 0.00 0.00 179.24 178.18 2dkx h VAL 78 N 0.06 0.44 0.45 4.15 2.07 -1.80 0.17 116.25 121.79 2dkx h VAL 78 Ca 0.82 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.32 2dkx h VAL 78 Cb 2.10 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2dkx h VAL 78 CO -0.75 0.00 -0.28 -0.07 0.02 0.00 0.00 177.57 176.49 2dkx h LEU 79 N -0.29 -0.72 -1.88 2.57 3.38 -0.61 0.26 115.31 118.03 2dkx h LEU 79 Ca 0.10 0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.37 2dkx h LEU 79 Cb 0.44 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2dkx h LEU 79 CO -0.30 -0.43 0.76 -0.74 0.09 0.00 0.00 178.44 177.81 2dkx h HIS 80 N -0.69 0.00 0.03 1.13 2.76 -1.40 0.41 115.15 117.39 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 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2dkx h HIS 80 CO -0.02 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 176.60 2dkx h ALA 81 N 1.34 -0.12 0.00 5.26 0.00 -0.03 -2.64 119.26 123.08 2dkx h ALA 81 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2dkx h ALA 81 Cb 1.94 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2dkx h ALA 81 CO -0.00 -0.11 0.06 1.58 0.00 0.00 0.00 179.25 180.77 2dkx n HIS 82 N -2.71 0.37 0.06 0.00 -0.00 0.87 -1.08 115.22 112.73 2dkx n HIS 82 Ca -0.00 0.19 -0.23 0.00 -0.00 0.00 0.00 57.72 57.68 2dkx n HIS 82 Cb 0.01 -0.76 -0.15 0.00 -0.00 0.00 0.00 29.99 29.10 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 0.58 -0.81 0.27 5.85 -0.28 -3.36 115.31 117.56 2dkx h LEU 83 Ca 0.00 -0.94 0.20 0.00 0.84 0.00 0.00 57.88 57.98 2dkx h LEU 83 Cb 0.12 -0.19 -0.14 0.00 0.37 0.00 0.00 40.66 40.82 2dkx h LEU 83 CO 0.00 1.80 0.09 -0.78 -0.34 0.00 0.00 178.44 179.22 2dkx h ASP 84 N 0.10 -0.22 -0.88 1.25 3.58 -0.72 0.54 116.42 120.08 2dkx h ASP 84 Ca -0.36 0.20 0.13 0.00 0.42 0.00 0.00 57.03 57.42 2dkx h ASP 84 Cb 2.09 0.32 -0.07 0.00 1.72 0.00 0.00 39.33 43.39 2dkx h ASP 84 CO 0.16 -0.17 0.57 0.40 -2.88 0.00 0.00 179.24 177.31 2dkx h ILE 85 N 0.14 0.86 0.07 2.25 5.03 -1.71 0.31 117.51 124.46 2dkx h ILE 85 Ca 0.47 -0.24 -0.00 0.00 -0.12 0.00 0.00 64.86 64.97 2dkx h ILE 85 Cb 0.89 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.77 2dkx h ILE 85 CO -0.67 0.13 -0.03 -0.50 -0.68 0.00 0.00 178.15 176.39 2dkx h TRP 86 N 0.71 -0.09 -0.99 1.37 4.06 -0.15 -2.75 115.95 118.10 2dkx h TRP 86 Ca 0.44 -0.00 0.27 0.00 2.06 0.00 0.00 58.89 61.65 2dkx h TRP 86 Cb 0.67 0.03 -0.13 0.00 -1.00 0.00 0.00 29.16 28.73 2dkx h TRP 86 CO -0.00 -0.06 0.57 1.57 -3.56 0.00 0.00 178.44 176.96 2dkx h LYS 87 N -0.31 0.47 -0.53 0.49 2.10 -1.13 0.60 116.57 118.26 2dkx h LYS 87 Ca -0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2dkx h LYS 87 Cb 0.07 -0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.27 2dkx h LYS 87 CO 0.02 0.31 0.28 1.03 -2.00 0.00 0.00 179.45 179.08 2dkx h SER 88 N 0.48 0.67 1.15 7.07 0.87 -0.49 0.25 113.55 123.55 2dkx h SER 88 Ca 0.67 -0.11 -0.10 0.00 -1.23 0.00 0.00 61.79 61.02 2dkx h SER 88 Cb 1.35 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2dkx h SER 88 CO -0.52 0.59 -0.50 0.00 -0.53 0.00 0.00 176.83 175.87 2dkx h ALA 89 N 1.11 0.78 0.00 6.23 0.00 -0.23 -3.10 119.26 124.05 2dkx h ALA 89 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dkx h ALA 89 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dkx h ALA 89 CO -0.03 0.62 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 2dkx h ALA 90 N 1.50 0.88 -0.81 0.00 0.00 0.45 -3.27 119.26 118.02 2dkx h ALA 90 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 2dkx h ALA 90 Cb 1.21 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.75 2dkx h ALA 90 CO 0.06 0.00 0.57 0.45 0.00 0.00 0.00 179.25 180.33 2dkx n SER 91 N -2.99 4.29 -0.05 0.00 2.88 0.83 -5.02 113.62 113.57 2dkx n SER 91 Ca 0.03 -3.35 0.01 0.00 -1.33 0.00 0.00 58.87 54.23 2dkx n SER 91 Cb 0.53 -0.82 -0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 -0.77 -2.45 0.00 0.46 0.00 -1.23 -4.41 105.19 96.79 2dkx n GLY 92 Ca 0.49 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 45.14 2dkx n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkx n PRO 93 N -2.22 0.42 -1.10 1.61 -0.04 -1.26 -4.56 135.00 127.84 2dkx n PRO 93 Ca -0.00 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 2dkx n PRO 93 Cb 0.02 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.01 2dkx n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dkx n SER 94 N -1.07 -4.86 -0.34 3.54 3.41 -1.26 -4.74 113.62 108.29 2dkx n SER 94 Ca 0.11 0.40 -0.02 0.00 -0.26 0.00 0.00 58.87 59.10 2dkx n SER 94 Cb 0.07 -0.79 0.02 0.00 -0.26 0.00 0.00 64.21 63.25 2dkx n SER 94 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dkx n SER 95 N 2.99 -0.62 0.00 4.04 7.64 -1.26 -5.06 113.62 121.35 2dkx n SER 95 Ca 0.03 1.53 0.00 0.00 1.01 0.00 0.00 58.87 61.44 2dkx n SER 95 Cb 0.51 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64