#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 3.08 0.64 1.61 0.01 -1.26 -5.12 113.70 112.68 2dkx s SER 2 Ca 0.00 -0.74 -0.17 0.00 1.31 0.00 0.00 55.95 56.34 2dkx s SER 2 Cb 0.00 -1.12 -0.08 0.00 0.21 0.00 0.00 66.02 65.03 2dkx s SER 2 CO 0.00 -0.14 0.32 -1.54 0.41 0.00 0.00 173.24 172.28 2dkx n SER 3 N 4.76 -1.92 -4.73 2.44 3.41 -1.26 -4.88 113.62 111.43 2dkx n SER 3 Ca -0.14 0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 2dkx n SER 3 Cb 0.47 -1.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 2dkx n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dkx s GLY 4 N -1.25 2.79 0.24 5.00 0.00 -1.26 -5.05 107.32 107.80 2dkx s GLY 4 Ca 0.63 0.80 0.07 0.00 0.00 0.00 0.00 44.72 46.22 2dkx s GLY 4 CO 0.60 1.71 0.16 -1.35 0.00 0.00 0.00 173.10 174.22 2dkx s SER 5 N 0.13 5.39 0.63 1.64 1.04 -1.26 -5.07 113.70 116.20 2dkx s SER 5 Ca 0.51 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 56.48 2dkx s SER 5 Cb -0.29 -1.33 -0.05 0.00 0.10 0.00 0.00 66.02 64.45 2dkx s SER 5 CO 0.34 -0.02 0.81 -0.24 0.98 0.00 0.00 173.24 175.11 2dkx n SER 6 N -1.01 0.05 0.00 7.02 2.88 -1.26 -3.96 113.62 117.34 2dkx n SER 6 Ca -0.08 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2dkx n SER 6 Cb 0.58 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkx n GLY 7 N 1.42 2.25 0.08 0.46 0.00 -1.26 -4.75 105.19 103.39 2dkx n GLY 7 Ca 0.13 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 0.68 -0.21 0.99 -0.00 -1.25 -3.73 117.00 113.48 2dkx n LEU 8 Ca 0.00 0.53 0.31 0.00 -0.00 0.00 0.00 56.01 56.84 2dkx n LEU 8 Cb 0.00 -0.33 0.66 0.00 -0.00 0.00 0.00 43.42 43.75 2dkx n LEU 8 CO 0.00 -0.14 1.28 0.11 -0.00 0.00 0.00 177.39 178.64 2dkx h LYS 9 N 0.00 0.00 0.00 1.47 1.79 -1.86 1.31 116.57 119.28 2dkx h LYS 9 Ca 0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 2dkx h LYS 9 Cb 0.70 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 2dkx h LYS 9 CO 0.00 0.00 -1.53 -0.25 -1.08 0.00 0.00 179.45 176.59 2dkx n ASP 10 N -3.72 0.78 -0.01 0.86 8.00 -1.24 -4.22 116.55 117.00 2dkx n ASP 10 Ca 0.21 0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.94 2dkx n ASP 10 Cb 1.23 0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 42.51 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 1.14 -1.00 0.53 2.04 0.15 -2.82 117.51 117.55 2dkx h ILE 11 Ca -0.20 -0.42 0.19 0.00 1.00 0.00 0.00 64.86 65.43 2dkx h ILE 11 Cb 1.66 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 38.93 2dkx h ILE 11 CO 0.05 0.12 0.61 1.05 0.00 0.00 0.00 178.15 179.98 2dkx h GLU 12 N -0.04 0.74 0.00 2.37 4.11 -1.59 0.53 114.58 120.70 2dkx h GLU 12 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2dkx h GLU 12 Cb 0.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dkx h GLU 12 CO -0.00 0.49 -0.05 1.15 0.07 0.00 0.00 179.01 180.67 2dkx h THR 13 N 0.77 0.26 0.00 -1.06 2.02 -1.67 -1.03 112.91 112.19 2dkx h THR 13 Ca 0.57 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.41 2dkx h THR 13 Cb 0.89 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2dkx h THR 13 CO -0.37 0.05 -0.77 0.00 0.37 0.00 0.00 175.52 174.80 2dkx n ALA 14 N -2.18 3.45 0.80 6.16 0.00 0.18 -3.86 120.51 125.05 2dkx n ALA 14 Ca -0.02 -0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2dkx n ALA 14 Cb 0.20 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2dkx n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkx h LYS 16 N 0.00 -0.14 -0.08 0.00 1.57 -1.49 0.80 116.57 117.23 2dkx h LYS 16 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2dkx h LYS 16 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2dkx h LYS 16 CO 0.00 0.33 -0.40 1.37 -0.57 0.00 0.00 179.45 180.18 2dkx h LEU 17 N -0.72 0.19 0.00 2.94 -0.00 -1.76 -2.83 115.31 113.12 2dkx h LEU 17 Ca -0.02 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.74 2dkx h LEU 17 Cb 0.54 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 2dkx h LEU 17 CO 0.03 0.58 -0.81 -0.07 -0.00 0.00 0.00 178.44 178.16 2dkx h LEU 18 N 0.15 0.00 -1.01 0.17 3.38 -1.67 -3.48 115.31 112.85 2dkx h LEU 18 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 2dkx h LEU 18 Cb 0.78 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.66 2dkx h LEU 18 CO 0.06 0.21 -0.60 -3.20 0.09 0.00 0.00 178.44 174.99 2dkx n ASN 19 N -2.89 -5.16 -3.64 -0.43 5.15 0.27 -5.01 115.26 103.54 2dkx n ASN 19 Ca -0.01 -0.48 -0.19 0.00 -0.60 0.00 0.00 54.58 53.30 2dkx n ASN 19 Cb 0.64 -4.44 -0.03 0.00 -0.53 0.00 0.00 39.78 35.41 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 -4.51 0.00 -3.53 -1.44 -5.35 -0.71 -5.03 119.36 98.79 2dkx n ILE 20 Ca -0.04 -1.42 -0.38 0.00 -0.27 0.00 0.00 62.75 60.65 2dkx n ILE 20 Cb 0.57 0.18 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.00 5.08 0.60 7.28 -1.32 -1.26 -4.79 115.64 119.23 2dkx s THR 21 Ca 0.04 0.78 0.29 0.00 -1.21 0.00 0.00 61.69 61.59 2dkx s THR 21 Cb -0.00 -3.69 0.36 0.00 -1.51 0.00 0.00 72.50 67.66 2dkx s THR 21 CO 0.03 0.57 1.98 0.00 -2.21 0.00 0.00 174.62 174.98 2dkx h ALA 22 N 4.87 1.90 -2.32 11.08 0.00 -1.95 -3.39 119.26 129.44 2dkx h ALA 22 Ca -0.51 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 53.80 2dkx h ALA 22 Cb 1.22 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2dkx h ALA 22 CO 0.62 -0.50 0.43 0.34 0.00 0.00 0.00 179.25 180.14 2dkx s ASP 23 N -5.28 6.84 0.27 0.00 -1.08 -1.26 -4.81 116.67 111.34 2dkx s ASP 23 Ca -0.04 1.04 0.05 0.00 -0.52 0.00 0.00 52.55 53.08 2dkx s ASP 23 Cb 0.14 -2.43 0.38 0.00 -1.46 0.00 0.00 42.92 39.55 2dkx s ASP 23 CO 0.50 -0.48 1.65 1.55 0.52 0.00 0.00 175.17 178.92 2dkx h PRO 24 N 7.62 0.26 0.00 4.34 0.13 -1.87 -2.63 132.00 139.86 2dkx h PRO 24 Ca -0.25 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2dkx h PRO 24 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2dkx h PRO 24 CO 0.86 0.68 0.00 -1.33 -0.23 0.00 0.00 178.00 177.98 2dkx n MET 25 N -3.98 0.23 0.00 0.86 2.81 -1.25 -1.84 117.12 113.94 2dkx n MET 25 Ca -0.02 0.13 0.07 0.00 -1.81 0.00 0.00 57.70 56.08 2dkx n MET 25 Cb 0.52 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.09 -4.50 7.83 9.92 -1.00 -3.08 116.55 125.53 2dkx n ASP 26 Ca 0.08 -1.05 -0.43 0.00 -0.53 0.00 0.00 54.79 52.86 2dkx n ASP 26 Cb 0.13 0.77 -0.07 0.00 -0.64 0.00 0.00 41.12 41.31 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 -0.82 1.31 -3.49 1.24 8.01 -0.77 -4.86 117.44 118.06 2dkx n TRP 27 Ca 0.04 0.23 -0.14 0.00 -1.31 0.00 0.00 57.50 56.32 2dkx n TRP 27 Cb 0.27 -2.54 -0.04 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 9.51 -0.56 -0.02 -0.99 1.04 -1.26 -1.31 113.70 120.11 2dkx s SER 28 Ca 1.11 0.33 -0.25 0.00 0.48 0.00 0.00 55.95 57.63 2dkx s SER 28 Cb -0.69 0.51 -0.19 0.00 0.10 0.00 0.00 66.02 65.75 2dkx s SER 28 CO 0.40 -0.71 1.22 1.55 0.98 0.00 0.00 173.24 176.69 2dkx h PRO 29 N 2.46 -0.07 -0.55 4.02 0.13 -2.03 -3.38 132.00 132.59 2dkx h PRO 29 Ca -0.28 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.47 2dkx h PRO 29 Cb 1.22 0.02 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 2dkx h PRO 29 CO 0.37 0.39 -0.57 -1.13 -0.23 0.00 0.00 178.00 176.83 2dkx n SER 30 N -4.90 4.09 0.24 1.44 3.41 -1.26 -4.76 113.62 111.89 2dkx n SER 30 Ca -0.08 -3.80 0.10 0.00 -0.26 0.00 0.00 58.87 54.82 2dkx n SER 30 Cb 0.25 -0.45 0.66 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.77 0.00 -0.72 4.04 4.21 -1.77 -2.56 115.58 120.56 2dkx h ASN 31 Ca 0.28 0.00 0.16 0.00 1.21 0.00 0.00 56.30 57.95 2dkx h ASN 31 Cb 1.37 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 38.45 2dkx h ASN 31 CO 0.59 0.00 0.02 0.58 -1.29 0.00 0.00 177.43 177.34 2dkx h VAL 32 N 0.00 0.39 -0.97 2.81 2.07 -1.86 0.18 116.25 118.87 2dkx h VAL 32 Ca 0.02 -0.04 0.27 0.00 0.82 0.00 0.00 66.70 67.77 2dkx h VAL 32 Cb 0.10 0.26 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 2dkx h VAL 32 CO -0.00 0.02 0.52 1.56 0.02 0.00 0.00 177.57 179.69 2dkx h GLN 33 N 0.12 0.41 -0.04 1.57 1.08 -1.82 0.12 115.11 116.56 2dkx h GLN 33 Ca 0.39 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2dkx h GLN 33 Cb 0.68 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2dkx h GLN 33 CO -0.62 0.27 0.01 0.87 -0.95 0.00 0.00 178.83 178.42 2dkx h LYS 34 N 0.42 0.06 0.00 1.46 1.57 -0.82 -1.13 116.57 118.13 2dkx h LYS 34 Ca 0.66 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.41 2dkx h LYS 34 Cb 1.35 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.65 2dkx h LYS 34 CO -0.55 0.22 -0.06 2.35 -0.57 0.00 0.00 179.45 180.84 2dkx h TRP 35 N -0.12 0.00 0.00 -1.35 7.01 -0.68 -2.35 115.95 118.47 2dkx h TRP 35 Ca 0.01 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2dkx h TRP 35 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2dkx h TRP 35 CO -0.01 0.06 0.00 1.28 -2.79 0.00 0.00 178.44 176.98 2dkx n LEU 36 N -3.55 0.52 -0.18 0.65 4.77 0.10 -3.56 117.00 115.75 2dkx n LEU 36 Ca -0.02 0.45 0.29 0.00 -0.03 0.00 0.00 56.01 56.70 2dkx n LEU 36 Cb 0.18 -0.40 0.60 0.00 -2.33 0.00 0.00 43.42 41.46 2dkx n LEU 36 CO 0.27 -0.40 1.27 0.17 -1.33 0.00 0.00 177.39 177.36 2dkx h LEU 37 N 0.00 0.00 0.00 2.23 8.10 -1.27 0.31 115.31 124.68 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 -3.53 0.00 -0.01 0.17 -0.00 -0.88 -2.60 117.44 110.59 2dkx n TRP 38 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.66 2dkx n TRP 38 Cb 1.28 -0.33 0.17 0.00 -0.00 0.00 0.00 31.31 32.43 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 1.27 -1.00 5.87 2.02 -1.42 -2.79 112.91 116.86 2dkx h THR 39 Ca 0.00 -1.29 0.28 0.00 0.77 0.00 0.00 66.41 66.17 2dkx h THR 39 Cb 0.00 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 2dkx h THR 39 CO 0.00 0.42 0.70 -0.08 0.37 0.00 0.00 175.52 176.93 2dkx h GLU 40 N 0.49 0.09 0.00 6.66 4.81 -0.51 1.01 114.58 127.14 2dkx h GLU 40 Ca 0.07 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2dkx h GLU 40 Cb 0.69 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2dkx h GLU 40 CO 0.05 0.06 -0.72 1.25 -0.73 0.00 0.00 179.01 178.92 2dkx h HIS 41 N 0.10 0.00 0.00 0.92 2.76 -1.23 0.24 115.15 117.93 2dkx h HIS 41 Ca 0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2dkx h HIS 41 Cb 1.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.74 2dkx h HIS 41 CO -0.00 0.00 -0.75 1.04 -1.30 0.00 0.00 177.93 176.92 2dkx n GLN 42 N -2.51 0.20 0.00 5.26 6.02 0.32 -4.04 117.38 122.64 2dkx n GLN 42 Ca 0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2dkx n GLN 42 Cb 0.50 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.87 0.00 -3.29 1.08 4.02 0.69 -5.02 117.16 112.77 2dkx n TYR 43 Ca 0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.75 2dkx n TYR 43 Cb 0.41 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.79 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 -0.30 -5.96 -3.14 -0.72 5.12 -0.58 -5.01 116.66 106.08 2dkx n ARG 44 Ca 0.00 0.66 -0.28 0.00 -1.93 0.00 0.00 57.85 56.30 2dkx n ARG 44 Cb 0.01 -5.18 -0.02 0.00 -1.16 0.00 0.00 32.46 26.10 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 -5.81 3.94 1.02 0.55 1.43 0.73 -5.03 118.68 115.52 2dkx s LEU 45 Ca 0.30 0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 54.07 2dkx s LEU 45 Cb -0.13 -3.65 0.20 0.00 0.03 0.00 0.00 46.19 42.64 2dkx s LEU 45 CO 0.58 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 2dkx s PRO 46 N -3.89 0.25 -0.66 1.29 0.04 -1.26 -4.78 135.00 125.99 2dkx s PRO 46 Ca 0.45 0.46 -0.26 0.00 0.04 0.00 0.00 61.00 61.69 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 0.33 -2.84 1.88 -1.25 0.04 0.00 0.00 177.00 175.16 2dkx s PRO 47 N -4.98 2.61 0.07 0.56 0.04 -1.26 -4.79 135.00 127.25 2dkx s PRO 47 Ca 0.66 0.46 0.17 0.00 0.04 0.00 0.00 61.00 62.33 2dkx s PRO 47 Cb -0.18 -4.50 -0.13 0.00 0.04 0.00 0.00 34.50 29.73 2dkx s PRO 47 CO 0.58 -2.85 0.84 0.52 0.04 0.00 0.00 177.00 176.14 2dkx h MET 48 N 14.39 0.00 -0.93 4.56 2.86 -1.96 -3.38 114.93 130.47 2dkx h MET 48 Ca -0.20 0.00 0.23 0.00 -2.06 0.00 0.00 59.70 57.67 2dkx h MET 48 Cb 1.14 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.63 2dkx h MET 48 CO 1.22 0.28 -0.05 0.78 1.06 0.00 0.00 176.91 180.19 2dkx h GLY 49 N 3.72 1.00 1.59 8.32 0.00 -1.93 1.45 103.07 117.23 2dkx h GLY 49 Ca -0.15 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.40 2dkx h GLY 49 CO 0.04 -0.42 0.20 1.70 0.00 0.00 0.00 176.54 178.06 2dkx h LYS 50 N 0.03 0.25 0.00 4.80 1.63 -1.99 1.52 116.57 122.80 2dkx h LYS 50 Ca 0.52 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.30 2dkx h LYS 50 Cb 0.97 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2dkx h LYS 50 CO -0.88 0.16 -0.99 0.00 -3.45 0.00 0.00 179.45 174.28 2dkx h ALA 51 N 1.84 0.52 -0.29 5.00 0.00 0.14 -3.32 119.26 123.14 2dkx h ALA 51 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dkx h ALA 51 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dkx h ALA 51 CO -0.02 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.47 2dkx n PHE 52 N -2.71 0.38 -0.30 0.00 3.01 0.23 -4.54 117.46 113.53 2dkx n PHE 52 Ca -0.00 -0.28 0.11 0.00 1.01 0.00 0.00 57.45 58.29 2dkx n PHE 52 Cb 0.57 -0.01 0.34 0.00 -0.01 0.00 0.00 39.48 40.37 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 3.08 0.75 0.00 -1.08 4.20 0.20 0.17 115.11 122.43 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 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2dkx h GLN 53 CO 0.00 0.49 -0.34 1.05 -0.67 0.00 0.00 178.83 179.36 2dkx h GLU 54 N 0.77 0.00 -7.16 1.46 4.11 -1.84 -3.46 114.58 108.46 2dkx h GLU 54 Ca 0.48 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 59.44 2dkx h GLU 54 Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.97 2dkx h GLU 54 CO -0.24 0.00 0.37 -0.51 0.07 0.00 0.00 179.01 178.70 2dkx s LEU 55 N -5.31 3.69 0.00 3.06 1.43 0.61 -5.08 118.68 117.07 2dkx s LEU 55 Ca 0.06 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 2dkx s LEU 55 Cb 0.09 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.77 2dkx s LEU 55 CO 0.69 -0.60 0.15 0.00 0.23 0.00 0.00 176.35 176.82 2dkx n ALA 56 N -1.39 0.54 0.06 4.21 0.00 -1.26 -4.91 120.51 117.77 2dkx n ALA 56 Ca 0.07 -1.86 -0.12 0.00 0.00 0.00 0.00 53.44 51.53 2dkx n ALA 56 Cb 0.54 1.29 -0.05 0.00 0.00 0.00 0.00 19.45 21.23 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 1.53 -0.56 0.51 0.00 0.00 -1.32 -0.71 103.07 102.51 2dkx h GLY 57 Ca -0.28 0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.48 2dkx h GLY 57 CO 0.43 -0.24 -0.23 0.07 0.00 0.00 0.00 176.54 176.58 2dkx h LYS 58 N -0.49 -0.37 -0.01 4.80 2.10 -1.66 -2.56 116.57 118.39 2dkx h LYS 58 Ca 0.06 0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.74 2dkx h LYS 58 Cb 0.57 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 2dkx h LYS 58 CO -0.27 -0.25 -0.23 0.93 -2.00 0.00 0.00 179.45 177.63 2dkx h GLU 59 N -0.38 -0.27 -0.87 0.07 4.39 -1.85 0.65 114.58 116.31 2dkx h GLU 59 Ca 0.05 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.87 2dkx h GLU 59 Cb 0.44 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.04 2dkx h GLU 59 CO -0.18 -0.18 -0.45 1.28 -1.16 0.00 0.00 179.01 178.31 2dkx n LEU 60 N -3.79 -0.79 0.23 1.33 4.32 -0.30 0.23 117.00 118.23 2dkx n LEU 60 Ca -0.03 1.54 0.08 0.00 -0.02 0.00 0.00 56.01 57.58 2dkx n LEU 60 Cb 0.17 -0.26 0.54 0.00 -1.62 0.00 0.00 43.42 42.26 2dkx n LEU 60 CO 0.05 -1.31 0.87 0.00 -1.22 0.00 0.00 177.39 175.78 2dkx n ALA 62 N -2.39 2.61 -2.01 0.00 0.00 0.63 -4.87 120.51 114.48 2dkx n ALA 62 Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 2dkx n ALA 62 Cb 0.30 -1.36 0.18 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.86 -1.03 -4.19 0.00 2.00 0.40 -5.01 117.12 107.43 2dkx n MET 63 Ca 0.06 -2.09 -0.18 0.00 0.00 0.00 0.00 57.70 55.49 2dkx n MET 63 Cb 0.39 -1.19 -0.12 0.00 0.00 0.00 0.00 33.22 32.30 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 -5.52 1.76 0.09 7.83 0.01 -1.26 -5.01 113.70 111.60 2dkx s SER 64 Ca 0.71 -0.66 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 2dkx s SER 64 Cb -0.02 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 2dkx s SER 64 CO 0.49 -0.09 1.03 1.21 0.41 0.00 0.00 173.24 176.29 2dkx n GLU 65 N 1.12 -0.25 -0.31 12.44 2.13 -1.26 0.19 120.64 134.70 2dkx n GLU 65 Ca -0.20 1.01 0.13 0.00 0.66 0.00 0.00 57.16 58.76 2dkx n GLU 65 Cb 0.55 -1.49 0.31 0.00 0.27 0.00 0.00 31.44 31.08 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 0.44 -0.49 5.31 5.08 -1.96 0.98 114.58 123.93 2dkx h GLU 66 Ca 0.09 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2dkx h GLU 66 Cb 0.24 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2dkx h GLU 66 CO -0.54 0.29 0.30 1.96 -1.00 0.00 0.00 179.01 180.02 2dkx h GLN 67 N 0.45 0.59 0.00 2.33 1.08 0.17 -0.66 115.11 119.07 2dkx h GLN 67 Ca 0.56 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.71 2dkx h GLN 67 Cb 1.05 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2dkx h GLN 67 CO -0.50 0.39 -0.11 0.74 -0.95 0.00 0.00 178.83 178.40 2dkx h PHE 68 N 0.61 0.00 0.00 2.96 -1.00 0.43 -1.29 116.94 118.65 2dkx h PHE 68 Ca 0.19 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 2dkx h PHE 68 Cb -0.02 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.54 2dkx h PHE 68 CO -0.06 0.11 -0.36 0.00 -1.61 0.00 0.00 178.31 176.40 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.42 -2.05 114.38 116.50 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 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2dkx h ARG 69 CO 0.01 0.03 -0.30 1.96 -1.07 0.00 0.00 179.97 180.60 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.07 -3.18 115.11 113.12 2dkx h GLN 70 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 2dkx h GLN 70 Cb 1.03 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.40 2dkx h GLN 70 CO 0.00 0.30 -2.07 2.89 -0.95 0.00 0.00 178.83 179.01 2dkx n ARG 71 N -3.75 1.43 -3.71 1.46 1.85 -1.21 -4.85 116.66 107.87 2dkx n ARG 71 Ca -0.01 -0.01 -0.30 0.00 -1.00 0.00 0.00 57.85 56.53 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 -4.90 3.85 -0.02 2.89 0.15 -0.77 -4.99 113.70 109.91 2dkx s SER 72 Ca -0.08 -2.01 -0.26 0.00 0.70 0.00 0.00 55.95 54.31 2dkx s SER 72 Cb 0.05 -0.90 -0.20 0.00 -1.71 0.00 0.00 66.02 63.25 2dkx s SER 72 CO 0.64 -0.36 1.27 1.55 1.20 0.00 0.00 173.24 177.55 2dkx h PRO 73 N 7.56 0.02 0.00 5.44 0.13 -1.81 0.41 132.00 143.76 2dkx h PRO 73 Ca -0.08 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 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 0.50 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.65 2dkx h LEU 74 N -0.45 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.45 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dkx h LEU 74 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2dkx n GLY 75 N -1.06 0.44 5.62 0.83 0.00 -1.16 -4.92 105.19 104.94 2dkx n GLY 75 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2dkx n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkx n GLY 76 N 4.08 0.33 0.33 -0.02 0.00 0.14 -2.34 105.19 107.71 2dkx n GLY 76 Ca 0.00 0.28 0.26 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 0.21 -0.32 1.61 3.04 -1.80 0.26 116.42 119.43 2dkx h ASP 77 Ca 0.00 0.24 0.07 0.00 -3.24 0.00 0.00 57.03 54.11 2dkx h ASP 77 Cb 0.00 0.28 -0.08 0.00 -1.04 0.00 0.00 39.33 38.49 2dkx h ASP 77 CO 0.00 -0.34 -0.26 0.58 -2.04 0.00 0.00 179.24 177.18 2dkx h VAL 78 N 0.09 0.34 0.78 4.15 2.07 -1.84 0.51 116.25 122.35 2dkx h VAL 78 Ca 0.77 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.25 2dkx h VAL 78 Cb 1.89 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2dkx h VAL 78 CO -0.75 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 176.39 2dkx h LEU 79 N -0.23 -0.89 -2.16 2.57 3.38 -0.76 0.31 115.31 117.53 2dkx h LEU 79 Ca 0.16 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2dkx h LEU 79 Cb 0.48 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2dkx h LEU 79 CO -0.45 -0.63 0.28 -0.74 0.09 0.00 0.00 178.44 176.99 2dkx h HIS 80 N -1.06 0.00 0.00 1.13 2.76 -1.14 0.37 115.15 117.21 2dkx h HIS 80 Ca -0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2dkx h HIS 80 Cb 0.81 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.77 2dkx h HIS 80 CO -0.02 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 176.57 2dkx h ALA 81 N 1.64 0.00 0.00 5.26 0.00 0.67 -3.02 119.26 123.82 2dkx h ALA 81 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dkx h ALA 81 Cb 0.66 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dkx h ALA 81 CO -0.00 0.04 0.11 1.25 0.00 0.00 0.00 179.25 180.65 2dkx h HIS 82 N -0.26 0.00 0.23 0.00 6.17 -0.27 -0.77 115.15 120.26 2dkx h HIS 82 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 60.37 60.77 2dkx h HIS 82 Cb 0.04 0.00 0.03 0.00 2.52 0.00 0.00 27.41 30.00 2dkx h HIS 82 CO -0.02 0.00 -1.37 1.25 0.71 0.00 0.00 177.93 178.51 2dkx h LEU 83 N 0.00 0.77 -1.32 0.26 5.85 -0.40 -3.30 115.31 117.17 2dkx h LEU 83 Ca 0.00 -0.93 0.33 0.00 0.84 0.00 0.00 57.88 58.12 2dkx h LEU 83 Cb 0.22 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 40.89 2dkx h LEU 83 CO 0.00 1.66 0.71 -0.78 -0.34 0.00 0.00 178.44 179.69 2dkx h ASP 84 N 0.04 0.40 -0.66 1.25 1.82 -0.99 0.70 116.42 118.97 2dkx h ASP 84 Ca -0.24 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.49 2dkx h ASP 84 Cb 2.06 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 42.11 2dkx h ASP 84 CO 0.25 -0.03 0.34 0.40 -1.61 0.00 0.00 179.24 178.58 2dkx h ILE 85 N 0.29 1.22 0.10 2.25 5.03 -1.64 0.01 117.51 124.77 2dkx h ILE 85 Ca 0.69 -0.59 -0.00 0.00 -0.12 0.00 0.00 64.86 64.83 2dkx h ILE 85 Cb 1.86 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 35.99 2dkx h ILE 85 CO -0.39 0.25 -0.05 -0.50 -0.68 0.00 0.00 178.15 176.79 2dkx h TRP 86 N 0.96 -0.12 -0.95 1.37 4.06 0.21 -2.78 115.95 118.70 2dkx h TRP 86 Ca 0.24 -0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.44 2dkx h TRP 86 Cb 0.08 0.04 -0.13 0.00 -1.00 0.00 0.00 29.16 28.15 2dkx h TRP 86 CO 0.01 -0.08 0.47 1.57 -3.56 0.00 0.00 178.44 176.85 2dkx h LYS 87 N -0.50 0.40 -0.45 0.49 2.10 -1.35 0.55 116.57 117.81 2dkx h LYS 87 Ca -0.01 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 2dkx h LYS 87 Cb 0.10 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2dkx h LYS 87 CO 0.02 0.26 0.24 1.03 -2.00 0.00 0.00 179.45 179.00 2dkx h SER 88 N 0.41 0.58 1.49 7.07 0.87 -1.10 0.42 113.55 123.28 2dkx h SER 88 Ca 0.62 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2dkx h SER 88 Cb 1.26 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 2dkx h SER 88 CO -0.55 0.52 0.00 0.00 -0.53 0.00 0.00 176.83 176.27 2dkx h ALA 89 N 1.08 1.00 0.00 6.23 0.00 -0.34 -3.05 119.26 124.19 2dkx h ALA 89 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dkx h ALA 89 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dkx h ALA 89 CO -0.02 0.00 -1.15 0.00 0.00 0.00 0.00 179.25 178.07 2dkx n ALA 90 N -1.99 2.71 -1.54 0.00 0.00 0.16 -4.14 120.51 115.70 2dkx n ALA 90 Ca 0.03 -0.30 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 2dkx n ALA 90 Cb 0.41 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.89 2dkx n ALA 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dkx n SER 91 N -2.48 7.06 0.00 0.00 2.88 0.14 -5.04 113.62 116.18 2dkx n SER 91 Ca -0.00 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.75 2dkx n SER 91 Cb 0.53 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 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 -0.84 -1.16 3.63 0.46 0.00 -1.25 -4.95 105.19 101.08 2dkx n GLY 92 Ca 0.58 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 -0.45 -0.06 1.61 0.04 -1.26 -4.28 135.00 130.59 2dkx s PRO 93 Ca 0.00 0.21 -0.09 0.00 0.04 0.00 0.00 61.00 61.15 2dkx s PRO 93 Cb 0.00 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 2dkx s PRO 93 CO 0.00 -3.26 -0.19 0.45 0.04 0.00 0.00 177.00 174.05 2dkx n SER 94 N -4.49 1.51 -4.10 6.66 2.88 -1.26 -4.87 113.62 109.95 2dkx n SER 94 Ca 0.09 0.24 -0.34 0.00 -1.33 0.00 0.00 58.87 57.53 2dkx n SER 94 Cb 0.58 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 2dkx n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dkx n SER 95 N -3.98 -3.87 -0.06 -3.46 7.64 -1.26 -5.18 113.62 103.45 2dkx n SER 95 Ca -0.09 -0.92 0.01 0.00 1.01 0.00 0.00 58.87 58.88 2dkx n SER 95 Cb 0.31 -3.21 0.01 0.00 -1.01 0.00 0.00 64.21 60.31 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64