#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 0.00 0.00 1.61 0.87 -2.08 -3.44 113.55 110.51 2dkx h SER 2 Ca 0.00 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.41 2dkx h SER 2 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dkx h SER 2 CO 0.00 0.74 -0.78 -0.24 -0.53 0.00 0.00 176.83 176.02 2dkx n SER 3 N -4.66 1.83 -5.02 6.23 2.88 -1.26 -5.01 113.62 108.62 2dkx n SER 3 Ca -0.07 0.56 -0.20 0.00 -1.33 0.00 0.00 58.87 57.82 2dkx n SER 3 Cb 0.22 -0.88 0.06 0.00 -0.75 0.00 0.00 64.21 62.86 2dkx n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dkx s GLY 4 N -4.47 1.78 0.27 0.46 0.00 -1.26 -5.14 107.32 98.96 2dkx s GLY 4 Ca -0.20 -2.08 -0.05 0.00 0.00 0.00 0.00 44.72 42.39 2dkx s GLY 4 CO 0.33 -1.73 0.45 1.44 0.00 0.00 0.00 173.10 173.58 2dkx n SER 5 N -2.22 -1.27 -3.32 1.64 7.64 -1.26 -4.22 113.62 110.61 2dkx n SER 5 Ca 0.14 -2.32 -0.26 0.00 1.01 0.00 0.00 58.87 57.44 2dkx n SER 5 Cb 0.62 2.24 0.25 0.00 -1.01 0.00 0.00 64.21 66.31 2dkx n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dkx n SER 6 N -1.62 -3.84 0.00 6.43 7.64 -1.26 -4.68 113.62 116.30 2dkx n SER 6 Ca -0.02 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.13 2dkx n SER 6 Cb 0.44 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkx n GLY 7 N 2.09 1.57 1.06 0.23 0.00 -1.26 -4.72 105.19 104.17 2dkx n GLY 7 Ca 0.11 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 3.21 -0.36 0.99 -0.00 -1.26 -4.46 117.00 115.12 2dkx n LEU 8 Ca 0.00 -1.32 0.26 0.00 -0.00 0.00 0.00 56.01 54.96 2dkx n LEU 8 Cb 0.00 -0.18 0.52 0.00 -0.00 0.00 0.00 43.42 43.76 2dkx n LEU 8 CO 0.00 0.66 1.19 0.11 -0.00 0.00 0.00 177.39 179.34 2dkx h LYS 9 N 4.33 0.30 0.00 1.47 1.79 -1.84 0.75 116.57 123.38 2dkx h LYS 9 Ca 0.00 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 2dkx h LYS 9 Cb 0.95 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.50 2dkx h LYS 9 CO 0.00 0.20 -1.13 -0.44 -1.08 0.00 0.00 179.45 177.00 2dkx h ASP 10 N 0.31 0.00 0.01 0.86 3.32 -1.99 -3.34 116.42 115.60 2dkx h ASP 10 Ca 0.70 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.75 2dkx h ASP 10 Cb 1.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.35 2dkx h ASP 10 CO -0.44 0.76 -0.01 0.40 -1.72 0.00 0.00 179.24 178.23 2dkx h ILE 11 N 0.00 1.13 -0.94 0.35 2.04 0.18 -2.90 117.51 117.37 2dkx h ILE 11 Ca -0.11 -0.42 0.14 0.00 1.00 0.00 0.00 64.86 65.47 2dkx h ILE 11 Cb 1.67 1.41 -0.09 0.00 -0.74 0.00 0.00 36.82 39.07 2dkx h ILE 11 CO 0.08 0.11 0.55 1.05 0.00 0.00 0.00 178.15 179.94 2dkx h GLU 12 N -0.19 0.79 0.00 2.37 4.11 -1.27 0.29 114.58 120.67 2dkx h GLU 12 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2dkx h GLU 12 Cb 0.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2dkx h GLU 12 CO 0.00 0.52 -0.04 1.15 0.07 0.00 0.00 179.01 180.72 2dkx h THR 13 N 0.81 0.32 0.00 -1.06 2.02 -1.63 -0.48 112.91 112.90 2dkx h THR 13 Ca 0.49 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2dkx h THR 13 Cb 0.60 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2dkx h THR 13 CO -0.31 0.04 -0.76 0.00 0.37 0.00 0.00 175.52 174.85 2dkx n ALA 14 N -2.21 3.34 0.91 6.16 0.00 0.93 -3.83 120.51 125.82 2dkx n ALA 14 Ca -0.02 -0.35 0.11 0.00 0.00 0.00 0.00 53.44 53.18 2dkx n ALA 14 Cb 0.16 -1.07 0.02 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 -0.11 0.00 0.00 1.57 -1.48 0.75 116.57 117.30 2dkx h LYS 16 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dkx h LYS 16 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2dkx h LYS 16 CO 0.00 0.43 0.00 1.47 -0.57 0.00 0.00 179.45 180.78 2dkx n LEU 17 N -4.84 0.00 -0.02 2.94 -0.00 -1.26 -2.86 117.00 110.96 2dkx n LEU 17 Ca -0.08 0.15 0.04 0.00 -0.00 0.00 0.00 56.01 56.11 2dkx n LEU 17 Cb 0.29 -0.15 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 2dkx n LEU 17 CO 0.28 -0.02 -0.73 0.18 -0.00 0.00 0.00 177.39 177.10 2dkx n LEU 18 N -1.15 0.00 -2.87 1.47 4.77 -1.21 -5.02 117.00 113.00 2dkx n LEU 18 Ca 0.16 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 2dkx n LEU 18 Cb 0.15 0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.38 2dkx n LEU 18 CO 0.18 0.08 0.19 -3.20 -1.33 0.00 0.00 177.39 173.31 2dkx n ASN 19 N -2.11 -5.37 -4.02 -1.43 5.15 0.22 -5.02 115.26 102.68 2dkx n ASN 19 Ca -0.07 -0.41 -0.25 0.00 -0.60 0.00 0.00 54.58 53.24 2dkx n ASN 19 Cb 0.50 -3.97 -0.06 0.00 -0.53 0.00 0.00 39.78 35.73 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 -4.42 0.00 -3.65 -1.44 -5.35 -0.98 -5.06 119.36 98.46 2dkx n ILE 20 Ca 0.01 -1.94 -0.38 0.00 -0.27 0.00 0.00 62.75 60.17 2dkx n ILE 20 Cb 0.55 0.45 -0.06 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 -2.55 5.22 0.61 7.28 -1.32 -1.26 -4.80 115.64 118.82 2dkx s THR 21 Ca 0.03 0.59 0.29 0.00 -1.21 0.00 0.00 61.69 61.39 2dkx s THR 21 Cb 0.00 -3.59 0.36 0.00 -1.51 0.00 0.00 72.50 67.76 2dkx s THR 21 CO 0.02 0.59 1.90 0.00 -2.21 0.00 0.00 174.62 174.92 2dkx h ALA 22 N 4.87 1.99 -2.31 11.08 0.00 -1.94 -3.39 119.26 129.57 2dkx h ALA 22 Ca -0.53 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.77 2dkx h ALA 22 Cb 1.22 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2dkx h ALA 22 CO 0.61 -0.63 0.43 0.34 0.00 0.00 0.00 179.25 179.99 2dkx s ASP 23 N -5.05 6.78 0.28 0.00 -1.08 -1.26 -4.81 116.67 111.54 2dkx s ASP 23 Ca -0.04 0.96 0.06 0.00 -0.52 0.00 0.00 52.55 53.01 2dkx s ASP 23 Cb 0.14 -2.42 0.41 0.00 -1.46 0.00 0.00 42.92 39.59 2dkx s ASP 23 CO 0.49 -0.50 1.67 1.55 0.52 0.00 0.00 175.17 178.89 2dkx h PRO 24 N 7.74 0.23 0.00 4.34 0.13 -1.86 -2.61 132.00 139.97 2dkx h PRO 24 Ca -0.24 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2dkx h PRO 24 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dkx h PRO 24 CO 0.86 0.65 0.00 -1.33 -0.23 0.00 0.00 178.00 177.95 2dkx n MET 25 N -3.99 0.27 0.00 0.86 2.81 -1.25 -2.12 117.12 113.70 2dkx n MET 25 Ca -0.02 0.10 0.07 0.00 -1.81 0.00 0.00 57.70 56.05 2dkx n MET 25 Cb 0.51 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.85 -4.46 7.83 8.00 -0.99 -2.72 116.55 123.77 2dkx n ASP 26 Ca 0.09 -0.92 -0.46 0.00 0.71 0.00 0.00 54.79 54.21 2dkx n ASP 26 Cb 0.16 0.93 -0.09 0.00 -0.02 0.00 0.00 41.12 42.10 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 -1.20 1.22 -3.49 1.24 8.01 -0.90 -4.84 117.44 117.48 2dkx n TRP 27 Ca 0.03 0.32 -0.16 0.00 -1.31 0.00 0.00 57.50 56.39 2dkx n TRP 27 Cb 0.25 -2.49 -0.05 0.00 -2.01 0.00 0.00 31.31 27.02 2dkx n TRP 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2dkx s SER 28 N 8.74 -0.62 0.00 -0.99 0.15 -1.26 -1.30 113.70 118.43 2dkx s SER 28 Ca 1.16 0.44 -0.24 0.00 0.70 0.00 0.00 55.95 58.02 2dkx s SER 28 Cb -0.89 0.56 -0.18 0.00 -1.71 0.00 0.00 66.02 63.80 2dkx s SER 28 CO 0.46 -0.74 1.30 1.55 1.20 0.00 0.00 173.24 177.01 2dkx h PRO 29 N 2.65 0.15 -0.89 5.44 0.13 -2.03 -3.39 132.00 134.07 2dkx h PRO 29 Ca -0.30 -0.08 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 2dkx h PRO 29 Cb 1.20 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.91 2dkx h PRO 29 CO 0.39 0.59 -0.83 -1.13 -0.23 0.00 0.00 178.00 176.80 2dkx n SER 30 N -4.73 4.64 0.26 1.44 3.41 -1.26 -4.78 113.62 112.59 2dkx n SER 30 Ca -0.07 -3.63 0.11 0.00 -0.26 0.00 0.00 58.87 55.01 2dkx n SER 30 Cb 0.30 -0.37 0.68 0.00 -0.26 0.00 0.00 64.21 64.55 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 2.30 0.00 -0.67 4.04 -0.26 -1.76 -2.79 115.58 116.43 2dkx h ASN 31 Ca 0.32 0.00 0.13 0.00 -0.56 0.00 0.00 56.30 56.19 2dkx h ASN 31 Cb 1.40 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.56 2dkx h ASN 31 CO 0.74 0.12 0.19 0.58 -1.06 0.00 0.00 177.43 178.00 2dkx h VAL 32 N 0.00 0.62 -0.99 2.81 2.07 -1.87 0.47 116.25 119.37 2dkx h VAL 32 Ca -0.00 -0.11 0.21 0.00 0.82 0.00 0.00 66.70 67.62 2dkx h VAL 32 Cb 0.27 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.21 2dkx h VAL 32 CO 0.02 0.06 0.62 1.56 0.02 0.00 0.00 177.57 179.84 2dkx h GLN 33 N 0.32 0.61 -0.17 1.57 1.08 -1.85 0.13 115.11 116.80 2dkx h GLN 33 Ca 0.36 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.50 2dkx h GLN 33 Cb 0.56 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2dkx h GLN 33 CO -0.42 0.40 -0.00 0.87 -0.95 0.00 0.00 178.83 178.73 2dkx h LYS 34 N 0.63 0.30 0.00 1.46 1.57 -1.07 -1.65 116.57 117.80 2dkx h LYS 34 Ca 0.56 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2dkx h LYS 34 Cb 1.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2dkx h LYS 34 CO -0.33 0.52 -0.02 2.35 -0.57 0.00 0.00 179.45 181.40 2dkx h TRP 35 N 0.05 0.00 0.00 -1.35 7.01 -0.78 -2.73 115.95 118.15 2dkx h TRP 35 Ca 0.05 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.05 2dkx h TRP 35 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2dkx h TRP 35 CO 0.04 0.02 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.63 2dkx h LEU 36 N 0.00 0.00 -1.22 0.65 3.38 -0.69 -3.25 115.31 114.19 2dkx h LEU 36 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2dkx h LEU 36 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2dkx h LEU 36 CO 0.00 0.08 0.79 0.17 0.09 0.00 0.00 178.44 179.57 2dkx h LEU 37 N -0.16 0.00 0.00 1.67 8.10 -1.35 0.50 115.31 124.07 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 -3.08 0.00 0.32 0.17 -0.00 -1.03 -2.91 117.44 110.91 2dkx n TRP 38 Ca 0.08 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.74 2dkx n TRP 38 Cb 0.93 -0.34 0.68 0.00 -0.00 0.00 0.00 31.31 32.58 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 0.00 0.00 5.87 2.02 -1.42 -2.44 112.91 116.94 2dkx h THR 39 Ca 0.00 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.81 2dkx h THR 39 Cb 0.00 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2dkx h THR 39 CO 0.00 0.00 -0.31 -0.08 0.37 0.00 0.00 175.52 175.50 2dkx h GLU 40 N 0.00 0.00 0.00 6.66 4.81 -0.10 -1.41 114.58 124.54 2dkx h GLU 40 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dkx h GLU 40 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2dkx h GLU 40 CO 0.00 0.31 -1.02 1.58 -0.73 0.00 0.00 179.01 179.15 2dkx n HIS 41 N -3.78 0.64 0.23 0.92 -0.00 -0.92 -0.18 115.22 112.12 2dkx n HIS 41 Ca -0.01 0.19 0.12 0.00 0.46 0.00 0.00 57.72 58.47 2dkx n HIS 41 Cb 0.40 -0.74 0.05 0.00 -0.12 0.00 0.00 29.99 29.58 2dkx n HIS 41 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2dkx h GLN 42 N 0.00 0.00 -0.03 1.57 4.20 -1.41 -3.34 115.11 116.10 2dkx h GLN 42 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dkx h GLN 42 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2dkx h GLN 42 CO 0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 2dkx n TYR 43 N -2.55 0.04 -3.59 2.96 4.02 -0.57 -5.01 117.16 112.46 2dkx n TYR 43 Ca 0.01 -0.17 -0.21 0.00 -0.01 0.00 0.00 57.90 57.52 2dkx n TYR 43 Cb 0.52 -0.01 0.06 0.00 -0.02 0.00 0.00 39.34 39.89 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 0.01 -6.24 -3.25 -0.72 3.00 -0.92 -4.99 116.66 103.55 2dkx n ARG 44 Ca 0.02 0.75 -0.28 0.00 -0.01 0.00 0.00 57.85 58.33 2dkx n ARG 44 Cb 0.14 -5.63 -0.03 0.00 0.00 0.00 0.00 32.46 26.95 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 -6.72 4.01 1.03 0.55 1.43 0.74 -5.03 118.68 114.69 2dkx s LEU 45 Ca 0.17 0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 53.88 2dkx s LEU 45 Cb -0.08 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.77 2dkx s LEU 45 CO 0.77 -0.25 1.09 -2.16 0.23 0.00 0.00 176.35 176.03 2dkx s PRO 46 N -3.74 0.21 -0.60 1.29 0.04 -1.26 -4.78 135.00 126.16 2dkx s PRO 46 Ca 0.44 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.66 2dkx s PRO 46 Cb -0.10 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2dkx s PRO 46 CO 0.32 -2.86 1.85 -1.25 0.04 0.00 0.00 177.00 175.10 2dkx s PRO 47 N -4.99 2.67 0.04 0.56 0.04 -1.26 -4.79 135.00 127.27 2dkx s PRO 47 Ca 0.66 0.65 0.21 0.00 0.04 0.00 0.00 61.00 62.56 2dkx s PRO 47 Cb -0.18 -4.38 -0.19 0.00 0.04 0.00 0.00 34.50 29.80 2dkx s PRO 47 CO 0.58 -2.68 0.68 -1.33 0.04 0.00 0.00 177.00 174.29 2dkx n MET 48 N 9.14 0.64 -0.38 4.56 2.81 -1.26 -4.33 117.12 128.30 2dkx n MET 48 Ca 0.20 -0.00 0.35 0.00 -1.81 0.00 0.00 57.70 56.44 2dkx n MET 48 Cb 0.52 -1.67 0.62 0.00 -0.71 0.00 0.00 33.22 31.98 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 3.95 1.90 1.49 3.03 0.00 -1.93 1.64 103.07 113.14 2dkx h GLY 49 Ca -0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2dkx h GLY 49 CO 0.01 -0.65 -0.51 1.70 0.00 0.00 0.00 176.54 177.08 2dkx h LYS 50 N 0.03 0.54 0.00 4.80 3.11 -1.98 1.45 116.57 124.52 2dkx h LYS 50 Ca 0.85 -0.32 -0.13 0.00 -2.81 0.00 0.00 60.65 58.24 2dkx h LYS 50 Cb 2.44 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 33.68 2dkx h LYS 50 CO -0.64 0.93 -0.63 0.00 -2.81 0.00 0.00 179.45 176.30 2dkx h ALA 51 N 1.01 0.67 -0.08 5.00 0.00 0.19 -3.22 119.26 122.83 2dkx h ALA 51 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2dkx h ALA 51 Cb 1.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2dkx h ALA 51 CO 0.10 0.78 0.00 1.19 0.00 0.00 0.00 179.25 181.32 2dkx n PHE 52 N -3.36 0.09 -0.34 0.00 3.01 0.11 -4.56 117.46 112.40 2dkx n PHE 52 Ca 0.01 -0.07 0.26 0.00 1.01 0.00 0.00 57.45 58.65 2dkx n PHE 52 Cb 0.74 -0.00 0.54 0.00 -0.01 0.00 0.00 39.48 40.75 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 2.96 0.31 0.00 -1.08 3.07 0.20 0.66 115.11 121.23 2dkx h GLN 53 Ca 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 58.65 58.64 2dkx h GLN 53 Cb 0.66 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2dkx h GLN 53 CO 0.00 0.21 -1.01 1.05 0.09 0.00 0.00 178.83 179.16 2dkx h GLU 54 N 0.32 0.00 -7.16 0.06 4.11 -1.82 -3.47 114.58 106.63 2dkx h GLU 54 Ca 0.64 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 59.57 2dkx h GLU 54 Cb 1.73 0.00 0.07 0.00 0.50 0.00 0.00 28.75 31.05 2dkx h GLU 54 CO -0.32 0.18 0.39 -0.51 0.07 0.00 0.00 179.01 178.82 2dkx s LEU 55 N -5.75 3.57 0.42 3.06 1.43 0.23 -5.07 118.68 116.56 2dkx s LEU 55 Ca -0.00 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.10 2dkx s LEU 55 Cb 0.09 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.73 2dkx s LEU 55 CO 0.78 -1.27 0.12 0.00 0.23 0.00 0.00 176.35 176.21 2dkx s ALA 56 N -2.20 3.03 0.15 4.21 0.00 -1.26 -4.86 121.76 120.82 2dkx s ALA 56 Ca 0.67 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.20 2dkx s ALA 56 Cb -0.19 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.61 2dkx s ALA 56 CO 0.34 -0.31 1.59 0.78 0.00 0.00 0.00 175.76 178.17 2dkx h GLY 57 N 1.75 -0.43 0.58 0.00 0.00 -1.31 -1.45 103.07 102.22 2dkx h GLY 57 Ca -0.36 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2dkx h GLY 57 CO 0.59 -0.21 -0.49 0.07 0.00 0.00 0.00 176.54 176.50 2dkx h LYS 58 N -0.34 -0.97 -0.40 4.80 2.10 -1.62 -2.78 116.57 117.35 2dkx h LYS 58 Ca 0.13 0.07 0.04 0.00 -2.00 0.00 0.00 60.65 58.89 2dkx h LYS 58 Cb 0.56 0.22 -0.05 0.00 -0.90 0.00 0.00 32.23 32.06 2dkx h LYS 58 CO -0.48 -0.65 -0.27 0.93 -2.00 0.00 0.00 179.45 176.98 2dkx h GLU 59 N -1.01 -0.05 -0.87 0.07 4.39 -1.84 0.83 114.58 116.11 2dkx h GLU 59 Ca -0.06 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.72 2dkx h GLU 59 Cb 0.87 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.42 2dkx h GLU 59 CO -0.03 -0.03 -0.51 1.28 -1.16 0.00 0.00 179.01 178.55 2dkx n LEU 60 N -4.04 -0.92 0.26 1.33 4.32 -0.57 0.20 117.00 117.58 2dkx n LEU 60 Ca 0.00 1.60 0.12 0.00 -0.02 0.00 0.00 56.01 57.71 2dkx n LEU 60 Cb 0.13 -0.23 0.73 0.00 -1.62 0.00 0.00 43.42 42.43 2dkx n LEU 60 CO -0.06 -1.29 0.99 0.00 -1.22 0.00 0.00 177.39 175.82 2dkx n ALA 62 N -2.33 2.76 -1.79 0.00 0.00 0.53 -4.87 120.51 114.81 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 0.21 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.69 -0.38 -4.29 0.00 2.00 0.34 -5.01 117.12 108.10 2dkx n MET 63 Ca 0.06 -1.19 -0.20 0.00 0.00 0.00 0.00 57.70 56.37 2dkx n MET 63 Cb 0.36 -0.60 -0.13 0.00 0.00 0.00 0.00 33.22 32.86 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 -3.41 1.77 0.14 7.83 0.01 -1.26 -5.01 113.70 113.77 2dkx s SER 64 Ca 0.38 -0.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.93 2dkx s SER 64 Cb -0.01 -0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.19 2dkx s SER 64 CO 0.26 -0.00 1.11 1.21 0.41 0.00 0.00 173.24 176.23 2dkx n GLU 65 N 1.60 -0.24 -0.32 12.44 2.13 -1.26 0.23 120.64 135.22 2dkx n GLU 65 Ca -0.19 1.10 0.09 0.00 0.66 0.00 0.00 57.16 58.81 2dkx n GLU 65 Cb 0.54 -1.62 0.25 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 0.70 -0.33 5.31 4.81 -1.97 -1.11 114.58 121.98 2dkx h GLU 66 Ca 0.19 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2dkx h GLU 66 Cb 0.37 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2dkx h GLU 66 CO -0.70 0.46 0.15 1.96 -0.73 0.00 0.00 179.01 180.15 2dkx h GLN 67 N 0.72 0.31 0.00 1.92 1.08 0.25 -0.28 115.11 119.10 2dkx h GLN 67 Ca 0.50 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.68 2dkx h GLN 67 Cb 0.69 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2dkx h GLN 67 CO -0.35 0.20 -0.01 0.74 -0.95 0.00 0.00 178.83 178.46 2dkx h PHE 68 N 0.31 0.00 0.00 2.96 -1.00 -0.34 -0.22 116.94 118.65 2dkx h PHE 68 Ca 0.14 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 2dkx h PHE 68 Cb 0.07 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 2dkx h PHE 68 CO -0.11 0.01 -0.64 0.00 -1.61 0.00 0.00 178.31 175.96 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.70 -2.24 114.38 116.03 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 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2dkx h ARG 69 CO 0.00 0.05 -0.34 1.96 -1.07 0.00 0.00 179.97 180.57 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.62 -3.19 115.11 113.66 2dkx h GLN 70 Ca -0.01 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.96 2dkx h GLN 70 Cb 1.06 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 2dkx h GLN 70 CO 0.01 0.34 -2.03 2.89 -0.95 0.00 0.00 178.83 179.09 2dkx n ARG 71 N -3.79 1.23 -3.73 1.46 1.85 -1.18 -4.84 116.66 107.66 2dkx n ARG 71 Ca -0.01 -0.04 -0.30 0.00 -1.00 0.00 0.00 57.85 56.50 2dkx n ARG 71 Cb 0.42 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.28 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 3.89 -0.01 2.89 0.15 -0.84 -4.98 113.70 110.04 2dkx s SER 72 Ca -0.08 -2.03 -0.25 0.00 0.70 0.00 0.00 55.95 54.29 2dkx s SER 72 Cb 0.06 -0.94 -0.19 0.00 -1.71 0.00 0.00 66.02 63.24 2dkx s SER 72 CO 0.66 -0.36 1.28 1.55 1.20 0.00 0.00 173.24 177.58 2dkx h PRO 73 N 7.54 0.08 0.00 5.44 0.13 -1.82 0.28 132.00 143.65 2dkx h PRO 73 Ca -0.08 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.47 0.54 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.65 2dkx h LEU 74 N -0.38 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.52 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 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dkx h LEU 74 CO 0.01 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2dkx n GLY 75 N -0.73 0.46 5.96 0.83 0.00 -1.17 -4.92 105.19 105.62 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 4.55 0.39 0.34 -0.02 0.00 0.97 -2.52 105.19 108.89 2dkx n GLY 76 Ca 0.00 0.45 0.06 0.00 0.00 0.00 0.00 46.02 46.53 2dkx n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkx n ASP 77 N 2.87 -0.33 -0.28 1.61 2.03 -1.26 0.54 116.55 121.73 2dkx n ASP 77 Ca 0.00 1.63 0.06 0.00 0.52 0.00 0.00 54.79 57.00 2dkx n ASP 77 Cb 0.00 -0.50 0.16 0.00 -0.72 0.00 0.00 41.12 40.06 2dkx n ASP 77 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2dkx h VAL 78 N 0.00 0.23 0.00 5.18 3.04 -1.86 0.54 116.25 123.37 2dkx h VAL 78 Ca 0.46 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 66.13 2dkx h VAL 78 Cb 0.71 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 2dkx h VAL 78 CO -0.97 0.01 0.00 0.18 -1.01 0.00 0.00 177.57 175.77 2dkx n LEU 79 N -5.44 0.02 -0.12 3.16 4.77 0.19 -0.12 117.00 119.46 2dkx n LEU 79 Ca 0.14 0.91 0.27 0.00 -0.03 0.00 0.00 56.01 57.30 2dkx n LEU 79 Cb 0.50 -0.46 0.63 0.00 -2.33 0.00 0.00 43.42 41.76 2dkx n LEU 79 CO -0.00 -0.46 1.25 -0.74 -1.33 0.00 0.00 177.39 176.10 2dkx h HIS 80 N 0.00 0.00 0.02 -1.77 2.76 -1.23 0.39 115.15 115.32 2dkx h HIS 80 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2dkx h HIS 80 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 2dkx h HIS 80 CO 0.19 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 176.81 2dkx h ALA 81 N 1.08 -0.10 0.00 5.26 0.00 0.30 -2.55 119.26 123.25 2dkx h ALA 81 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2dkx h ALA 81 Cb 2.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2dkx h ALA 81 CO -0.00 -0.10 0.04 1.58 0.00 0.00 0.00 179.25 180.77 2dkx n HIS 82 N -2.74 0.56 0.04 0.00 -0.00 0.83 -1.36 115.22 112.55 2dkx n HIS 82 Ca -0.00 0.29 -0.22 0.00 -0.00 0.00 0.00 57.72 57.79 2dkx n HIS 82 Cb 0.01 -0.94 -0.14 0.00 -0.00 0.00 0.00 29.99 28.92 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 0.50 -0.93 0.27 5.85 -0.35 -3.36 115.31 117.29 2dkx h LEU 83 Ca 0.00 -0.90 0.28 0.00 0.84 0.00 0.00 57.88 58.10 2dkx h LEU 83 Cb 0.09 -0.16 -0.16 0.00 0.37 0.00 0.00 40.66 40.80 2dkx h LEU 83 CO 0.00 1.68 0.29 -0.78 -0.34 0.00 0.00 178.44 179.29 2dkx h ASP 84 N -0.12 0.03 -1.00 1.25 3.58 -0.77 0.73 116.42 120.12 2dkx h ASP 84 Ca -0.31 0.22 0.08 0.00 0.42 0.00 0.00 57.03 57.44 2dkx h ASP 84 Cb 1.91 0.29 -0.07 0.00 1.72 0.00 0.00 39.33 43.17 2dkx h ASP 84 CO 0.12 -0.22 0.64 0.40 -2.88 0.00 0.00 179.24 177.30 2dkx h ILE 85 N 0.16 1.03 0.17 2.25 5.03 -1.70 0.20 117.51 124.66 2dkx h ILE 85 Ca 0.63 -0.38 -0.01 0.00 -0.12 0.00 0.00 64.86 64.98 2dkx h ILE 85 Cb 1.36 -0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.98 2dkx h ILE 85 CO -0.71 0.20 -0.08 -0.50 -0.68 0.00 0.00 178.15 176.38 2dkx h TRP 86 N 1.11 -0.21 -0.88 1.37 4.06 0.25 -2.78 115.95 118.87 2dkx h TRP 86 Ca 0.45 -0.01 0.22 0.00 2.06 0.00 0.00 58.89 61.62 2dkx h TRP 86 Cb 0.28 0.07 -0.13 0.00 -1.00 0.00 0.00 29.16 28.38 2dkx h TRP 86 CO -0.00 -0.13 0.34 1.57 -3.56 0.00 0.00 178.44 176.66 2dkx h LYS 87 N -0.48 0.33 -0.58 0.49 2.10 -1.25 0.32 116.57 117.49 2dkx h LYS 87 Ca -0.02 -0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 2dkx h LYS 87 Cb 0.18 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.39 2dkx h LYS 87 CO 0.04 0.22 0.32 1.03 -2.00 0.00 0.00 179.45 179.05 2dkx h SER 88 N 0.34 0.48 1.09 7.07 0.87 -0.68 0.54 113.55 123.26 2dkx h SER 88 Ca 0.55 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 61.06 2dkx h SER 88 Cb 1.07 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2dkx h SER 88 CO -0.56 0.32 -0.37 0.00 -0.53 0.00 0.00 176.83 175.69 2dkx h ALA 89 N 1.30 0.89 0.00 6.23 0.00 -0.38 -3.00 119.26 124.30 2dkx h ALA 89 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dkx h ALA 89 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dkx h ALA 89 CO -0.15 0.46 -0.47 0.00 0.00 0.00 0.00 179.25 179.09 2dkx h ALA 90 N 1.63 0.73 -0.32 0.00 0.00 0.57 -3.32 119.26 118.54 2dkx h ALA 90 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2dkx h ALA 90 Cb 1.02 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 2dkx h ALA 90 CO 0.05 0.00 0.24 0.45 0.00 0.00 0.00 179.25 179.99 2dkx n SER 91 N -2.56 4.33 0.00 0.00 2.88 0.18 -4.97 113.62 113.48 2dkx n SER 91 Ca 0.03 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2dkx n SER 91 Cb 0.49 -0.79 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 0.25 -0.97 3.64 0.46 0.00 -1.25 -4.85 105.19 102.47 2dkx n GLY 92 Ca 0.20 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.73 3.90 -0.12 1.61 0.04 -1.26 -4.65 135.00 132.79 2dkx s PRO 93 Ca 0.00 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 2dkx s PRO 93 Cb 0.00 -4.00 0.06 0.00 0.04 0.00 0.00 34.50 30.60 2dkx s PRO 93 CO 0.00 -1.17 0.63 -1.54 0.04 0.00 0.00 177.00 174.96 2dkx s SER 94 N 3.88 -0.62 -0.05 6.66 1.04 -1.26 -5.06 113.70 118.29 2dkx s SER 94 Ca 0.70 0.88 -0.23 0.00 0.48 0.00 0.00 55.95 57.78 2dkx s SER 94 Cb -0.26 0.82 -0.30 0.00 0.10 0.00 0.00 66.02 66.38 2dkx s SER 94 CO 0.28 -0.44 0.90 0.77 0.98 0.00 0.00 173.24 175.73 2dkx h SER 95 N 3.91 0.42 0.00 7.02 4.64 -1.96 -3.48 113.55 124.10 2dkx h SER 95 Ca -0.28 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.10 2dkx h SER 95 Cb 1.15 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2dkx h SER 95 CO 0.28 1.33 0.00 0.61 -0.87 0.00 0.00 176.83 178.17