#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 6.11 0.08 1.61 0.15 -1.26 -5.04 113.70 115.36 2dkx s SER 2 Ca 0.00 -0.81 -0.37 0.00 0.70 0.00 0.00 55.95 55.47 2dkx s SER 2 Cb 0.00 -2.16 -0.17 0.00 -1.71 0.00 0.00 66.02 61.98 2dkx s SER 2 CO 0.00 -0.43 1.27 -1.20 1.20 0.00 0.00 173.24 174.09 2dkx n SER 3 N 5.18 1.32 -3.15 5.45 7.64 -1.26 -4.96 113.62 123.85 2dkx n SER 3 Ca -0.11 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2dkx n SER 3 Cb 0.47 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2dkx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkx n GLY 4 N 2.30 -0.39 3.55 0.23 0.00 -1.26 -5.05 105.19 104.57 2dkx n GLY 4 Ca 0.18 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 2dkx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkx s SER 5 N -1.15 0.17 0.36 1.61 0.01 -1.26 -5.12 113.70 108.33 2dkx s SER 5 Ca 0.00 -1.11 -0.26 0.00 1.31 0.00 0.00 55.95 55.89 2dkx s SER 5 Cb 0.00 0.60 -0.09 0.00 0.21 0.00 0.00 66.02 66.74 2dkx s SER 5 CO 0.00 -1.19 1.04 -0.44 0.41 0.00 0.00 173.24 173.06 2dkx s SER 6 N -3.08 6.97 0.00 2.44 0.01 -1.26 -4.22 113.70 114.56 2dkx s SER 6 Ca 0.25 2.05 0.00 0.00 1.31 0.00 0.00 55.95 59.57 2dkx s SER 6 Cb -0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dkx s SER 6 CO 0.12 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dkx n GLY 7 N 0.58 2.80 0.15 3.44 0.00 -1.26 -4.85 105.19 106.05 2dkx n GLY 7 Ca 0.03 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 0.65 -0.22 0.99 -0.00 -1.26 -2.87 117.00 114.29 2dkx n LEU 8 Ca 0.00 0.72 0.31 0.00 -0.00 0.00 0.00 56.01 57.04 2dkx n LEU 8 Cb 0.00 -0.71 0.64 0.00 -0.00 0.00 0.00 43.42 43.35 2dkx n LEU 8 CO 0.00 -0.76 1.28 0.11 -0.00 0.00 0.00 177.39 178.02 2dkx h LYS 9 N 0.00 0.00 0.00 1.47 1.79 -1.89 1.48 116.57 119.42 2dkx h LYS 9 Ca 0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 2dkx h LYS 9 Cb 0.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 2dkx h LYS 9 CO 0.00 0.00 -1.65 -0.25 -1.08 0.00 0.00 179.45 176.47 2dkx n ASP 10 N -3.64 0.73 0.08 0.86 8.00 -1.14 -4.13 116.55 117.31 2dkx n ASP 10 Ca 0.22 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.92 2dkx n ASP 10 Cb 1.30 0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 42.59 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 0.95 -1.00 0.53 2.04 0.19 -2.78 117.51 117.44 2dkx h ILE 11 Ca -0.24 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.54 2dkx h ILE 11 Cb 1.78 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 38.87 2dkx h ILE 11 CO 0.05 0.06 0.62 1.05 0.00 0.00 0.00 178.15 179.93 2dkx h GLU 12 N -0.26 0.85 0.00 2.37 4.11 -1.60 0.31 114.58 120.36 2dkx h GLU 12 Ca -0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2dkx h GLU 12 Cb 0.21 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2dkx h GLU 12 CO 0.03 0.56 -0.02 1.15 0.07 0.00 0.00 179.01 180.80 2dkx h THR 13 N 0.87 0.35 0.00 -1.06 2.02 -1.65 0.30 112.91 113.74 2dkx h THR 13 Ca 0.53 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.61 2dkx h THR 13 Cb 0.69 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2dkx h THR 13 CO -0.31 0.02 -0.77 0.00 0.37 0.00 0.00 175.52 174.83 2dkx n ALA 14 N -2.23 3.41 0.92 6.16 0.00 0.10 -3.85 120.51 125.03 2dkx n ALA 14 Ca -0.03 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2dkx n ALA 14 Cb 0.11 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 0.35 -0.00 0.00 1.57 -1.42 0.21 116.57 117.28 2dkx h LYS 16 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2dkx h LYS 16 Cb 0.54 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2dkx h LYS 16 CO 0.00 0.96 -0.07 1.47 -0.57 0.00 0.00 179.45 181.24 2dkx n LEU 17 N -4.38 0.28 -0.01 2.94 -0.00 -1.26 -3.39 117.00 111.18 2dkx n LEU 17 Ca -0.09 0.11 0.06 0.00 -0.00 0.00 0.00 56.01 56.09 2dkx n LEU 17 Cb 0.54 -0.22 -0.10 0.00 -0.00 0.00 0.00 43.42 43.64 2dkx n LEU 17 CO 0.43 0.05 -0.68 0.18 -0.00 0.00 0.00 177.39 177.37 2dkx n LEU 18 N -1.09 0.00 -2.58 1.47 4.77 -1.20 -5.01 117.00 113.36 2dkx n LEU 18 Ca 0.14 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 2dkx n LEU 18 Cb 0.26 0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 2dkx n LEU 18 CO 0.24 0.02 0.08 -3.20 -1.33 0.00 0.00 177.39 173.19 2dkx n ASN 19 N -2.00 -5.21 -4.76 -1.43 2.85 0.71 -5.02 115.26 100.41 2dkx n ASN 19 Ca -0.04 -0.30 -0.31 0.00 -0.11 0.00 0.00 54.58 53.82 2dkx n ASN 19 Cb 0.39 -3.96 -0.07 0.00 1.24 0.00 0.00 39.78 37.37 2dkx n ASN 19 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2dkx s ILE 20 N -3.12 1.42 0.00 -1.44 -4.36 -0.97 -5.06 121.20 107.68 2dkx s ILE 20 Ca 0.32 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.62 2dkx s ILE 20 Cb -0.14 -2.34 -0.06 0.00 1.25 0.00 0.00 42.46 41.17 2dkx s ILE 20 CO 0.40 0.00 0.51 0.28 0.24 0.00 0.00 174.94 176.37 2dkx s THR 21 N -2.82 4.94 0.49 8.37 -1.32 -1.26 -4.78 115.64 119.26 2dkx s THR 21 Ca 0.16 1.06 0.29 0.00 -1.21 0.00 0.00 61.69 61.98 2dkx s THR 21 Cb 0.03 -3.83 0.48 0.00 -1.51 0.00 0.00 72.50 67.66 2dkx s THR 21 CO 0.09 0.50 1.81 0.00 -2.21 0.00 0.00 174.62 174.81 2dkx h ALA 22 N 5.17 2.73 -2.12 11.08 0.00 -1.95 -3.38 119.26 130.79 2dkx h ALA 22 Ca -0.48 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 2dkx h ALA 22 Cb 1.21 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2dkx h ALA 22 CO 0.66 -1.08 0.77 0.34 0.00 0.00 0.00 179.25 179.94 2dkx s ASP 23 N -5.30 7.11 0.27 0.00 -1.08 -1.26 -4.86 116.67 111.56 2dkx s ASP 23 Ca -0.06 1.44 0.05 0.00 -0.52 0.00 0.00 52.55 53.45 2dkx s ASP 23 Cb 0.23 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.52 2dkx s ASP 23 CO 0.80 -0.64 1.65 1.55 0.52 0.00 0.00 175.17 179.05 2dkx h PRO 24 N 7.45 0.29 0.00 4.34 0.13 -1.87 -2.63 132.00 139.71 2dkx h PRO 24 Ca -0.22 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2dkx h PRO 24 Cb 1.08 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2dkx h PRO 24 CO 0.96 0.69 0.00 -1.33 -0.23 0.00 0.00 178.00 178.09 2dkx n MET 25 N -3.99 0.25 0.00 0.86 2.81 -1.25 -1.86 117.12 113.94 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 -0.01 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.49 -4.50 7.83 8.00 -1.00 -3.01 116.55 124.08 2dkx n ASP 26 Ca 0.08 -1.24 -0.47 0.00 0.71 0.00 0.00 54.79 53.87 2dkx n ASP 26 Cb 0.13 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.24 1.67 -3.50 1.24 8.01 -0.78 -4.88 117.44 118.96 2dkx n TRP 27 Ca 0.06 0.14 -0.10 0.00 -1.31 0.00 0.00 57.50 56.29 2dkx n TRP 27 Cb 0.31 -2.60 -0.03 0.00 -2.01 0.00 0.00 31.31 26.99 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 8.04 -0.40 0.07 -0.99 1.04 -1.26 -1.48 113.70 118.72 2dkx s SER 28 Ca 1.07 0.08 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 2dkx s SER 28 Cb -0.65 0.41 -0.11 0.00 0.10 0.00 0.00 66.02 65.76 2dkx s SER 28 CO 0.43 -0.63 1.38 1.55 0.98 0.00 0.00 173.24 176.95 2dkx h PRO 29 N 2.11 0.53 -0.62 4.02 0.13 -2.03 -3.38 132.00 132.76 2dkx h PRO 29 Ca -0.23 -0.28 -0.44 0.00 -0.87 0.00 0.00 66.00 64.18 2dkx h PRO 29 Cb 1.24 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 2dkx h PRO 29 CO 0.32 0.86 -0.86 -1.13 -0.23 0.00 0.00 178.00 176.95 2dkx n SER 30 N -4.41 3.95 0.22 1.44 3.41 -1.26 -4.80 113.62 112.16 2dkx n SER 30 Ca -0.05 -3.37 0.05 0.00 -0.26 0.00 0.00 58.87 55.24 2dkx n SER 30 Cb 0.41 -0.38 0.50 0.00 -0.26 0.00 0.00 64.21 64.48 2dkx n SER 30 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2dkx h ASN 31 N 2.17 0.01 -0.79 4.04 4.21 -1.78 -2.87 115.58 120.57 2dkx h ASN 31 Ca 0.23 -0.00 0.19 0.00 1.21 0.00 0.00 56.30 57.92 2dkx h ASN 31 Cb 1.46 -0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.52 2dkx h ASN 31 CO 0.58 0.18 0.13 0.58 -1.29 0.00 0.00 177.43 177.61 2dkx h VAL 32 N 0.01 0.38 -1.01 2.81 2.07 -1.87 0.43 116.25 119.07 2dkx h VAL 32 Ca 0.00 -0.06 0.26 0.00 0.82 0.00 0.00 66.70 67.71 2dkx h VAL 32 Cb 0.31 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 2dkx h VAL 32 CO 0.02 0.03 0.67 1.56 0.02 0.00 0.00 177.57 179.87 2dkx h GLN 33 N 0.19 0.33 0.42 1.57 1.08 -1.86 -0.60 115.11 116.24 2dkx h GLN 33 Ca 0.46 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 2dkx h GLN 33 Cb 0.84 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 2dkx h GLN 33 CO -0.62 0.22 -0.20 0.87 -0.95 0.00 0.00 178.83 178.15 2dkx h LYS 34 N 0.34 -0.54 -0.16 1.46 1.57 -0.32 -2.38 116.57 116.55 2dkx h LYS 34 Ca 0.55 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.41 2dkx h LYS 34 Cb 1.50 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 2dkx h LYS 34 CO -0.22 -0.24 0.28 2.35 -0.57 0.00 0.00 179.45 181.05 2dkx h TRP 35 N -1.00 0.00 0.00 -1.35 7.01 -1.10 -1.41 115.95 118.11 2dkx h TRP 35 Ca -0.06 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2dkx h TRP 35 Cb 0.55 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 2dkx h TRP 35 CO 0.02 0.00 0.00 1.28 -2.79 0.00 0.00 178.44 176.95 2dkx n LEU 36 N -3.39 0.69 -0.32 0.65 4.77 -0.32 -3.57 117.00 115.51 2dkx n LEU 36 Ca 0.01 0.46 0.36 0.00 -0.03 0.00 0.00 56.01 56.81 2dkx n LEU 36 Cb 0.39 -0.36 0.73 0.00 -2.33 0.00 0.00 43.42 41.85 2dkx n LEU 36 CO 0.22 -0.36 1.33 0.17 -1.33 0.00 0.00 177.39 177.42 2dkx h LEU 37 N 0.00 0.00 0.00 2.23 8.10 -1.31 0.26 115.31 124.59 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 -3.96 0.00 0.10 0.17 -0.00 -0.54 -2.06 117.44 111.14 2dkx n TRP 38 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.74 2dkx n TRP 38 Cb 1.33 -0.34 0.20 0.00 -0.00 0.00 0.00 31.31 32.50 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 1.33 -0.93 5.87 2.02 -1.47 -2.97 112.91 116.77 2dkx h THR 39 Ca 0.00 -1.64 0.23 0.00 0.77 0.00 0.00 66.41 65.77 2dkx h THR 39 Cb 0.00 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 68.12 2dkx h THR 39 CO 0.00 0.49 0.63 -0.08 0.37 0.00 0.00 175.52 176.92 2dkx h GLU 40 N 0.18 0.28 0.00 6.66 4.81 -0.51 0.85 114.58 126.85 2dkx h GLU 40 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2dkx h GLU 40 Cb 0.89 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2dkx h GLU 40 CO 0.07 0.18 -0.41 1.25 -0.73 0.00 0.00 179.01 179.38 2dkx h HIS 41 N 0.28 0.00 0.00 0.92 2.76 -1.24 0.15 115.15 118.02 2dkx h HIS 41 Ca 0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 2dkx h HIS 41 Cb 1.40 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.36 2dkx h HIS 41 CO -0.00 0.00 -0.79 1.04 -1.30 0.00 0.00 177.93 176.88 2dkx n GLN 42 N -2.31 0.05 0.00 5.26 6.02 0.27 -4.15 117.38 122.52 2dkx n GLN 42 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2dkx n GLN 42 Cb 0.46 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.59 0.00 -3.30 1.08 4.02 0.53 -5.02 117.16 112.88 2dkx n TYR 43 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.77 2dkx n TYR 43 Cb 0.35 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.23 -6.09 -3.47 -0.72 5.12 -0.27 -5.01 116.66 105.98 2dkx n ARG 44 Ca 0.00 0.72 -0.25 0.00 -1.93 0.00 0.00 57.85 56.39 2dkx n ARG 44 Cb 0.03 -5.39 -0.02 0.00 -1.16 0.00 0.00 32.46 25.92 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 -5.97 4.08 0.87 0.55 1.43 0.36 -5.03 118.68 114.96 2dkx s LEU 45 Ca 0.18 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 2dkx s LEU 45 Cb -0.08 -3.29 0.11 0.00 0.03 0.00 0.00 46.19 42.96 2dkx s LEU 45 CO 0.62 -0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.92 2dkx s PRO 46 N -3.97 1.50 -0.68 1.29 0.04 -1.26 -4.79 135.00 127.12 2dkx s PRO 46 Ca 0.40 0.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.08 2dkx s PRO 46 Cb -0.10 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2dkx s PRO 46 CO 0.33 -2.10 1.89 -1.25 0.04 0.00 0.00 177.00 175.91 2dkx s PRO 47 N -4.93 2.60 0.09 0.56 0.04 -1.26 -4.78 135.00 127.32 2dkx s PRO 47 Ca 0.63 0.39 0.16 0.00 0.04 0.00 0.00 61.00 62.22 2dkx s PRO 47 Cb -0.18 -4.56 -0.11 0.00 0.04 0.00 0.00 34.50 29.70 2dkx s PRO 47 CO 0.57 -2.90 0.93 0.52 0.04 0.00 0.00 177.00 176.15 2dkx h MET 48 N 14.07 0.00 -0.86 4.56 2.86 -1.96 -3.37 114.93 130.23 2dkx h MET 48 Ca -0.17 0.00 0.31 0.00 -2.06 0.00 0.00 59.70 57.78 2dkx h MET 48 Cb 1.12 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.63 2dkx h MET 48 CO 1.22 0.33 0.28 0.41 1.06 0.00 0.00 176.91 180.20 2dkx n GLY 49 N 1.37 -0.86 0.31 8.32 0.00 -1.26 0.24 105.19 113.30 2dkx n GLY 49 Ca -0.08 0.76 -0.06 0.00 0.00 0.00 0.00 46.02 46.64 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 0.98 0.00 1.61 3.64 -1.99 0.53 116.57 121.33 2dkx h LYS 50 Ca 0.64 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2dkx h LYS 50 Cb 1.57 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 2dkx h LYS 50 CO -0.72 0.90 -0.02 0.00 -2.27 0.00 0.00 179.45 177.34 2dkx h ALA 51 N 1.19 0.99 -0.30 5.00 0.00 0.28 -3.16 119.26 123.25 2dkx h ALA 51 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dkx h ALA 51 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dkx h ALA 51 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2dkx n PHE 52 N -2.93 0.39 -0.31 0.00 3.01 0.12 -4.57 117.46 113.18 2dkx n PHE 52 Ca 0.04 -0.29 0.09 0.00 1.01 0.00 0.00 57.45 58.31 2dkx n PHE 52 Cb 0.51 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 40.23 2dkx n PHE 52 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2dkx h GLN 53 N 3.05 0.59 0.00 -1.08 4.20 0.08 0.32 115.11 122.27 2dkx h GLN 53 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dkx h GLN 53 Cb 0.77 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2dkx h GLN 53 CO 0.00 0.39 -0.19 1.05 -0.67 0.00 0.00 178.83 179.40 2dkx h GLU 54 N 0.60 0.00 -7.07 1.46 4.11 -1.83 -3.46 114.58 108.40 2dkx h GLU 54 Ca 0.50 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 59.49 2dkx h GLU 54 Cb 0.78 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2dkx h GLU 54 CO -0.40 0.00 0.34 -0.51 0.07 0.00 0.00 179.01 178.51 2dkx s LEU 55 N -4.98 3.92 0.26 3.06 1.43 0.11 -5.08 118.68 117.41 2dkx s LEU 55 Ca 0.08 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2dkx s LEU 55 Cb 0.10 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.73 2dkx s LEU 55 CO 0.65 -0.37 0.05 0.00 0.23 0.00 0.00 176.35 176.91 2dkx s ALA 56 N -2.21 1.87 0.22 4.21 0.00 -1.26 -4.90 121.76 119.69 2dkx s ALA 56 Ca 0.62 -1.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.54 2dkx s ALA 56 Cb -0.09 0.77 0.21 0.00 0.00 0.00 0.00 23.12 24.01 2dkx s ALA 56 CO 0.14 -0.36 1.48 0.41 0.00 0.00 0.00 175.76 177.44 2dkx n GLY 57 N -0.49 -2.01 0.44 0.00 0.00 -0.55 -0.94 105.19 101.65 2dkx n GLY 57 Ca -0.02 1.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.91 2dkx n GLY 57 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dkx h LYS 58 N 0.00 -0.82 -0.30 1.61 2.10 -1.66 -2.72 116.57 114.78 2dkx h LYS 58 Ca 0.32 0.06 0.04 0.00 -2.00 0.00 0.00 60.65 59.06 2dkx h LYS 58 Cb 0.56 0.19 -0.06 0.00 -0.90 0.00 0.00 32.23 32.02 2dkx h LYS 58 CO -0.95 -0.55 -0.38 0.93 -2.00 0.00 0.00 179.45 176.51 2dkx h GLU 59 N -0.85 -0.24 -0.89 0.07 4.39 -1.39 0.54 114.58 116.20 2dkx h GLU 59 Ca -0.03 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.78 2dkx h GLU 59 Cb 0.76 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.35 2dkx h GLU 59 CO -0.09 -0.16 -0.47 1.28 -1.16 0.00 0.00 179.01 178.41 2dkx n LEU 60 N -4.51 -0.82 0.23 1.33 4.32 -0.34 0.21 117.00 117.42 2dkx n LEU 60 Ca -0.02 1.57 0.08 0.00 -0.02 0.00 0.00 56.01 57.62 2dkx n LEU 60 Cb 0.23 -0.25 0.54 0.00 -1.62 0.00 0.00 43.42 42.31 2dkx n LEU 60 CO -0.00 -1.32 0.86 0.00 -1.22 0.00 0.00 177.39 175.70 2dkx n ALA 62 N -2.38 2.53 -1.88 0.00 0.00 0.58 -4.86 120.51 114.50 2dkx n ALA 62 Ca -0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2dkx n ALA 62 Cb 0.31 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.75 -0.64 -4.16 0.00 2.00 0.35 -5.01 117.12 107.91 2dkx n MET 63 Ca 0.06 -1.57 -0.17 0.00 0.00 0.00 0.00 57.70 56.02 2dkx n MET 63 Cb 0.37 -0.83 -0.12 0.00 0.00 0.00 0.00 33.22 32.64 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 -4.27 1.52 0.12 7.83 0.01 -1.26 -5.01 113.70 112.64 2dkx s SER 64 Ca 0.51 -0.63 -0.21 0.00 1.31 0.00 0.00 55.95 56.93 2dkx s SER 64 Cb -0.02 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2dkx s SER 64 CO 0.36 -0.12 1.10 1.21 0.41 0.00 0.00 173.24 176.19 2dkx n GLU 65 N 1.20 -0.29 -0.29 12.44 2.13 -1.26 0.20 120.64 134.77 2dkx n GLU 65 Ca -0.21 1.08 0.08 0.00 0.66 0.00 0.00 57.16 58.77 2dkx n GLU 65 Cb 0.55 -1.58 0.24 0.00 0.27 0.00 0.00 31.44 30.91 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 0.54 -0.43 5.31 3.07 -1.97 -0.70 114.58 120.40 2dkx h GLU 66 Ca 0.13 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 2dkx h GLU 66 Cb 0.31 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 2dkx h GLU 66 CO -0.67 0.36 0.18 1.96 -1.40 0.00 0.00 179.01 179.43 2dkx h GLN 67 N 0.56 0.35 0.00 2.33 1.08 0.19 0.64 115.11 120.26 2dkx h GLN 67 Ca 0.48 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.64 2dkx h GLN 67 Cb 0.73 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2dkx h GLN 67 CO -0.40 0.23 -0.06 0.74 -0.95 0.00 0.00 178.83 178.39 2dkx h PHE 68 N 0.36 0.00 0.00 2.96 -1.00 -0.10 -1.07 116.94 118.09 2dkx h PHE 68 Ca 0.20 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.95 2dkx h PHE 68 Cb 0.16 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.71 2dkx h PHE 68 CO -0.13 0.06 -0.77 0.00 -1.61 0.00 0.00 178.31 175.85 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.47 -2.34 114.38 116.16 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 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2dkx h ARG 69 CO 0.01 0.06 -0.31 1.96 -1.07 0.00 0.00 179.97 180.62 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.41 -3.16 115.11 113.48 2dkx h GLN 70 Ca -0.02 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.94 2dkx h GLN 70 Cb 1.09 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.47 2dkx h GLN 70 CO 0.01 0.31 -2.02 2.89 -0.95 0.00 0.00 178.83 179.07 2dkx n ARG 71 N -3.84 1.29 -3.68 1.46 1.85 -1.20 -4.85 116.66 107.69 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 0.39 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.26 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 3.76 0.03 2.89 0.15 -0.88 -5.00 113.70 109.89 2dkx s SER 72 Ca -0.07 -1.97 -0.21 0.00 0.70 0.00 0.00 55.95 54.39 2dkx s SER 72 Cb 0.06 -0.82 -0.15 0.00 -1.71 0.00 0.00 66.02 63.39 2dkx s SER 72 CO 0.65 -0.36 1.33 1.55 1.20 0.00 0.00 173.24 177.61 2dkx h PRO 73 N 7.58 0.31 0.00 5.44 0.13 -1.81 0.28 132.00 143.92 2dkx h PRO 73 Ca -0.08 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2dkx h PRO 73 Cb 0.98 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2dkx h PRO 73 CO 0.45 0.70 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.79 2dkx h LEU 74 N -0.08 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.82 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 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2dkx h LEU 74 CO 0.03 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2dkx n GLY 75 N -0.77 0.47 5.71 0.83 0.00 -1.15 -4.89 105.19 105.39 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 4.23 0.38 0.33 -0.02 0.00 0.96 -2.12 105.19 108.95 2dkx n GLY 76 Ca 0.00 0.21 0.27 0.00 0.00 0.00 0.00 46.02 46.50 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 0.11 -0.12 1.61 2.03 -1.80 0.28 116.42 118.53 2dkx h ASP 77 Ca 0.00 0.26 0.05 0.00 -0.73 0.00 0.00 57.03 56.61 2dkx h ASP 77 Cb 0.00 0.32 -0.06 0.00 -0.83 0.00 0.00 39.33 38.76 2dkx h ASP 77 CO 0.00 -0.41 -0.34 0.58 -1.03 0.00 0.00 179.24 178.04 2dkx h VAL 78 N 0.01 0.26 0.49 4.15 2.07 -1.80 0.38 116.25 121.81 2dkx h VAL 78 Ca 0.78 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.29 2dkx h VAL 78 Cb 1.97 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2dkx h VAL 78 CO -0.81 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 176.37 2dkx h LEU 79 N -0.42 -0.87 -2.07 2.57 3.38 -0.72 0.35 115.31 117.54 2dkx h LEU 79 Ca 0.09 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2dkx h LEU 79 Cb 0.56 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2dkx h LEU 79 CO -0.36 -0.51 0.33 -0.74 0.09 0.00 0.00 178.44 177.25 2dkx h HIS 80 N -0.80 0.00 0.00 1.13 2.76 -1.16 0.33 115.15 117.41 2dkx h HIS 80 Ca -0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2dkx h HIS 80 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.63 2dkx h HIS 80 CO -0.13 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 176.49 2dkx h ALA 81 N 1.68 0.00 0.00 5.26 0.00 0.66 -2.92 119.26 123.94 2dkx h ALA 81 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dkx h ALA 81 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dkx h ALA 81 CO -0.00 0.02 0.08 1.58 0.00 0.00 0.00 179.25 180.93 2dkx n HIS 82 N -2.69 0.45 0.06 0.00 -0.00 0.12 -0.92 115.22 112.24 2dkx n HIS 82 Ca -0.00 0.24 -0.21 0.00 -0.00 0.00 0.00 57.72 57.74 2dkx n HIS 82 Cb 0.01 -0.81 -0.15 0.00 -0.00 0.00 0.00 29.99 29.04 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 0.55 -0.92 0.27 5.85 -0.46 -3.35 115.31 117.25 2dkx h LEU 83 Ca 0.00 -0.85 0.24 0.00 0.84 0.00 0.00 57.88 58.11 2dkx h LEU 83 Cb 0.17 -0.18 -0.13 0.00 0.37 0.00 0.00 40.66 40.89 2dkx h LEU 83 CO 0.00 1.72 0.40 -0.78 -0.34 0.00 0.00 178.44 179.44 2dkx h ASP 84 N 0.10 0.31 -0.78 1.25 1.82 -0.82 0.52 116.42 118.81 2dkx h ASP 84 Ca -0.34 0.17 0.07 0.00 -0.39 0.00 0.00 57.03 56.54 2dkx h ASP 84 Cb 2.08 0.16 -0.05 0.00 0.68 0.00 0.00 39.33 42.20 2dkx h ASP 84 CO 0.16 -0.06 0.51 0.40 -1.61 0.00 0.00 179.24 178.65 2dkx h ILE 85 N 0.35 1.02 0.08 2.25 5.03 -1.70 0.21 117.51 124.76 2dkx h ILE 85 Ca 0.60 -0.28 -0.00 0.00 -0.12 0.00 0.00 64.86 65.05 2dkx h ILE 85 Cb 1.20 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 2dkx h ILE 85 CO -0.57 0.15 -0.04 -0.50 -0.68 0.00 0.00 178.15 176.51 2dkx h TRP 86 N 0.82 -0.10 -0.96 1.37 4.06 -0.18 -2.70 115.95 118.25 2dkx h TRP 86 Ca 0.34 -0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.53 2dkx h TRP 86 Cb 0.28 0.03 -0.13 0.00 -1.00 0.00 0.00 29.16 28.34 2dkx h TRP 86 CO -0.00 -0.06 0.51 1.57 -3.56 0.00 0.00 178.44 176.89 2dkx h LYS 87 N -0.37 0.46 -0.35 0.49 2.10 -1.25 0.59 116.57 118.24 2dkx h LYS 87 Ca -0.01 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2dkx h LYS 87 Cb 0.08 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 2dkx h LYS 87 CO 0.02 0.30 0.19 1.03 -2.00 0.00 0.00 179.45 179.00 2dkx h SER 88 N 0.47 0.43 0.95 7.07 0.87 -0.69 0.24 113.55 122.90 2dkx h SER 88 Ca 0.62 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 61.01 2dkx h SER 88 Cb 1.21 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2dkx h SER 88 CO -0.52 0.39 -0.42 0.00 -0.53 0.00 0.00 176.83 175.75 2dkx h ALA 89 N 1.06 0.92 0.00 6.23 0.00 -0.44 -2.93 119.26 124.09 2dkx h ALA 89 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dkx h ALA 89 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2dkx h ALA 89 CO -0.02 0.53 -0.29 0.00 0.00 0.00 0.00 179.25 179.47 2dkx h ALA 90 N 1.58 0.83 -0.20 0.00 0.00 0.50 -3.32 119.26 118.65 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 1.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2dkx h ALA 90 CO 0.05 0.00 0.16 0.45 0.00 0.00 0.00 179.25 179.91 2dkx n SER 91 N -2.47 4.80 0.00 0.00 2.88 0.80 -4.98 113.62 114.65 2dkx n SER 91 Ca 0.04 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 2dkx n SER 91 Cb 0.47 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 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 0.70 0.57 0.00 0.46 0.00 -1.25 -2.73 105.19 102.95 2dkx n GLY 92 Ca 0.12 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.44 -3.50 1.61 -0.04 -1.26 -4.75 135.00 127.50 2dkx n PRO 93 Ca 0.00 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.30 2dkx n PRO 93 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 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 -1.05 -1.85 -4.60 3.54 3.41 -1.10 -4.96 113.62 107.00 2dkx n SER 94 Ca 0.11 -0.67 -0.29 0.00 -0.26 0.00 0.00 58.87 57.75 2dkx n SER 94 Cb 0.06 -4.85 0.20 0.00 -0.26 0.00 0.00 64.21 59.36 2dkx n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dkx s SER 95 N -4.35 2.14 0.00 4.04 1.04 -1.26 -5.20 113.70 110.11 2dkx s SER 95 Ca 0.01 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2dkx s SER 95 Cb -0.00 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2dkx s SER 95 CO 0.75 -3.51 0.00 0.61 0.98 0.00 0.00 173.24 172.08