#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 -4.69 0.02 1.61 7.64 -1.26 -4.88 113.62 112.06 2dkx n SER 2 Ca 0.00 -0.70 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 2dkx n SER 2 Cb 0.00 -4.33 -0.00 0.00 -1.01 0.00 0.00 64.21 58.86 2dkx n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkx n SER 3 N -2.94 0.69 0.00 6.43 2.88 -1.26 -5.04 113.62 114.39 2dkx n SER 3 Ca -0.03 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2dkx n SER 3 Cb 0.56 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2dkx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkx n GLY 4 N 3.15 2.44 2.92 0.46 0.00 -1.26 -4.94 105.19 107.96 2dkx n GLY 4 Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.54 -0.74 1.61 0.15 -1.26 -5.10 113.70 108.90 2dkx s SER 5 Ca 0.00 -0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 2dkx s SER 5 Cb 0.00 -0.13 0.14 0.00 -1.71 0.00 0.00 66.02 64.33 2dkx s SER 5 CO 0.00 0.02 0.82 -0.44 1.20 0.00 0.00 173.24 174.84 2dkx s SER 6 N 0.20 6.45 0.00 5.45 0.01 -1.26 -4.78 113.70 119.76 2dkx s SER 6 Ca -0.02 -1.93 0.00 0.00 1.31 0.00 0.00 55.95 55.31 2dkx s SER 6 Cb -0.05 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2dkx s SER 6 CO -0.00 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2dkx n GLY 7 N 4.98 0.02 0.08 3.44 0.00 -1.26 -4.88 105.19 107.57 2dkx n GLY 7 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.73 0.43 -0.04 0.99 -0.00 -1.26 -3.89 117.00 111.50 2dkx n LEU 8 Ca 0.00 0.08 0.24 0.00 -0.00 0.00 0.00 56.01 56.33 2dkx n LEU 8 Cb 0.00 -0.26 0.72 0.00 -0.00 0.00 0.00 43.42 43.88 2dkx n LEU 8 CO 0.00 0.09 1.21 0.11 -0.00 0.00 0.00 177.39 178.80 2dkx h LYS 9 N 0.38 0.00 0.00 1.47 1.79 -1.89 0.39 116.57 118.70 2dkx h LYS 9 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2dkx h LYS 9 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 2dkx h LYS 9 CO 0.00 0.00 -1.27 -0.25 -1.08 0.00 0.00 179.45 176.85 2dkx n ASP 10 N -4.07 0.85 0.04 0.86 8.00 -1.25 -4.20 116.55 116.78 2dkx n ASP 10 Ca 0.12 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 2dkx n ASP 10 Cb 0.76 0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 42.05 2dkx n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dkx h ILE 11 N 0.00 1.09 -0.91 0.53 2.04 -0.44 -2.93 117.51 116.90 2dkx h ILE 11 Ca -0.11 -0.44 0.18 0.00 1.00 0.00 0.00 64.86 65.49 2dkx h ILE 11 Cb 1.38 1.39 -0.10 0.00 -0.74 0.00 0.00 36.82 38.74 2dkx h ILE 11 CO 0.03 0.11 0.48 1.05 0.00 0.00 0.00 178.15 179.82 2dkx h GLU 12 N -0.26 0.60 0.00 2.37 4.11 -1.63 0.60 114.58 120.38 2dkx h GLU 12 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2dkx h GLU 12 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dkx h GLU 12 CO 0.01 0.40 -0.00 1.15 0.07 0.00 0.00 179.01 180.63 2dkx h THR 13 N 0.62 0.02 0.00 -1.06 2.02 -1.69 -1.12 112.91 111.71 2dkx h THR 13 Ca 0.52 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2dkx h THR 13 Cb 0.82 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2dkx h THR 13 CO -0.40 0.00 -0.77 0.00 0.37 0.00 0.00 175.52 174.72 2dkx n ALA 14 N -2.09 3.41 0.92 6.16 0.00 0.20 -3.85 120.51 125.26 2dkx n ALA 14 Ca -0.01 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.17 2dkx n ALA 14 Cb 0.19 -1.05 -0.00 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 0.36 -0.00 0.00 1.57 -1.55 0.31 116.57 117.26 2dkx h LYS 16 Ca 0.00 -0.42 -0.20 0.00 -1.87 0.00 0.00 60.65 58.16 2dkx h LYS 16 Cb 0.54 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2dkx h LYS 16 CO 0.00 1.11 -0.88 1.37 -0.57 0.00 0.00 179.45 180.47 2dkx h LEU 17 N -0.20 0.37 0.00 2.94 -0.00 -1.74 -3.18 115.31 113.49 2dkx h LEU 17 Ca -0.08 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2dkx h LEU 17 Cb 1.33 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2dkx h LEU 17 CO 0.12 1.08 -0.64 -0.07 -0.00 0.00 0.00 178.44 178.92 2dkx h LEU 18 N 0.16 0.00 -1.63 0.17 3.38 -1.66 -3.48 115.31 112.25 2dkx h LEU 18 Ca -0.05 -0.08 -0.34 0.00 0.09 0.00 0.00 57.88 57.49 2dkx h LEU 18 Cb 1.51 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.42 2dkx h LEU 18 CO 0.14 0.04 -0.77 -3.20 0.09 0.00 0.00 178.44 174.74 2dkx n ASN 19 N -2.50 -2.13 -3.81 -0.43 2.85 0.10 -5.02 115.26 104.34 2dkx n ASN 19 Ca 0.02 -0.63 -0.24 0.00 -0.11 0.00 0.00 54.58 53.62 2dkx n ASN 19 Cb 0.50 -5.04 -0.06 0.00 1.24 0.00 0.00 39.78 36.42 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2dkx n ILE 20 N -4.17 0.00 -3.50 -1.44 -5.35 -0.71 -5.03 119.36 99.15 2dkx n ILE 20 Ca -0.28 -1.93 -0.38 0.00 -0.27 0.00 0.00 62.75 59.90 2dkx n ILE 20 Cb 0.67 0.53 -0.06 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.62 5.15 0.57 7.28 -1.32 -1.26 -4.79 115.64 118.65 2dkx s THR 21 Ca 0.08 0.75 0.31 0.00 -1.21 0.00 0.00 61.69 61.62 2dkx s THR 21 Cb 0.00 -3.69 0.44 0.00 -1.51 0.00 0.00 72.50 67.75 2dkx s THR 21 CO 0.06 0.50 1.83 0.00 -2.21 0.00 0.00 174.62 174.79 2dkx h ALA 22 N 5.50 2.60 -2.25 11.08 0.00 -1.95 -3.38 119.26 130.86 2dkx h ALA 22 Ca -0.48 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 2dkx h ALA 22 Cb 1.20 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 2dkx h ALA 22 CO 0.67 -1.05 0.53 0.34 0.00 0.00 0.00 179.25 179.74 2dkx s ASP 23 N -5.17 6.89 0.29 0.00 -1.08 -1.26 -4.83 116.67 111.50 2dkx s ASP 23 Ca -0.04 1.10 0.07 0.00 -0.52 0.00 0.00 52.55 53.16 2dkx s ASP 23 Cb 0.18 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 39.62 2dkx s ASP 23 CO 0.65 -0.54 1.68 1.55 0.52 0.00 0.00 175.17 179.03 2dkx h PRO 24 N 7.62 0.19 0.00 4.34 0.13 -1.87 -2.62 132.00 139.80 2dkx h PRO 24 Ca -0.22 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2dkx h PRO 24 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2dkx h PRO 24 CO 0.89 0.62 0.00 -1.33 -0.23 0.00 0.00 178.00 177.96 2dkx n MET 25 N -3.98 0.24 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 0.51 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.64 -4.53 7.83 9.92 -0.99 -3.24 116.55 125.90 2dkx n ASP 26 Ca 0.08 -1.32 -0.43 0.00 -0.53 0.00 0.00 54.79 52.59 2dkx n ASP 26 Cb 0.14 0.38 -0.05 0.00 -0.64 0.00 0.00 41.12 40.95 2dkx n ASP 26 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2dkx n TRP 27 N 0.02 1.60 -3.48 1.24 8.01 -0.77 -4.88 117.44 119.17 2dkx n TRP 27 Ca 0.06 0.10 -0.12 0.00 -1.31 0.00 0.00 57.50 56.23 2dkx n TRP 27 Cb 0.32 -2.62 -0.03 0.00 -2.01 0.00 0.00 31.31 26.96 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 9.27 -0.51 0.03 -0.99 1.04 -1.26 -1.49 113.70 119.79 2dkx s SER 28 Ca 1.05 0.19 -0.21 0.00 0.48 0.00 0.00 55.95 57.46 2dkx s SER 28 Cb -0.50 0.50 -0.15 0.00 0.10 0.00 0.00 66.02 65.96 2dkx s SER 28 CO 0.37 -0.73 1.33 1.55 0.98 0.00 0.00 173.24 176.74 2dkx h PRO 29 N 2.26 0.29 -0.10 4.02 0.13 -2.03 -3.37 132.00 133.20 2dkx h PRO 29 Ca -0.28 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 2dkx h PRO 29 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2dkx h PRO 29 CO 0.35 0.69 -0.52 -1.13 -0.23 0.00 0.00 178.00 177.16 2dkx n SER 30 N -4.61 2.10 -0.15 1.44 3.41 -1.26 -4.77 113.62 109.78 2dkx n SER 30 Ca -0.07 -3.89 0.20 0.00 -0.26 0.00 0.00 58.87 54.86 2dkx n SER 30 Cb 0.34 -0.51 0.60 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.13 0.21 -0.67 4.04 4.21 -1.77 -2.07 115.58 120.66 2dkx h ASN 31 Ca 0.05 0.02 0.12 0.00 1.21 0.00 0.00 56.30 57.70 2dkx h ASN 31 Cb 1.08 -0.02 -0.13 0.00 -1.12 0.00 0.00 38.32 38.13 2dkx h ASN 31 CO 0.10 0.10 -0.30 0.58 -1.29 0.00 0.00 177.43 176.61 2dkx h VAL 32 N 0.22 0.17 -0.97 2.81 2.07 -1.86 0.21 116.25 118.90 2dkx h VAL 32 Ca 0.38 0.00 0.32 0.00 0.82 0.00 0.00 66.70 68.22 2dkx h VAL 32 Cb 1.16 0.17 -0.17 0.00 -1.52 0.00 0.00 31.29 30.94 2dkx h VAL 32 CO -0.08 0.00 0.35 1.56 0.02 0.00 0.00 177.57 179.42 2dkx h GLN 33 N -0.10 0.10 0.53 1.57 1.08 -1.73 0.19 115.11 116.75 2dkx h GLN 33 Ca 0.28 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 2dkx h GLN 33 Cb 0.55 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2dkx h GLN 33 CO -0.74 0.07 -0.26 0.87 -0.95 0.00 0.00 178.83 177.82 2dkx h LYS 34 N 0.11 -0.69 0.00 1.46 1.57 -0.74 0.32 116.57 118.60 2dkx h LYS 34 Ca 0.70 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 2dkx h LYS 34 Cb 1.64 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.11 2dkx h LYS 34 CO -0.75 -0.46 0.00 1.87 -0.57 0.00 0.00 179.45 179.53 2dkx n TRP 35 N -5.40 0.44 -0.02 -1.35 -0.00 0.52 -1.75 117.44 109.88 2dkx n TRP 35 Ca -0.12 0.22 -0.01 0.00 -0.00 0.00 0.00 57.50 57.59 2dkx n TRP 35 Cb 0.30 -0.85 -0.00 0.00 -0.00 0.00 0.00 31.31 30.76 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 -1.83 5.87 3.38 -0.06 -3.32 115.31 119.35 2dkx h LEU 36 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2dkx h LEU 36 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2dkx h LEU 36 CO 0.00 0.17 0.47 0.17 0.09 0.00 0.00 178.44 179.34 2dkx h LEU 37 N -0.24 0.00 0.00 1.67 8.10 -0.93 0.34 115.31 124.25 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 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 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 -3.28 0.00 0.22 0.17 -0.00 -0.72 -2.97 117.44 110.85 2dkx n TRP 38 Ca 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.59 2dkx n TRP 38 Cb 0.59 -0.37 0.48 0.00 -0.00 0.00 0.00 31.31 32.00 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 1.11 -0.30 5.87 2.02 -1.58 -2.33 112.91 117.71 2dkx h THR 39 Ca 0.00 -0.82 0.09 0.00 0.77 0.00 0.00 66.41 66.45 2dkx h THR 39 Cb 0.00 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2dkx h THR 39 CO 0.00 0.23 0.23 -0.08 0.37 0.00 0.00 175.52 176.27 2dkx h GLU 40 N 0.00 0.00 0.00 6.66 4.81 -0.42 0.29 114.58 125.92 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 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2dkx h GLU 40 CO 0.03 0.00 -0.62 1.58 -0.73 0.00 0.00 179.01 179.27 2dkx n HIS 41 N -4.31 0.04 0.60 0.92 -0.00 -0.88 -0.43 115.22 111.16 2dkx n HIS 41 Ca 0.04 0.01 0.11 0.00 0.46 0.00 0.00 57.72 58.34 2dkx n HIS 41 Cb 0.39 -0.24 -0.03 0.00 -0.12 0.00 0.00 29.99 29.99 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 -1.56 0.26 0.00 1.57 6.02 0.84 -4.24 117.38 120.27 2dkx n GLN 42 Ca 0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2dkx n GLN 42 Cb 0.35 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.88 0.00 -3.33 1.08 4.02 -0.18 -5.01 117.16 111.85 2dkx n TYR 43 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.73 2dkx n TYR 43 Cb 0.43 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.82 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 -6.23 -2.97 -0.72 5.12 -0.80 -5.00 116.66 106.03 2dkx n ARG 44 Ca 0.00 0.69 -0.29 0.00 -1.93 0.00 0.00 57.85 56.31 2dkx n ARG 44 Cb 0.05 -5.27 -0.03 0.00 -1.16 0.00 0.00 32.46 26.05 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 -6.00 3.87 1.02 0.55 1.43 0.43 -5.03 118.68 114.96 2dkx s LEU 45 Ca 0.34 1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 54.31 2dkx s LEU 45 Cb -0.15 -3.87 0.20 0.00 0.03 0.00 0.00 46.19 42.40 2dkx s LEU 45 CO 0.60 -0.36 1.09 -2.16 0.23 0.00 0.00 176.35 175.75 2dkx s PRO 46 N -3.85 0.23 -0.63 1.29 0.04 -1.26 -4.78 135.00 126.05 2dkx s PRO 46 Ca 0.49 0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.72 2dkx s PRO 46 Cb -0.10 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.32 -2.85 1.87 -1.25 0.04 0.00 0.00 177.00 175.13 2dkx s PRO 47 N -4.98 2.62 0.01 0.56 0.04 -1.26 -4.79 135.00 127.20 2dkx s PRO 47 Ca 0.66 0.57 0.18 0.00 0.04 0.00 0.00 61.00 62.44 2dkx s PRO 47 Cb -0.18 -4.42 -0.18 0.00 0.04 0.00 0.00 34.50 29.76 2dkx s PRO 47 CO 0.58 -2.77 0.66 -1.33 0.04 0.00 0.00 177.00 174.18 2dkx n MET 48 N 9.17 0.64 -0.46 4.56 2.81 -1.26 -4.26 117.12 128.32 2dkx n MET 48 Ca 0.21 0.14 0.39 0.00 -1.81 0.00 0.00 57.70 56.63 2dkx n MET 48 Cb 0.52 -1.73 0.66 0.00 -0.71 0.00 0.00 33.22 31.96 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 1.43 -0.82 0.22 3.03 0.00 -1.26 0.23 105.19 108.02 2dkx n GLY 49 Ca -0.13 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 0.62 0.01 1.61 1.63 -1.98 0.88 116.57 119.33 2dkx h LYS 50 Ca 0.85 -0.42 -0.19 0.00 -0.85 0.00 0.00 60.65 60.04 2dkx h LYS 50 Cb 2.77 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 34.44 2dkx h LYS 50 CO -0.44 1.04 -0.92 0.00 -3.45 0.00 0.00 179.45 175.68 2dkx h ALA 51 N 0.87 0.49 -0.29 5.00 0.00 0.26 -3.21 119.26 122.37 2dkx h ALA 51 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2dkx h ALA 51 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dkx h ALA 51 CO 0.12 1.09 0.00 1.19 0.00 0.00 0.00 179.25 181.65 2dkx n PHE 52 N -3.50 0.37 -0.33 0.00 3.01 0.97 -4.50 117.46 113.49 2dkx n PHE 52 Ca -0.01 -0.22 0.20 0.00 1.01 0.00 0.00 57.45 58.43 2dkx n PHE 52 Cb 0.86 -0.00 0.46 0.00 -0.01 0.00 0.00 39.48 40.79 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 3.89 0.46 0.00 -1.08 3.07 0.79 0.31 115.11 122.55 2dkx h GLN 53 Ca 0.00 -0.03 -0.14 0.00 0.09 0.00 0.00 58.65 58.57 2dkx h GLN 53 Cb 0.89 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.32 2dkx h GLN 53 CO 0.00 0.31 -1.07 1.05 0.09 0.00 0.00 178.83 179.21 2dkx h GLU 54 N 0.47 0.00 -7.15 0.06 4.11 -1.82 -3.47 114.58 106.79 2dkx h GLU 54 Ca 0.60 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.52 2dkx h GLU 54 Cb 1.36 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.70 2dkx h GLU 54 CO -0.33 0.37 0.40 -0.51 0.07 0.00 0.00 179.01 179.01 2dkx s LEU 55 N -6.02 3.55 0.37 3.06 1.43 0.11 -5.06 118.68 116.12 2dkx s LEU 55 Ca -0.00 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.24 2dkx s LEU 55 Cb 0.08 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 2dkx s LEU 55 CO 0.79 -1.49 0.10 0.00 0.23 0.00 0.00 176.35 175.98 2dkx s ALA 56 N -2.05 2.69 0.18 4.21 0.00 -1.26 -4.90 121.76 120.63 2dkx s ALA 56 Ca 0.70 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 2dkx s ALA 56 Cb -0.23 0.72 0.08 0.00 0.00 0.00 0.00 23.12 23.69 2dkx s ALA 56 CO 0.35 -0.33 1.58 0.78 0.00 0.00 0.00 175.76 178.14 2dkx h GLY 57 N 1.92 -0.29 0.54 0.00 0.00 -1.39 -0.64 103.07 103.20 2dkx h GLY 57 Ca -0.38 0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2dkx h GLY 57 CO 0.62 -0.18 -0.35 0.07 0.00 0.00 0.00 176.54 176.70 2dkx h LYS 58 N -0.20 -0.64 -0.17 4.80 2.10 -1.66 -2.60 116.57 118.21 2dkx h LYS 58 Ca 0.20 0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.92 2dkx h LYS 58 Cb 0.56 0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 32.00 2dkx h LYS 58 CO -0.68 -0.42 -0.24 0.93 -2.00 0.00 0.00 179.45 177.03 2dkx h GLU 59 N -0.66 -0.18 -0.91 0.07 4.39 -1.72 0.83 114.58 116.40 2dkx h GLU 59 Ca -0.00 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.81 2dkx h GLU 59 Cb 0.63 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.20 2dkx h GLU 59 CO -0.12 -0.12 -0.49 1.28 -1.16 0.00 0.00 179.01 178.40 2dkx n LEU 60 N -3.86 -0.87 0.23 1.33 4.32 -0.32 0.20 117.00 118.03 2dkx n LEU 60 Ca -0.02 1.62 0.07 0.00 -0.02 0.00 0.00 56.01 57.66 2dkx n LEU 60 Cb 0.15 -0.25 0.56 0.00 -1.62 0.00 0.00 43.42 42.26 2dkx n LEU 60 CO 0.01 -1.35 0.90 0.00 -1.22 0.00 0.00 177.39 175.72 2dkx n ALA 62 N -2.42 2.71 -2.31 0.00 0.00 0.54 -4.86 120.51 114.17 2dkx n ALA 62 Ca -0.02 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 2dkx n ALA 62 Cb 0.27 -1.37 0.14 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 -1.13 -0.47 -4.19 0.00 2.00 0.28 -5.00 117.12 108.61 2dkx n MET 63 Ca 0.13 -2.27 -0.19 0.00 0.00 0.00 0.00 57.70 55.37 2dkx n MET 63 Cb 0.28 -0.84 -0.12 0.00 0.00 0.00 0.00 33.22 32.54 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 -4.99 1.74 0.13 7.83 0.01 -1.26 -5.01 113.70 112.15 2dkx s SER 64 Ca 0.64 -0.62 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 2dkx s SER 64 Cb -0.03 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2dkx s SER 64 CO 0.43 -0.06 1.11 1.21 0.41 0.00 0.00 173.24 176.34 2dkx n GLU 65 N 1.28 -0.28 -0.29 12.44 2.13 -1.26 0.20 120.64 134.86 2dkx n GLU 65 Ca -0.21 1.09 0.08 0.00 0.66 0.00 0.00 57.16 58.79 2dkx n GLU 65 Cb 0.54 -1.61 0.24 0.00 0.27 0.00 0.00 31.44 30.88 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 0.48 -0.61 5.31 5.08 -1.97 0.02 114.58 122.89 2dkx h GLU 66 Ca 0.15 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2dkx h GLU 66 Cb 0.33 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2dkx h GLU 66 CO -0.69 0.32 0.40 1.96 -1.00 0.00 0.00 179.01 180.00 2dkx h GLN 67 N 0.49 0.79 0.00 2.33 1.08 0.18 -0.56 115.11 119.42 2dkx h GLN 67 Ca 0.48 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 2dkx h GLN 67 Cb 0.78 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 2dkx h GLN 67 CO -0.43 0.52 -0.07 0.74 -0.95 0.00 0.00 178.83 178.64 2dkx h PHE 68 N 0.81 0.00 0.00 2.96 -1.00 0.29 -1.51 116.94 118.50 2dkx h PHE 68 Ca 0.23 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.92 2dkx h PHE 68 Cb -0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2dkx h PHE 68 CO -0.04 0.07 -0.94 0.00 -1.61 0.00 0.00 178.31 175.79 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.47 -2.18 114.38 116.32 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 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2dkx h ARG 69 CO 0.01 0.22 -0.29 1.96 -1.07 0.00 0.00 179.97 180.80 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 -0.06 -3.08 115.11 113.09 2dkx h GLN 70 Ca -0.07 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.01 2dkx h GLN 70 Cb 1.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 2dkx h GLN 70 CO 0.03 0.29 -1.91 2.89 -0.95 0.00 0.00 178.83 179.19 2dkx n ARG 71 N -4.05 0.91 -3.62 1.46 1.85 -1.19 -4.83 116.66 107.19 2dkx n ARG 71 Ca -0.02 -0.09 -0.29 0.00 -1.00 0.00 0.00 57.85 56.45 2dkx n ARG 71 Cb 0.35 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 30.22 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 -4.39 3.53 -0.02 2.89 0.15 -0.82 -4.95 113.70 110.08 2dkx s SER 72 Ca -0.07 -2.12 -0.26 0.00 0.70 0.00 0.00 55.95 54.21 2dkx s SER 72 Cb 0.08 -0.73 -0.20 0.00 -1.71 0.00 0.00 66.02 63.46 2dkx s SER 72 CO 0.68 -0.33 1.25 1.55 1.20 0.00 0.00 173.24 177.58 2dkx h PRO 73 N 7.31 -0.03 0.00 5.44 0.13 -1.80 0.50 132.00 143.55 2dkx h PRO 73 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2dkx h PRO 73 Cb 0.97 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dkx h PRO 73 CO 0.41 0.44 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.53 2dkx h LEU 74 N -0.52 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.39 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 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dkx h LEU 74 CO 0.01 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2dkx n GLY 75 N -0.86 0.40 5.86 0.83 0.00 -1.17 -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 4.11 0.43 0.32 -0.02 0.00 0.17 -1.89 105.19 108.32 2dkx n GLY 76 Ca 0.00 0.21 0.29 0.00 0.00 0.00 0.00 46.02 46.52 2dkx n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dkx n ASP 77 N 1.66 0.27 0.20 1.61 5.68 -1.26 -0.09 116.55 124.61 2dkx n ASP 77 Ca 0.00 1.65 -0.15 0.00 -0.50 0.00 0.00 54.79 55.79 2dkx n ASP 77 Cb 0.00 -0.77 -0.08 0.00 -1.14 0.00 0.00 41.12 39.13 2dkx n ASP 77 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2dkx h VAL 78 N 0.00 0.24 0.53 2.12 2.07 -1.75 0.21 116.25 119.66 2dkx h VAL 78 Ca 0.80 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.31 2dkx h VAL 78 Cb 2.06 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2dkx h VAL 78 CO -0.79 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 176.30 2dkx h LEU 79 N -0.72 -1.13 -2.00 2.57 3.38 -0.75 0.28 115.31 116.94 2dkx h LEU 79 Ca -0.01 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.23 2dkx h LEU 79 Cb 0.67 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2dkx h LEU 79 CO -0.11 -0.61 0.49 -0.74 0.09 0.00 0.00 178.44 177.57 2dkx h HIS 80 N -0.94 0.00 0.03 1.13 2.76 -1.28 0.14 115.15 116.99 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 0.80 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2dkx h HIS 80 CO -0.18 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 176.43 2dkx h ALA 81 N 1.62 -0.11 0.00 5.26 0.00 0.39 -2.83 119.26 123.58 2dkx h ALA 81 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2dkx h ALA 81 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2dkx h ALA 81 CO -0.00 -0.11 0.21 1.58 0.00 0.00 0.00 179.25 180.92 2dkx n HIS 82 N -2.87 0.54 0.07 0.00 -0.00 0.89 -0.60 115.22 113.25 2dkx n HIS 82 Ca -0.01 0.28 -0.23 0.00 -0.00 0.00 0.00 57.72 57.77 2dkx n HIS 82 Cb 0.02 -0.81 -0.15 0.00 -0.00 0.00 0.00 29.99 29.05 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 -0.96 0.27 5.85 -0.81 -3.34 115.31 116.90 2dkx h LEU 83 Ca 0.00 -0.91 0.30 0.00 0.84 0.00 0.00 57.88 58.11 2dkx h LEU 83 Cb 0.41 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.10 2dkx h LEU 83 CO 0.00 1.67 0.41 -0.78 -0.34 0.00 0.00 178.44 179.41 2dkx h ASP 84 N -0.07 0.24 -0.94 1.25 3.58 -0.59 0.79 116.42 120.68 2dkx h ASP 84 Ca -0.29 0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.45 2dkx h ASP 84 Cb 1.96 0.23 -0.07 0.00 1.72 0.00 0.00 39.33 43.17 2dkx h ASP 84 CO 0.16 -0.20 0.61 0.40 -2.88 0.00 0.00 179.24 177.33 2dkx h ILE 85 N 0.22 1.03 0.04 2.25 5.03 -1.68 0.18 117.51 124.57 2dkx h ILE 85 Ca 0.68 -0.35 -0.00 0.00 -0.12 0.00 0.00 64.86 65.07 2dkx h ILE 85 Cb 1.53 -0.09 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 2dkx h ILE 85 CO -0.67 0.19 -0.02 -0.50 -0.68 0.00 0.00 178.15 176.47 2dkx h TRP 86 N 1.02 -0.05 -0.94 1.37 4.06 0.38 -2.70 115.95 119.09 2dkx h TRP 86 Ca 0.42 -0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.65 2dkx h TRP 86 Cb 0.29 0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.32 2dkx h TRP 86 CO -0.00 -0.03 0.38 1.57 -3.56 0.00 0.00 178.44 176.80 2dkx h LYS 87 N -0.16 0.24 -0.77 0.49 2.10 -1.32 0.60 116.57 117.76 2dkx h LYS 87 Ca -0.01 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 2dkx h LYS 87 Cb 0.04 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.28 2dkx h LYS 87 CO 0.01 0.16 0.40 1.03 -2.00 0.00 0.00 179.45 179.05 2dkx h SER 88 N 0.25 0.97 1.42 7.07 0.87 -0.75 0.91 113.55 124.30 2dkx h SER 88 Ca 0.64 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2dkx h SER 88 Cb 1.39 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2dkx h SER 88 CO -0.65 0.80 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 2dkx h ALA 89 N 1.21 1.00 0.00 6.23 0.00 0.35 -3.12 119.26 124.93 2dkx h ALA 89 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dkx h ALA 89 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dkx h ALA 89 CO -0.04 0.00 -1.44 0.00 0.00 0.00 0.00 179.25 177.77 2dkx n ALA 90 N -1.86 3.73 0.35 0.00 0.00 0.86 -4.22 120.51 119.36 2dkx n ALA 90 Ca 0.04 -0.54 0.14 0.00 0.00 0.00 0.00 53.44 53.09 2dkx n ALA 90 Cb 0.41 -0.73 0.54 0.00 0.00 0.00 0.00 19.45 19.67 2dkx n ALA 90 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dkx h SER 91 N 0.00 0.00 0.00 0.00 4.64 0.89 -3.49 113.55 115.60 2dkx h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dkx h SER 91 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2dkx h SER 91 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2dkx n GLY 92 N 0.25 -0.50 3.75 -0.77 0.00 -1.25 -5.09 105.19 101.57 2dkx n GLY 92 Ca 0.02 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.84 1.82 -0.38 1.61 0.04 -1.26 -4.75 135.00 130.24 2dkx s PRO 93 Ca 0.00 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.11 2dkx s PRO 93 Cb 0.00 -1.86 0.44 0.00 0.04 0.00 0.00 34.50 33.12 2dkx s PRO 93 CO 0.00 -1.90 1.19 -1.13 0.04 0.00 0.00 177.00 175.19 2dkx n SER 94 N -3.68 4.93 -4.62 6.66 3.41 -1.26 -5.00 113.62 114.06 2dkx n SER 94 Ca 0.08 -3.74 -0.40 0.00 -0.26 0.00 0.00 58.87 54.55 2dkx n SER 94 Cb 0.54 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 2dkx n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dkx s SER 95 N -3.48 6.47 0.00 4.04 0.15 -1.26 -4.90 113.70 114.72 2dkx s SER 95 Ca 0.50 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.72 2dkx s SER 95 Cb 0.41 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 2dkx s SER 95 CO -0.08 -0.28 0.34 0.61 1.20 0.00 0.00 173.24 175.02