#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkj s VAL 2 N 0.00 5.15 0.58 3.15 1.01 -1.26 -0.47 120.40 128.57 1dkj s VAL 2 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1dkj s VAL 2 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1dkj s VAL 2 CO 0.00 -0.41 1.03 -0.36 0.00 0.00 0.00 175.10 175.36 1dkj s PHE 3 N 1.96 3.22 0.43 5.22 0.40 -0.05 -4.99 117.98 124.17 1dkj s PHE 3 Ca 0.09 1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 57.84 1dkj s PHE 3 Cb -0.18 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 1dkj s PHE 3 CO 0.12 -0.84 0.71 0.20 0.70 0.00 0.00 175.22 176.11 1dkj s GLY 4 N -3.16 1.53 0.14 4.36 0.00 -1.26 -4.83 107.32 104.10 1dkj s GLY 4 Ca 0.60 -0.57 -0.24 0.00 0.00 0.00 0.00 44.72 44.51 1dkj s GLY 4 CO 0.39 -0.43 1.62 -0.09 0.00 0.00 0.00 173.10 174.59 1dkj h ARG 5 N 0.54 -0.32 0.00 2.90 2.43 -1.96 -1.49 114.38 116.48 1dkj h ARG 5 Ca -0.48 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 1dkj h ARG 5 Cb 1.21 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1dkj h ARG 5 CO 0.62 -0.21 -0.54 0.00 -1.51 0.00 0.00 179.97 178.33 1dkj h GLU 7 N 0.00 0.64 -0.32 0.00 4.81 -1.87 -0.05 114.58 117.79 1dkj h GLU 7 Ca -0.01 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 58.90 1dkj h GLU 7 Cb 1.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1dkj h GLU 7 CO 0.07 0.78 -0.18 1.25 -0.73 0.00 0.00 179.01 180.20 1dkj h LEU 8 N 0.45 0.72 -0.73 1.64 5.85 -1.23 -1.03 115.31 120.97 1dkj h LEU 8 Ca 0.10 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1dkj h LEU 8 Cb 0.51 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1dkj h LEU 8 CO 0.02 0.98 0.46 0.00 -0.34 0.00 0.00 178.44 179.57 1dkj h ALA 9 N 0.76 0.95 -0.53 1.25 0.00 -1.23 0.24 119.26 120.70 1dkj h ALA 9 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1dkj h ALA 9 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1dkj h ALA 9 CO 0.05 0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.62 1dkj h ALA 10 N 1.30 0.71 -0.72 0.00 0.00 -0.90 -0.04 119.26 119.61 1dkj h ALA 10 Ca 0.29 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1dkj h ALA 10 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1dkj h ALA 10 CO -0.10 0.47 0.27 0.00 0.00 0.00 0.00 179.25 179.89 1dkj h ALA 11 N 0.97 0.94 -0.23 0.00 0.00 -0.41 -1.36 119.26 119.18 1dkj h ALA 11 Ca 0.16 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1dkj h ALA 11 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dkj h ALA 11 CO 0.02 0.58 -0.33 0.52 0.00 0.00 0.00 179.25 180.04 1dkj h MET 12 N 1.04 0.48 0.04 0.00 2.86 -0.30 -2.65 114.93 116.40 1dkj h MET 12 Ca 0.24 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1dkj h MET 12 Cb 0.24 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1dkj h MET 12 CO -0.02 0.75 -0.02 -0.22 1.06 0.00 0.00 176.91 178.47 1dkj h LYS 13 N 0.41 -0.05 -0.46 1.72 3.64 -0.73 -1.83 116.57 119.27 1dkj h LYS 13 Ca 0.05 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.57 1dkj h LYS 13 Cb 0.78 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1dkj h LYS 13 CO 0.06 0.10 0.33 0.00 -2.27 0.00 0.00 179.45 177.67 1dkj h ARG 14 N -0.19 0.01 -0.54 1.90 3.08 -1.11 -0.53 114.38 117.00 1dkj h ARG 14 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1dkj h ARG 14 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1dkj h ARG 14 CO 0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.63 1dkj n HIS 15 N -4.40 0.80 -1.69 3.04 8.25 -1.00 -4.94 115.22 115.27 1dkj n HIS 15 Ca 0.08 -0.35 -0.03 0.00 -0.26 0.00 0.00 57.72 57.16 1dkj n HIS 15 Cb 0.54 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.56 1dkj n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dkj n GLY 16 N 1.08 0.38 0.02 -1.41 0.00 -0.21 -4.94 105.19 100.12 1dkj n GLY 16 Ca 0.16 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1dkj n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dkj n LEU 17 N -0.36 0.55 -4.55 0.99 4.77 -0.72 -4.46 117.00 113.22 1dkj n LEU 17 Ca -0.03 0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 1dkj n LEU 17 Cb 0.36 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1dkj n LEU 17 CO 0.04 0.05 1.83 -0.62 -1.33 0.00 0.00 177.39 177.36 1dkj s ASP 18 N -3.48 4.70 -0.82 -1.43 -1.08 -1.26 -2.31 116.67 110.99 1dkj s ASP 18 Ca 0.09 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 1dkj s ASP 18 Cb 0.16 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1dkj s ASP 18 CO 0.71 -2.76 0.00 -3.20 0.52 0.00 0.00 175.17 170.44 1dkj n ASN 19 N 14.94 -3.50 -4.68 -0.34 5.15 -0.77 -4.81 115.26 121.25 1dkj n ASN 19 Ca 0.32 0.10 -0.42 0.00 -0.60 0.00 0.00 54.58 53.97 1dkj n ASN 19 Cb 0.53 -2.30 -0.03 0.00 -0.53 0.00 0.00 39.78 37.46 1dkj n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1dkj s TYR 20 N -2.37 2.26 -2.12 1.20 5.04 -0.98 -1.22 117.35 119.16 1dkj s TYR 20 Ca 0.00 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1dkj s TYR 20 Cb 0.00 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1dkj s TYR 20 CO 0.00 -4.00 0.00 0.54 -1.34 0.00 0.00 175.55 170.75 1dkj n ARG 21 N 6.00 -1.49 -0.56 4.97 3.00 -1.26 -1.47 116.66 125.84 1dkj n ARG 21 Ca 0.16 1.18 0.00 0.00 -0.01 0.00 0.00 57.85 59.19 1dkj n ARG 21 Cb 0.41 -5.62 0.00 0.00 0.00 0.00 0.00 32.46 27.25 1dkj n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1dkj n GLY 22 N -0.55 0.78 3.37 -0.13 0.00 -0.36 -5.02 105.19 103.28 1dkj n GLY 22 Ca -0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 1dkj n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dkj s TYR 23 N -3.08 3.16 0.79 1.61 2.02 -0.55 -4.92 117.35 116.39 1dkj s TYR 23 Ca 0.00 -1.00 -0.14 0.00 -0.37 0.00 0.00 57.07 55.55 1dkj s TYR 23 Cb 0.00 -3.64 0.03 0.00 -0.40 0.00 0.00 41.96 37.95 1dkj s TYR 23 CO 0.00 -1.03 0.90 -1.13 -1.57 0.00 0.00 175.55 172.72 1dkj n SER 24 N 5.63 -0.00 -0.31 2.29 3.41 -1.26 -1.84 113.62 121.53 1dkj n SER 24 Ca -0.11 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.21 1dkj n SER 24 Cb 0.42 -1.38 0.33 0.00 -0.26 0.00 0.00 64.21 63.32 1dkj n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1dkj h LEU 25 N -0.74 0.39 -2.05 1.04 5.85 -1.88 -1.03 115.31 116.90 1dkj h LEU 25 Ca -0.46 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1dkj h LEU 25 Cb 1.31 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1dkj h LEU 25 CO 0.44 0.01 -0.02 1.23 -0.34 0.00 0.00 178.44 179.76 1dkj h GLY 26 N 0.42 0.00 1.07 3.75 0.00 -1.90 -2.03 103.07 104.38 1dkj h GLY 26 Ca 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.80 1dkj h GLY 26 CO -0.53 0.00 -0.10 3.43 0.00 0.00 0.00 176.54 179.34 1dkj h ASN 27 N 0.00 0.99 -0.36 0.19 2.35 -1.46 -1.17 115.58 116.11 1dkj h ASN 27 Ca -0.00 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.31 1dkj h ASN 27 Cb 0.03 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1dkj h ASN 27 CO 0.00 1.11 -0.13 -0.50 -1.65 0.00 0.00 177.43 176.26 1dkj h TRP 28 N 0.85 0.82 -0.24 1.19 4.06 -1.41 -0.97 115.95 120.25 1dkj h TRP 28 Ca 0.13 -0.19 -0.04 0.00 2.06 0.00 0.00 58.89 60.85 1dkj h TRP 28 Cb 0.66 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1dkj h TRP 28 CO 0.05 0.90 -0.01 0.28 -3.56 0.00 0.00 178.44 176.09 1dkj h VAL 29 N 0.51 1.26 -0.23 1.49 2.07 -1.45 -1.39 116.25 118.51 1dkj h VAL 29 Ca 0.08 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.72 1dkj h VAL 29 Cb 0.66 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1dkj h VAL 29 CO 0.04 0.29 -0.04 0.00 0.02 0.00 0.00 177.57 177.89 1dkj h ALA 31 N 1.22 0.32 -0.71 0.00 0.00 -0.97 -2.45 119.26 116.66 1dkj h ALA 31 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1dkj h ALA 31 Cb 0.16 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1dkj h ALA 31 CO -0.21 -0.38 0.39 0.00 0.00 0.00 0.00 179.25 179.04 1dkj h ALA 32 N 1.27 1.34 0.20 0.00 0.00 -0.91 -0.53 119.26 120.63 1dkj h ALA 32 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1dkj h ALA 32 Cb 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1dkj h ALA 32 CO -0.24 0.54 -0.10 -0.22 0.00 0.00 0.00 179.25 179.23 1dkj h LYS 33 N 0.99 -0.26 0.00 0.00 1.63 -0.78 -1.28 116.57 116.88 1dkj h LYS 33 Ca 0.25 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1dkj h LYS 33 Cb 0.03 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1dkj h LYS 33 CO -0.04 -0.17 0.00 0.74 -3.45 0.00 0.00 179.45 176.53 1dkj h PHE 34 N -0.28 0.00 0.10 1.91 0.04 -1.27 0.39 116.94 117.83 1dkj h PHE 34 Ca -0.03 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.53 1dkj h PHE 34 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1dkj h PHE 34 CO -0.06 0.00 -1.05 0.93 -0.60 0.00 0.00 178.31 177.52 1dkj h GLU 35 N 0.00 0.20 0.00 1.51 4.39 -0.93 -3.43 114.58 116.32 1dkj h GLU 35 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1dkj h GLU 35 Cb 0.76 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1dkj h GLU 35 CO 0.00 1.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1dkj n SER 36 N -4.12 0.30 -2.65 1.42 3.41 -0.51 -4.85 113.62 106.62 1dkj n SER 36 Ca -0.21 -1.02 -0.21 0.00 -0.26 0.00 0.00 58.87 57.18 1dkj n SER 36 Cb 0.80 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1dkj n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1dkj n ASN 37 N -0.01 -5.87 -0.23 4.04 5.15 0.13 -2.08 115.26 116.39 1dkj n ASN 37 Ca 0.00 -0.17 -0.03 0.00 -0.60 0.00 0.00 54.58 53.78 1dkj n ASN 37 Cb 0.19 -4.77 -0.01 0.00 -0.53 0.00 0.00 39.78 34.66 1dkj n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1dkj n PHE 38 N -4.29 0.00 -3.14 1.20 3.72 -1.22 -4.83 117.46 108.90 1dkj n PHE 38 Ca -0.16 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.81 1dkj n PHE 38 Cb 0.64 -1.27 -0.07 0.00 -0.94 0.00 0.00 39.48 37.85 1dkj n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1dkj s ASN 39 N -2.26 6.28 0.57 4.37 2.47 -0.88 -0.87 114.94 124.63 1dkj s ASN 39 Ca 0.00 -0.53 0.32 0.00 0.42 0.00 0.00 52.86 53.07 1dkj s ASN 39 Cb 0.00 -2.30 1.74 0.00 -1.45 0.00 0.00 41.25 39.24 1dkj s ASN 39 CO 0.00 -0.80 2.17 0.77 -3.72 0.00 0.00 177.10 175.52 1dkj h SER 40 N 8.91 0.00 -0.29 -4.21 4.64 -1.10 -2.08 113.55 119.42 1dkj h SER 40 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1dkj h SER 40 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1dkj h SER 40 CO 0.91 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.92 1dkj n GLN 41 N -3.50 2.10 -1.86 4.77 1.13 -1.26 -4.06 117.38 114.70 1dkj n GLN 41 Ca -0.02 -1.66 -0.42 0.00 -1.94 0.00 0.00 57.00 52.96 1dkj n GLN 41 Cb 0.17 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 1dkj n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dkj s ALA 42 N -1.62 3.79 -0.00 -1.58 0.00 -0.78 -4.82 121.76 116.74 1dkj s ALA 42 Ca 0.35 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.80 1dkj s ALA 42 Cb 0.19 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1dkj s ALA 42 CO 0.28 -0.86 -0.05 0.95 0.00 0.00 0.00 175.76 176.07 1dkj s THR 43 N 0.65 0.42 -0.14 0.00 -4.23 -1.26 -0.89 115.64 110.20 1dkj s THR 43 Ca 0.68 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 1dkj s THR 43 Cb -0.46 -0.37 0.04 0.00 1.34 0.00 0.00 72.50 73.06 1dkj s THR 43 CO 0.38 0.09 0.02 0.21 -0.54 0.00 0.00 174.62 174.78 1dkj s ASN 44 N -0.20 2.28 0.26 3.99 3.84 0.10 -4.92 114.94 120.29 1dkj s ASN 44 Ca 0.01 -0.47 -0.29 0.00 0.21 0.00 0.00 52.86 52.32 1dkj s ASN 44 Cb -0.02 -0.53 -0.09 0.00 -0.55 0.00 0.00 41.25 40.06 1dkj s ASN 44 CO -0.00 -0.25 0.95 -0.13 -2.79 0.00 0.00 177.10 174.88 1dkj s ARG 45 N 1.91 4.79 0.25 0.43 0.52 -1.26 -0.21 118.95 125.38 1dkj s ARG 45 Ca 0.02 1.48 0.09 0.00 -0.52 0.00 0.00 55.73 56.80 1dkj s ARG 45 Cb -0.15 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1dkj s ARG 45 CO -0.07 0.45 -0.01 -0.80 0.02 0.00 0.00 175.30 174.89 1dkj s ASN 46 N -1.24 4.54 0.33 0.23 0.02 0.34 -4.96 114.94 114.21 1dkj s ASN 46 Ca 0.43 -0.62 0.07 0.00 -1.02 0.00 0.00 52.86 51.72 1dkj s ASN 46 Cb -0.25 -0.85 0.74 0.00 0.02 0.00 0.00 41.25 40.91 1dkj s ASN 46 CO 0.31 0.02 1.85 0.71 0.02 0.00 0.00 177.10 180.01 1dkj h THR 47 N 2.01 0.85 0.00 1.60 1.35 -1.98 0.13 112.91 116.87 1dkj h THR 47 Ca -0.45 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1dkj h THR 47 Cb 1.24 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1dkj h THR 47 CO 0.60 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 1dkj n ASP 48 N -4.59 0.00 0.00 5.36 5.75 -1.26 -4.76 116.55 117.05 1dkj n ASP 48 Ca 0.18 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 1dkj n ASP 48 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1dkj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dkj n GLY 49 N -0.15 0.58 3.96 6.12 0.00 0.45 -4.76 105.19 111.39 1dkj n GLY 49 Ca 0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1dkj n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dkj s SER 50 N -2.22 6.25 0.02 1.61 1.04 -1.22 -4.54 113.70 114.64 1dkj s SER 50 Ca 0.00 0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.62 1dkj s SER 50 Cb 0.00 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.28 1dkj s SER 50 CO 0.00 -0.20 -0.09 -0.89 0.98 0.00 0.00 173.24 173.04 1dkj s THR 51 N -2.13 0.66 -0.19 2.02 2.01 -1.26 0.13 115.64 116.88 1dkj s THR 51 Ca 0.38 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1dkj s THR 51 Cb -0.09 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1dkj s THR 51 CO 0.32 -0.01 0.12 -1.81 -0.69 0.00 0.00 174.62 172.55 1dkj s ASP 52 N -0.70 6.11 0.02 3.53 1.01 0.71 -1.00 116.67 126.34 1dkj s ASP 52 Ca -0.01 0.22 0.08 0.00 0.71 0.00 0.00 52.55 53.56 1dkj s ASP 52 Cb -0.05 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 1dkj s ASP 52 CO 0.00 0.20 -0.24 -0.31 0.21 0.00 0.00 175.17 175.03 1dkj s TYR 53 N 0.22 2.39 0.04 4.23 2.02 -0.51 -0.72 117.35 125.01 1dkj s TYR 53 Ca 0.08 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1dkj s TYR 53 Cb -0.11 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1dkj s TYR 53 CO -0.01 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 1dkj n GLY 54 N 1.95 -1.77 0.41 0.71 0.00 -0.07 -1.61 105.19 104.80 1dkj n GLY 54 Ca -0.17 -1.29 0.21 0.00 0.00 0.00 0.00 46.02 44.77 1dkj n GLY 54 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1dkj h VAL 55 N -0.16 0.64 -0.47 1.61 3.04 -1.73 -1.01 116.25 118.18 1dkj h VAL 55 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1dkj h VAL 55 Cb 0.16 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1dkj h VAL 55 CO 0.00 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.81 1dkj n LEU 56 N -4.50 3.27 -3.80 3.16 4.77 -1.26 -3.89 117.00 114.74 1dkj n LEU 56 Ca 0.20 -1.92 -0.33 0.00 -0.03 0.00 0.00 56.01 53.93 1dkj n LEU 56 Cb 0.75 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1dkj n LEU 56 CO 0.31 0.80 -0.12 0.00 -1.33 0.00 0.00 177.39 177.05 1dkj n GLN 57 N 0.97 -1.47 -2.68 3.23 1.13 -0.38 -4.90 117.38 113.28 1dkj n GLN 57 Ca 0.16 0.38 -0.43 0.00 -1.94 0.00 0.00 57.00 55.18 1dkj n GLN 57 Cb 0.50 -3.94 -0.02 0.00 0.11 0.00 0.00 30.24 26.89 1dkj n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1dkj s ILE 58 N -3.58 4.77 0.13 5.09 1.01 -0.63 -4.44 121.20 123.54 1dkj s ILE 58 Ca 0.38 2.04 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 1dkj s ILE 58 Cb -0.15 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 1dkj s ILE 58 CO 0.89 -0.03 1.17 0.21 0.00 0.00 0.00 174.94 177.18 1dkj s ASN 59 N 1.11 7.14 0.21 3.58 3.84 -1.26 -1.43 114.94 128.13 1dkj s ASN 59 Ca 0.48 2.09 0.24 0.00 0.21 0.00 0.00 52.86 55.88 1dkj s ASN 59 Cb -0.18 -2.59 0.92 0.00 -0.55 0.00 0.00 41.25 38.84 1dkj s ASN 59 CO 0.16 -0.37 1.72 -1.54 -2.79 0.00 0.00 177.10 174.29 1dkj n SER 60 N 3.07 0.63 -0.37 -4.21 3.41 -0.17 -2.24 113.62 113.74 1dkj n SER 60 Ca 0.06 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 1dkj n SER 60 Cb 0.46 -0.77 0.19 0.00 -0.26 0.00 0.00 64.21 63.83 1dkj n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1dkj h ARG 61 N 0.00 1.11 0.00 4.33 9.65 -1.83 -3.38 114.38 124.25 1dkj h ARG 61 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1dkj h ARG 61 Cb 0.47 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1dkj h ARG 61 CO 0.00 0.74 -0.58 0.91 2.80 0.00 0.00 179.97 183.83 1dkj n TRP 62 N -4.52 0.00 -0.07 2.20 7.02 -1.22 -4.00 117.44 116.84 1dkj n TRP 62 Ca 0.16 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.54 1dkj n TRP 62 Cb 0.22 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.96 1dkj n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1dkj n TRP 63 N -0.97 0.37 -3.97 -5.99 7.02 -0.95 -0.62 117.44 112.32 1dkj n TRP 63 Ca 0.00 0.12 -0.08 0.00 -1.02 0.00 0.00 57.50 56.52 1dkj n TRP 63 Cb 0.06 -1.07 -0.09 0.00 -2.42 0.00 0.00 31.31 27.79 1dkj n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1dkj s ASN 65 N -2.79 6.16 0.00 0.00 2.47 -0.09 -4.60 114.94 116.09 1dkj s ASN 65 Ca 0.04 0.10 0.09 0.00 0.42 0.00 0.00 52.86 53.51 1dkj s ASN 65 Cb 0.05 -2.18 0.22 0.00 -1.45 0.00 0.00 41.25 37.90 1dkj s ASN 65 CO -0.10 -0.17 1.14 -0.90 -3.72 0.00 0.00 177.10 173.36 1dkj n ASP 66 N 5.25 2.60 0.00 -4.21 5.75 -1.26 -1.67 116.55 123.01 1dkj n ASP 66 Ca -0.10 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1dkj n ASP 66 Cb 0.51 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1dkj n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dkj n GLY 67 N 0.35 0.39 0.22 6.12 0.00 -1.26 -4.78 105.19 106.23 1dkj n GLY 67 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1dkj n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dkj n LYS 68 N -1.61 0.23 -4.64 1.61 2.85 -1.26 -5.07 118.16 110.27 1dkj n LYS 68 Ca 0.00 -0.87 -0.33 0.00 -1.05 0.00 0.00 58.31 56.06 1dkj n LYS 68 Cb 0.10 -0.58 -0.13 0.00 -0.65 0.00 0.00 35.03 33.77 1dkj n LYS 68 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1dkj s THR 69 N -0.20 3.46 0.76 0.58 2.01 -1.26 -4.90 115.64 116.10 1dkj s THR 69 Ca 0.02 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 1dkj s THR 69 Cb 0.01 -2.46 0.04 0.00 0.01 0.00 0.00 72.50 70.10 1dkj s THR 69 CO 0.00 0.54 1.09 -2.65 -0.69 0.00 0.00 174.62 172.91 1dkj n PRO 70 N 3.14 0.40 0.00 4.92 -0.02 -1.26 -3.11 135.00 139.08 1dkj n PRO 70 Ca -0.18 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1dkj n PRO 70 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1dkj n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dkj n GLY 71 N 0.85 2.74 3.71 -1.23 0.00 -1.26 -4.65 105.19 105.34 1dkj n GLY 71 Ca 0.13 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1dkj n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dkj n SER 72 N 0.96 -4.24 -4.85 1.61 7.64 -1.18 -5.00 113.62 108.55 1dkj n SER 72 Ca 0.00 -0.69 -0.31 0.00 1.01 0.00 0.00 58.87 58.88 1dkj n SER 72 Cb 0.00 -4.45 -0.05 0.00 -1.01 0.00 0.00 64.21 58.70 1dkj n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1dkj s ARG 73 N -6.23 3.17 -0.46 1.43 1.81 -1.26 -5.04 118.95 112.36 1dkj s ARG 73 Ca 0.42 -0.57 0.07 0.00 -1.72 0.00 0.00 55.73 53.93 1dkj s ARG 73 Cb -0.20 -2.88 0.23 0.00 -0.45 0.00 0.00 34.95 31.64 1dkj s ARG 73 CO 0.78 0.59 0.72 -1.71 -0.68 0.00 0.00 175.30 175.00 1dkj n ASN 74 N 0.34 -1.96 0.25 0.23 5.15 -1.23 -4.26 115.26 113.78 1dkj n ASN 74 Ca -0.07 -3.01 0.08 0.00 -0.60 0.00 0.00 54.58 50.98 1dkj n ASN 74 Cb 0.51 0.96 0.61 0.00 -0.53 0.00 0.00 39.78 41.33 1dkj n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dkj h LEU 75 N 4.27 0.00 -0.38 1.20 3.38 -0.88 -0.53 115.31 122.37 1dkj h LEU 75 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dkj h LEU 75 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1dkj h LEU 75 CO 0.32 0.07 -0.27 0.00 0.09 0.00 0.00 178.44 178.66 1dkj n ASN 77 N -0.83 -2.44 -3.75 0.00 4.13 -0.21 -4.96 115.26 107.21 1dkj n ASN 77 Ca 0.11 -0.66 -0.10 0.00 1.68 0.00 0.00 54.58 55.61 1dkj n ASN 77 Cb 0.34 -4.97 -0.06 0.00 -1.54 0.00 0.00 39.78 33.54 1dkj n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1dkj s ILE 78 N -3.41 0.10 0.30 2.41 -4.36 -1.26 -5.06 121.20 109.91 1dkj s ILE 78 Ca 0.05 -0.79 -0.28 0.00 -0.26 0.00 0.00 60.65 59.38 1dkj s ILE 78 Cb -0.01 -1.12 -0.10 0.00 1.25 0.00 0.00 42.46 42.49 1dkj s ILE 78 CO 0.74 -0.44 0.96 -2.16 0.24 0.00 0.00 174.94 174.28 1dkj s PRO 79 N -3.29 4.66 0.57 0.37 0.04 -1.26 -0.92 135.00 135.17 1dkj s PRO 79 Ca 0.00 1.42 0.25 0.00 0.04 0.00 0.00 61.00 62.72 1dkj s PRO 79 Cb 0.02 -2.98 1.58 0.00 0.04 0.00 0.00 34.50 33.16 1dkj s PRO 79 CO -0.08 0.34 2.14 0.00 0.04 0.00 0.00 177.00 179.44 1dkj h SER 81 N 0.00 0.00 0.43 0.00 4.64 -1.91 -0.98 113.55 115.73 1dkj h SER 81 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1dkj h SER 81 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1dkj h SER 81 CO -0.00 0.06 -0.09 0.00 -0.87 0.00 0.00 176.83 175.92 1dkj h ALA 82 N 1.94 1.20 -0.00 5.18 0.00 -1.57 -2.03 119.26 123.99 1dkj h ALA 82 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dkj h ALA 82 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1dkj h ALA 82 CO 0.01 0.12 -0.11 1.28 0.00 0.00 0.00 179.25 180.54 1dkj n LEU 83 N -3.49 0.15 -0.37 0.00 4.77 -0.37 -3.35 117.00 114.34 1dkj n LEU 83 Ca -0.02 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1dkj n LEU 83 Cb 0.23 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.23 1dkj n LEU 83 CO 0.29 0.03 0.61 0.18 -1.33 0.00 0.00 177.39 177.17 1dkj n LEU 84 N -1.42 1.40 -4.74 2.23 4.77 -0.76 -4.05 117.00 114.43 1dkj n LEU 84 Ca 0.08 -0.44 -0.31 0.00 -0.03 0.00 0.00 56.01 55.32 1dkj n LEU 84 Cb 0.32 -0.07 0.12 0.00 -2.33 0.00 0.00 43.42 41.46 1dkj n LEU 84 CO 0.28 0.26 0.68 -0.55 -1.33 0.00 0.00 177.39 176.73 1dkj s SER 85 N -2.40 3.95 0.00 -1.43 0.15 -1.21 -4.34 113.70 108.42 1dkj s SER 85 Ca 0.25 1.79 0.29 0.00 0.70 0.00 0.00 55.95 58.98 1dkj s SER 85 Cb 0.19 -2.44 1.19 0.00 -1.71 0.00 0.00 66.02 63.25 1dkj s SER 85 CO 0.49 -2.38 1.84 -1.54 1.20 0.00 0.00 173.24 172.85 1dkj n SER 86 N -3.74 0.45 -4.59 5.45 3.41 -1.26 -4.58 113.62 108.76 1dkj n SER 86 Ca 0.09 -0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 57.81 1dkj n SER 86 Cb 0.53 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.30 1dkj n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dkj s ASP 87 N -2.53 6.14 0.00 4.04 2.15 -1.26 -4.96 116.67 120.25 1dkj s ASP 87 Ca 0.27 0.07 0.20 0.00 0.43 0.00 0.00 52.55 53.52 1dkj s ASP 87 Cb 0.20 -2.17 1.01 0.00 -0.30 0.00 0.00 42.92 41.67 1dkj s ASP 87 CO 0.49 -0.15 1.67 2.30 -0.17 0.00 0.00 175.17 179.31 1dkj n ILE 88 N 5.11 0.06 -0.12 4.11 -5.35 -1.26 -4.51 119.36 117.39 1dkj n ILE 88 Ca -0.11 -0.11 -0.09 0.00 -0.27 0.00 0.00 62.75 62.17 1dkj n ILE 88 Cb 0.51 -0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.29 1dkj n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1dkj h THR 89 N 0.69 0.16 -0.28 7.28 2.02 -1.93 -1.18 112.91 119.67 1dkj h THR 89 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1dkj h THR 89 Cb 0.15 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1dkj h THR 89 CO 0.00 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.79 1dkj h ALA 90 N 0.57 1.32 -0.50 6.16 0.00 -1.85 -1.51 119.26 123.46 1dkj h ALA 90 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1dkj h ALA 90 Cb 0.57 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1dkj h ALA 90 CO -0.56 0.45 0.09 1.15 0.00 0.00 0.00 179.25 180.39 1dkj h THR 91 N 0.42 1.25 -0.15 0.00 2.02 -1.65 -1.44 112.91 113.36 1dkj h THR 91 Ca 0.08 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 1dkj h THR 91 Cb 0.43 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1dkj h THR 91 CO 0.02 0.33 -0.10 0.58 0.37 0.00 0.00 175.52 176.72 1dkj h VAL 92 N 0.71 1.33 -0.71 3.16 2.07 -0.98 -0.49 116.25 121.33 1dkj h VAL 92 Ca 0.15 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.51 1dkj h VAL 92 Cb 0.38 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1dkj h VAL 92 CO 0.01 0.35 0.45 0.78 0.02 0.00 0.00 177.57 179.18 1dkj h ASN 93 N -0.01 0.75 -0.37 0.57 -0.26 -1.26 -1.28 115.58 113.72 1dkj h ASN 93 Ca 0.03 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.68 1dkj h ASN 93 Cb 0.60 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1dkj h ASN 93 CO 0.03 0.53 -0.12 0.00 -1.06 0.00 0.00 177.43 176.81 1dkj h ALA 95 N 0.82 1.58 -0.11 0.00 0.00 -0.76 -1.14 119.26 119.66 1dkj h ALA 95 Ca 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1dkj h ALA 95 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1dkj h ALA 95 CO 0.04 0.31 -0.31 0.87 0.00 0.00 0.00 179.25 180.15 1dkj h LYS 96 N 0.22 0.20 -0.30 0.00 1.57 -1.16 -1.96 116.57 115.15 1dkj h LYS 96 Ca 0.05 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1dkj h LYS 96 Cb 0.30 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1dkj h LYS 96 CO 0.02 0.50 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.85 1dkj h LYS 97 N 0.18 0.74 -0.47 3.15 1.63 -1.13 -2.69 116.57 117.98 1dkj h LYS 97 Ca 0.02 -0.40 -0.07 0.00 -0.85 0.00 0.00 60.65 59.35 1dkj h LYS 97 Cb 0.65 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1dkj h LYS 97 CO 0.05 1.02 0.00 0.82 -3.45 0.00 0.00 179.45 177.90 1dkj h ILE 98 N 0.50 1.26 0.00 2.00 2.04 -0.99 -2.91 117.51 119.41 1dkj h ILE 98 Ca 0.04 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 1dkj h ILE 98 Cb 0.90 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1dkj h ILE 98 CO 0.08 0.36 -0.09 1.62 0.00 0.00 0.00 178.15 180.12 1dkj h VAL 99 N 0.67 0.19 0.00 1.67 3.04 -1.39 -2.96 116.25 117.46 1dkj h VAL 99 Ca 0.13 -0.97 -0.21 0.00 -1.01 0.00 0.00 66.70 64.64 1dkj h VAL 99 Cb 0.50 1.82 -0.03 0.00 -2.01 0.00 0.00 31.29 31.57 1dkj h VAL 99 CO 0.02 0.09 -1.09 0.28 -1.01 0.00 0.00 177.57 175.87 1dkj h SER 100 N 0.00 0.00 0.06 3.17 0.02 -1.41 -3.36 113.55 112.03 1dkj h SER 100 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1dkj h SER 100 Cb 0.82 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.37 1dkj h SER 100 CO 0.01 0.94 -0.52 -0.78 -1.14 0.00 0.00 176.83 175.34 1dkj h ASP 101 N 0.00 0.35 0.00 3.07 1.82 -1.34 -3.49 116.42 116.84 1dkj h ASP 101 Ca -0.06 -0.89 0.00 0.00 -0.39 0.00 0.00 57.03 55.69 1dkj h ASP 101 Cb 1.77 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.67 1dkj h ASP 101 CO 0.11 1.21 0.00 0.61 -1.61 0.00 0.00 179.24 179.56 1dkj n GLY 102 N 1.41 1.37 2.49 -0.78 0.00 -1.23 -4.97 105.19 103.48 1dkj n GLY 102 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1dkj n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dkj n ASN 103 N 0.00 6.50 0.00 1.61 5.15 -1.26 -5.01 115.26 122.25 1dkj n ASN 103 Ca 0.00 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.76 1dkj n ASN 103 Cb 0.00 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 1dkj n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dkj n GLY 104 N 0.83 2.83 0.00 8.20 0.00 -1.26 -1.70 105.19 114.09 1dkj n GLY 104 Ca 0.49 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1dkj n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dkj n MET 105 N 14.00 0.41 0.10 1.61 2.81 -1.26 -2.95 117.12 131.83 1dkj n MET 105 Ca 0.00 0.06 0.07 0.00 -1.81 0.00 0.00 57.70 56.03 1dkj n MET 105 Cb 0.00 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 31.38 1dkj n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dkj n ASN 106 N -1.18 0.36 0.29 7.83 3.02 -0.69 -1.11 115.26 123.78 1dkj n ASN 106 Ca 0.11 0.65 0.15 0.00 -0.03 0.00 0.00 54.58 55.47 1dkj n ASN 106 Cb 0.13 -0.70 0.90 0.00 -0.61 0.00 0.00 39.78 39.49 1dkj n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dkj h ALA 107 N 2.06 1.47 -2.71 5.41 0.00 -1.71 -3.37 119.26 120.41 1dkj h ALA 107 Ca 0.00 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1dkj h ALA 107 Cb 0.06 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.66 1dkj h ALA 107 CO 0.00 0.02 -0.48 -1.58 0.00 0.00 0.00 179.25 177.21 1dkj s TRP 108 N -4.55 3.23 0.31 0.00 0.51 -0.27 -4.96 118.94 113.21 1dkj s TRP 108 Ca -0.05 -0.22 0.08 0.00 -2.12 0.00 0.00 56.10 53.79 1dkj s TRP 108 Cb 0.15 -2.48 0.51 0.00 -0.81 0.00 0.00 33.47 30.84 1dkj s TRP 108 CO 0.55 -0.37 1.73 -0.24 -0.51 0.00 0.00 176.95 178.11 1dkj h VAL 109 N 5.50 1.30 -0.73 4.03 3.04 -1.86 -2.45 116.25 125.08 1dkj h VAL 109 Ca -0.31 -1.45 -0.04 0.00 -1.01 0.00 0.00 66.70 63.88 1dkj h VAL 109 Cb 1.16 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 32.07 1dkj h VAL 109 CO 0.64 0.43 0.28 0.00 -1.01 0.00 0.00 177.57 177.90 1dkj h ALA 110 N 1.43 1.12 -0.35 3.17 0.00 -1.92 -1.39 119.26 121.32 1dkj h ALA 110 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1dkj h ALA 110 Cb 0.77 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1dkj h ALA 110 CO 0.06 0.62 0.16 2.35 0.00 0.00 0.00 179.25 182.44 1dkj h TRP 111 N 1.06 0.52 -0.64 0.00 7.01 -1.77 -0.60 115.95 121.52 1dkj h TRP 111 Ca 0.24 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.25 1dkj h TRP 111 Cb 0.22 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 1dkj h TRP 111 CO 0.02 0.46 0.38 0.00 -2.79 0.00 0.00 178.44 176.50 1dkj h ARG 112 N 0.43 0.71 0.03 2.65 3.08 -0.97 0.77 114.38 121.09 1dkj h ARG 112 Ca 0.12 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.87 1dkj h ARG 112 Cb 0.14 -0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.05 1dkj h ARG 112 CO -0.01 0.47 -1.06 -0.91 -1.07 0.00 0.00 179.97 177.38 1dkj h ASN 113 N 0.73 0.75 -0.00 7.04 2.35 -1.08 -3.38 115.58 121.99 1dkj h ASN 113 Ca 0.27 -0.63 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1dkj h ASN 113 Cb 0.08 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1dkj h ASN 113 CO -0.13 1.44 -0.08 0.54 -1.65 0.00 0.00 177.43 177.55 1dkj n ARG 114 N -3.78 3.18 -0.02 0.81 5.12 -0.25 -4.88 116.66 116.84 1dkj n ARG 114 Ca -0.10 -0.30 -0.06 0.00 -1.93 0.00 0.00 57.85 55.45 1dkj n ARG 114 Cb 0.90 -0.82 -0.02 0.00 -1.16 0.00 0.00 32.46 31.35 1dkj n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dkj n LYS 116 N -3.53 1.20 -0.87 0.00 4.81 -0.53 -1.55 118.16 117.70 1dkj n LYS 116 Ca -0.12 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1dkj n LYS 116 Cb 0.44 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1dkj n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dkj n GLY 117 N 2.35 1.02 3.75 3.14 0.00 -1.26 -4.95 105.19 109.23 1dkj n GLY 117 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1dkj n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dkj s THR 118 N -3.59 3.18 -0.79 2.61 -4.23 -0.59 -5.03 115.64 107.20 1dkj s THR 118 Ca 0.00 -1.66 -0.25 0.00 -1.18 0.00 0.00 61.69 58.60 1dkj s THR 118 Cb 0.00 -3.01 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1dkj s THR 118 CO 0.00 -0.20 1.77 -0.62 -0.54 0.00 0.00 174.62 175.03 1dkj s ASP 119 N -3.85 5.48 0.00 3.99 -1.08 -1.26 -4.82 116.67 115.13 1dkj s ASP 119 Ca 0.37 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 52.33 1dkj s ASP 119 Cb -0.03 -2.55 1.23 0.00 -1.46 0.00 0.00 42.92 40.11 1dkj s ASP 119 CO 0.23 -2.34 1.88 1.33 0.52 0.00 0.00 175.17 176.79 1dkj n VAL 120 N 7.32 0.00 0.20 1.11 0.24 -1.26 -3.61 118.33 122.33 1dkj n VAL 120 Ca 0.27 -0.03 0.12 0.00 -2.04 0.00 0.00 64.34 62.67 1dkj n VAL 120 Cb 0.50 -0.25 0.68 0.00 -1.47 0.00 0.00 33.84 33.30 1dkj n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1dkj h GLN 121 N 0.24 0.00 0.00 7.34 4.15 -1.91 0.15 115.11 125.08 1dkj h GLN 121 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1dkj h GLN 121 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1dkj h GLN 121 CO 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 178.83 177.01 1dkj h ALA 122 N 1.92 1.10 0.00 3.38 0.00 -1.98 -1.29 119.26 122.40 1dkj h ALA 122 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1dkj h ALA 122 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dkj h ALA 122 CO -0.00 -0.10 -0.29 -1.49 0.00 0.00 0.00 179.25 177.37 1dkj h TRP 123 N 0.00 0.00 -0.30 0.00 4.06 -1.23 -3.09 115.95 115.39 1dkj h TRP 123 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1dkj h TRP 123 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1dkj h TRP 123 CO 0.00 0.29 0.00 0.44 -3.56 0.00 0.00 178.44 175.61 1dkj n ILE 124 N -3.24 2.35 -2.10 1.49 -5.35 -0.50 -4.85 119.36 107.17 1dkj n ILE 124 Ca 0.02 -1.85 -0.41 0.00 -0.27 0.00 0.00 62.75 60.23 1dkj n ILE 124 Cb 0.59 -0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.20 1dkj n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1dkj s ARG 125 N -2.84 4.33 0.00 6.28 3.52 -1.17 -2.60 118.95 126.47 1dkj s ARG 125 Ca 0.44 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 1dkj s ARG 125 Cb 0.35 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1dkj s ARG 125 CO 0.09 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 174.71 1dkj n GLY 126 N 1.71 0.34 3.83 8.12 0.00 -1.26 -4.99 105.19 112.94 1dkj n GLY 126 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1dkj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dkj s ARG 128 N -1.09 3.25 0.00 0.00 0.52 -1.26 -5.12 118.95 115.25 1dkj s ARG 128 Ca 0.25 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 1dkj s ARG 128 Cb -0.17 -5.13 0.00 0.00 0.52 0.00 0.00 34.95 30.16 1dkj s ARG 128 CO 0.14 -2.52 0.00 1.47 0.02 0.00 0.00 175.30 174.41