#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqi s VAL 2 N 0.00 2.61 0.56 3.15 1.01 -1.26 -0.54 120.40 125.93 2dqi s VAL 2 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 2dqi s VAL 2 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2dqi s VAL 2 CO 0.00 0.07 1.03 -0.36 0.00 0.00 0.00 175.10 175.84 2dqi s PHE 3 N 1.23 3.21 0.32 5.22 0.40 -0.31 -5.00 117.98 123.05 2dqi s PHE 3 Ca -0.04 1.48 -0.07 0.00 -0.60 0.00 0.00 56.93 57.71 2dqi s PHE 3 Cb -0.18 -2.90 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 2dqi s PHE 3 CO -0.04 -0.79 0.62 0.20 0.70 0.00 0.00 175.22 175.90 2dqi s GLY 4 N -2.98 1.91 0.07 4.36 0.00 -1.26 -4.85 107.32 104.57 2dqi s GLY 4 Ca 0.61 -0.44 -0.17 0.00 0.00 0.00 0.00 44.72 44.72 2dqi s GLY 4 CO 0.36 -0.31 1.28 -0.09 0.00 0.00 0.00 173.10 174.34 2dqi h ARG 5 N 1.62 -0.21 -0.61 2.90 2.43 -1.97 -1.12 114.38 117.42 2dqi h ARG 5 Ca -0.47 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2dqi h ARG 5 Cb 1.19 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2dqi h ARG 5 CO 0.66 -0.14 0.40 0.00 -1.51 0.00 0.00 179.97 179.38 2dqi h GLU 7 N 0.79 0.70 -0.13 0.00 4.81 -1.77 -1.94 114.58 117.04 2dqi h GLU 7 Ca 0.23 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 2dqi h GLU 7 Cb -0.05 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2dqi h GLU 7 CO -0.05 0.46 -0.63 1.25 -0.73 0.00 0.00 179.01 179.31 2dqi h LEU 8 N 0.72 0.54 -0.85 1.64 5.85 -0.77 -1.99 115.31 120.45 2dqi h LEU 8 Ca 0.21 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2dqi h LEU 8 Cb -0.04 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2dqi h LEU 8 CO -0.07 1.04 0.54 0.00 -0.34 0.00 0.00 178.44 179.61 2dqi h ALA 9 N 0.96 1.08 -0.42 1.25 0.00 -1.04 0.52 119.26 121.62 2dqi h ALA 9 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2dqi h ALA 9 Cb 1.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2dqi h ALA 9 CO 0.11 0.52 -0.30 0.00 0.00 0.00 0.00 179.25 179.58 2dqi h ALA 10 N 1.29 0.60 -0.31 0.00 0.00 -1.28 -0.94 119.26 118.62 2dqi h ALA 10 Ca 0.31 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dqi h ALA 10 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dqi h ALA 10 CO -0.06 0.65 0.11 0.00 0.00 0.00 0.00 179.25 179.94 2dqi h ALA 11 N 0.80 0.40 -0.20 0.00 0.00 -0.65 -1.68 119.26 117.94 2dqi h ALA 11 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2dqi h ALA 11 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dqi h ALA 11 CO 0.08 0.02 -0.20 0.52 0.00 0.00 0.00 179.25 179.68 2dqi h MET 12 N 0.35 0.35 -0.24 0.00 2.86 0.13 -0.48 114.93 117.88 2dqi h MET 12 Ca 0.10 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2dqi h MET 12 Cb 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2dqi h MET 12 CO -0.01 0.54 0.06 -0.22 1.06 0.00 0.00 176.91 178.35 2dqi h LYS 13 N 0.32 0.38 -0.42 1.72 3.64 -0.96 -1.55 116.57 119.70 2dqi h LYS 13 Ca 0.06 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2dqi h LYS 13 Cb 0.54 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2dqi h LYS 13 CO 0.04 0.48 0.24 -0.09 -2.27 0.00 0.00 179.45 177.85 2dqi h ARG 14 N 0.22 0.56 -0.72 1.90 2.43 -0.82 -1.32 114.38 116.63 2dqi h ARG 14 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2dqi h ARG 14 Cb 0.27 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2dqi h ARG 14 CO -0.00 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.59 2dqi n HIS 15 N -4.44 0.51 -3.28 2.20 8.25 -0.23 -4.91 115.22 113.33 2dqi n HIS 15 Ca 0.03 -0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.12 2dqi n HIS 15 Cb 0.09 -0.17 0.06 0.00 1.12 0.00 0.00 29.99 31.09 2dqi n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dqi n GLY 16 N 0.33 -0.24 0.15 -1.41 0.00 -0.50 -4.95 105.19 98.57 2dqi n GLY 16 Ca 0.08 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2dqi n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dqi n LEU 17 N -3.93 1.29 -4.61 0.99 4.77 -0.62 -4.64 117.00 110.25 2dqi n LEU 17 Ca -0.01 -0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 54.96 2dqi n LEU 17 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 2dqi n LEU 17 CO 0.49 0.28 1.28 -0.62 -1.33 0.00 0.00 177.39 177.50 2dqi s ASP 18 N -2.78 6.34 -0.76 -1.43 2.15 -1.26 -2.94 116.67 115.98 2dqi s ASP 18 Ca 0.11 1.09 -0.05 0.00 0.43 0.00 0.00 52.55 54.13 2dqi s ASP 18 Cb 0.16 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 2dqi s ASP 18 CO 0.76 -1.38 0.62 -3.20 -0.17 0.00 0.00 175.17 171.79 2dqi n ASN 19 N 8.77 -4.38 -4.63 -0.34 5.15 -0.64 -4.86 115.26 114.32 2dqi n ASN 19 Ca 0.17 -0.28 -0.42 0.00 -0.60 0.00 0.00 54.58 53.46 2dqi n ASN 19 Cb 0.47 -2.98 -0.05 0.00 -0.53 0.00 0.00 39.78 36.69 2dqi n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2dqi s TYR 20 N -3.15 3.29 -1.40 1.20 5.04 -0.97 -4.09 117.35 117.26 2dqi s TYR 20 Ca 0.31 1.01 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 2dqi s TYR 20 Cb -0.14 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.14 2dqi s TYR 20 CO 0.38 -0.41 0.41 0.54 -1.34 0.00 0.00 175.55 175.13 2dqi n ARG 21 N 5.97 -3.07 -0.95 4.97 5.12 -1.26 -1.70 116.66 125.74 2dqi n ARG 21 Ca 0.04 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 2dqi n ARG 21 Cb 0.48 -4.45 0.00 0.00 -1.16 0.00 0.00 32.46 27.33 2dqi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dqi n GLY 22 N -2.01 0.73 3.37 -0.13 0.00 -1.26 -5.01 105.19 100.88 2dqi n GLY 22 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 2dqi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dqi s TYR 23 N -3.05 3.13 0.77 1.61 2.02 -0.69 -4.99 117.35 116.15 2dqi s TYR 23 Ca 0.00 -0.86 -0.12 0.00 -0.37 0.00 0.00 57.07 55.72 2dqi s TYR 23 Cb 0.00 -2.25 0.06 0.00 -0.40 0.00 0.00 41.96 39.37 2dqi s TYR 23 CO 0.00 -0.53 1.12 -1.54 -1.57 0.00 0.00 175.55 173.03 2dqi s SER 24 N 1.53 4.28 0.28 2.29 1.04 -1.26 -1.62 113.70 120.23 2dqi s SER 24 Ca 0.04 2.01 0.02 0.00 0.48 0.00 0.00 55.95 58.49 2dqi s SER 24 Cb -0.17 -2.55 0.65 0.00 0.10 0.00 0.00 66.02 64.06 2dqi s SER 24 CO 0.03 -2.19 1.73 0.25 0.98 0.00 0.00 173.24 174.04 2dqi h LEU 25 N -0.91 0.47 -1.90 2.42 5.85 -1.90 -1.26 115.31 118.08 2dqi h LEU 25 Ca -0.45 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.53 2dqi h LEU 25 Cb 1.25 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 2dqi h LEU 25 CO 0.50 0.12 0.38 1.23 -0.34 0.00 0.00 178.44 180.33 2dqi h GLY 26 N 0.53 0.17 1.00 3.75 0.00 -1.90 -1.70 103.07 104.92 2dqi h GLY 26 Ca 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.79 2dqi h GLY 26 CO -0.44 0.02 0.36 3.43 0.00 0.00 0.00 176.54 179.91 2dqi h ASN 27 N 0.11 0.86 -0.12 0.19 2.35 -1.45 -0.88 115.58 116.63 2dqi h ASN 27 Ca 0.26 -0.11 -0.22 0.00 -0.55 0.00 0.00 56.30 55.68 2dqi h ASN 27 Cb 0.87 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 39.03 2dqi h ASN 27 CO -0.03 0.72 -0.77 -0.50 -1.65 0.00 0.00 177.43 175.20 2dqi h TRP 28 N 0.93 1.03 -0.23 1.19 4.06 -1.43 -0.47 115.95 121.04 2dqi h TRP 28 Ca 0.24 -0.45 -0.03 0.00 2.06 0.00 0.00 58.89 60.70 2dqi h TRP 28 Cb 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.05 2dqi h TRP 28 CO -0.00 1.28 0.02 0.28 -3.56 0.00 0.00 178.44 176.46 2dqi h VAL 29 N 0.52 1.24 -0.77 1.49 2.07 -1.42 -1.04 116.25 118.33 2dqi h VAL 29 Ca -0.05 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2dqi h VAL 29 Cb 1.39 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 2dqi h VAL 29 CO 0.16 0.25 0.47 0.00 0.02 0.00 0.00 177.57 178.47 2dqi h ALA 31 N 1.25 0.31 -0.92 0.00 0.00 -0.83 -2.31 119.26 116.76 2dqi h ALA 31 Ca 0.28 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2dqi h ALA 31 Cb -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2dqi h ALA 31 CO -0.05 -0.22 0.60 0.00 0.00 0.00 0.00 179.25 179.58 2dqi h ALA 32 N 1.09 1.33 -0.01 0.00 0.00 -0.86 0.39 119.26 121.19 2dqi h ALA 32 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2dqi h ALA 32 Cb -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2dqi h ALA 32 CO -0.02 0.62 -0.04 -0.22 0.00 0.00 0.00 179.25 179.59 2dqi h LYS 33 N 1.25 -0.06 0.00 0.00 1.63 -0.78 -1.55 116.57 117.05 2dqi h LYS 33 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.14 2dqi h LYS 33 Cb -0.13 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 2dqi h LYS 33 CO -0.07 -0.04 -0.63 0.74 -3.45 0.00 0.00 179.45 176.00 2dqi h PHE 34 N -0.06 0.00 0.15 1.91 0.04 -1.24 0.22 116.94 117.96 2dqi h PHE 34 Ca 0.02 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.50 2dqi h PHE 34 Cb 0.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.25 2dqi h PHE 34 CO -0.12 0.00 -1.42 0.93 -0.60 0.00 0.00 178.31 177.10 2dqi h GLU 35 N 0.00 0.33 0.00 1.51 4.39 -0.91 -3.42 114.58 116.47 2dqi h GLU 35 Ca 0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 2dqi h GLU 35 Cb 0.86 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2dqi h GLU 35 CO 0.00 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 177.99 2dqi n SER 36 N -3.84 0.36 -3.70 1.42 3.41 -0.77 -4.81 113.62 105.69 2dqi n SER 36 Ca -0.22 -1.10 -0.26 0.00 -0.26 0.00 0.00 58.87 57.03 2dqi n SER 36 Cb 0.96 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.97 2dqi n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dqi n ASN 37 N -0.05 -5.60 -1.15 4.04 5.15 0.07 -1.69 115.26 116.02 2dqi n ASN 37 Ca 0.00 -0.63 -0.15 0.00 -0.60 0.00 0.00 54.58 53.20 2dqi n ASN 37 Cb 0.28 -4.65 -0.06 0.00 -0.53 0.00 0.00 39.78 34.82 2dqi n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2dqi n PHE 38 N -4.86 0.00 -3.59 1.20 3.72 -0.92 -4.85 117.46 108.16 2dqi n PHE 38 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 2dqi n PHE 38 Cb 0.56 -2.75 -0.11 0.00 -0.94 0.00 0.00 39.48 36.24 2dqi n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2dqi s ASN 39 N -2.75 5.91 0.00 4.37 3.84 -0.68 -1.16 114.94 124.48 2dqi s ASN 39 Ca 0.00 -0.26 0.18 0.00 0.21 0.00 0.00 52.86 52.99 2dqi s ASN 39 Cb 0.00 -2.10 0.77 0.00 -0.55 0.00 0.00 41.25 39.37 2dqi s ASN 39 CO 0.00 -0.14 1.56 0.35 -2.79 0.00 0.00 177.10 176.07 2dqi n THR 40 N 5.06 0.74 1.00 -5.21 -2.24 0.30 -2.64 114.28 111.29 2dqi n THR 40 Ca -0.14 0.19 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 2dqi n THR 40 Cb 0.51 -0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 67.76 2dqi n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dqi n GLN 41 N -1.46 0.25 -1.55 -0.78 3.00 -1.26 -4.11 117.38 111.46 2dqi n GLN 41 Ca 0.05 -0.21 -0.54 0.00 -0.01 0.00 0.00 57.00 56.29 2dqi n GLN 41 Cb 0.19 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.88 2dqi n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dqi n ALA 42 N -1.19 -1.92 -3.64 -1.58 0.00 -1.08 -4.71 120.51 106.39 2dqi n ALA 42 Ca 0.05 0.53 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 2dqi n ALA 42 Cb 0.36 -1.94 -0.13 0.00 0.00 0.00 0.00 19.45 17.74 2dqi n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dqi s THR 43 N 0.15 -0.43 -0.08 0.00 2.01 -1.26 -0.75 115.64 115.28 2dqi s THR 43 Ca 0.84 0.23 -0.01 0.00 0.31 0.00 0.00 61.69 63.06 2dqi s THR 43 Cb -1.04 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 71.01 2dqi s THR 43 CO 0.51 0.08 -0.02 0.20 -0.69 0.00 0.00 174.62 174.70 2dqi s ASN 44 N 2.43 1.74 0.33 3.53 -0.87 -0.80 -4.98 114.94 116.31 2dqi s ASN 44 Ca 0.02 -0.15 -0.27 0.00 -1.57 0.00 0.00 52.86 50.89 2dqi s ASN 44 Cb -0.12 -0.56 -0.09 0.00 -0.02 0.00 0.00 41.25 40.45 2dqi s ASN 44 CO -0.09 -0.16 1.02 -0.13 -2.57 0.00 0.00 177.10 175.16 2dqi s ARG 45 N 1.84 4.50 0.36 -0.60 0.52 -1.26 -0.63 118.95 123.68 2dqi s ARG 45 Ca 0.04 1.52 0.08 0.00 -0.52 0.00 0.00 55.73 56.85 2dqi s ARG 45 Cb -0.12 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 2dqi s ARG 45 CO -0.06 0.16 0.26 -0.80 0.02 0.00 0.00 175.30 174.88 2dqi s ASN 46 N -1.37 5.01 0.32 0.23 0.01 0.34 -4.93 114.94 114.55 2dqi s ASN 46 Ca 0.50 -0.67 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 2dqi s ASN 46 Cb -0.24 -0.78 0.54 0.00 0.41 0.00 0.00 41.25 41.18 2dqi s ASN 46 CO 0.30 -0.42 1.95 0.74 -1.51 0.00 0.00 177.10 178.17 2dqi h THR 47 N 1.30 1.19 0.00 1.60 2.02 -1.97 -2.59 112.91 114.46 2dqi h THR 47 Ca -0.44 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2dqi h THR 47 Cb 1.26 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2dqi h THR 47 CO 0.60 0.21 0.00 -0.90 0.37 0.00 0.00 175.52 175.80 2dqi n ASP 48 N -4.39 0.00 0.00 4.18 5.75 -1.26 -4.83 116.55 116.00 2dqi n ASP 48 Ca 0.06 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 2dqi n ASP 48 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2dqi n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dqi n GLY 49 N 0.43 0.96 3.99 6.12 0.00 -0.97 -4.75 105.19 110.97 2dqi n GLY 49 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2dqi n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqi s SER 50 N -2.95 4.82 -0.02 1.61 1.04 -1.26 -4.51 113.70 112.44 2dqi s SER 50 Ca 0.00 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 2dqi s SER 50 Cb 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2dqi s SER 50 CO 0.00 -1.50 0.06 -0.89 0.98 0.00 0.00 173.24 171.89 2dqi s THR 51 N -2.92 0.02 -0.18 2.02 2.01 -1.26 0.13 115.64 115.45 2dqi s THR 51 Ca 0.62 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.37 2dqi s THR 51 Cb -0.07 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 2dqi s THR 51 CO 0.41 -0.08 0.18 -1.81 -0.69 0.00 0.00 174.62 172.64 2dqi s ASP 52 N -0.21 6.31 -0.04 3.53 1.01 0.20 -1.11 116.67 126.36 2dqi s ASP 52 Ca -0.03 0.35 0.07 0.00 0.71 0.00 0.00 52.55 53.65 2dqi s ASP 52 Cb -0.02 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.78 2dqi s ASP 52 CO 0.00 0.19 -0.25 -0.31 0.21 0.00 0.00 175.17 175.00 2dqi s TYR 53 N 0.20 2.39 0.00 4.23 1.51 0.75 -1.90 117.35 124.53 2dqi s TYR 53 Ca 0.12 -0.60 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2dqi s TYR 53 Cb -0.12 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 2dqi s TYR 53 CO 0.01 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.72 2dqi n GLY 54 N 2.73 -2.47 0.42 0.71 0.00 0.07 -0.95 105.19 105.69 2dqi n GLY 54 Ca -0.17 -1.64 0.23 0.00 0.00 0.00 0.00 46.02 44.45 2dqi n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2dqi h ILE 55 N 0.00 0.66 -0.08 -0.61 6.09 -1.71 -0.71 117.51 121.15 2dqi h ILE 55 Ca 0.00 -0.02 -0.01 0.00 -1.37 0.00 0.00 64.86 63.46 2dqi h ILE 55 Cb 0.00 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 37.88 2dqi h ILE 55 CO 0.00 0.01 -0.05 0.18 -3.07 0.00 0.00 178.15 175.22 2dqi n LEU 56 N -4.35 2.84 -4.11 2.19 4.77 -1.26 -4.18 117.00 112.90 2dqi n LEU 56 Ca 0.14 -3.18 -0.46 0.00 -0.03 0.00 0.00 56.01 52.48 2dqi n LEU 56 Cb 0.76 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2dqi n LEU 56 CO 0.37 0.79 -0.19 0.00 -1.33 0.00 0.00 177.39 177.03 2dqi n GLN 57 N -1.17 -0.26 -2.31 3.23 1.13 -0.27 -4.88 117.38 112.84 2dqi n GLN 57 Ca 0.18 0.06 -0.42 0.00 -1.94 0.00 0.00 57.00 54.88 2dqi n GLN 57 Cb 0.73 -2.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.49 2dqi n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dqi s ILE 58 N -3.60 3.81 0.19 5.09 1.01 -0.13 -4.35 121.20 123.23 2dqi s ILE 58 Ca 0.46 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 62.06 2dqi s ILE 58 Cb -0.26 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 2dqi s ILE 58 CO 0.98 0.05 1.05 0.21 0.00 0.00 0.00 174.94 177.22 2dqi s ASN 59 N 1.43 7.37 0.00 3.58 2.47 -1.26 -0.18 114.94 128.35 2dqi s ASN 59 Ca 0.61 2.04 0.29 0.00 0.42 0.00 0.00 52.86 56.21 2dqi s ASN 59 Cb -0.31 -2.61 1.39 0.00 -1.45 0.00 0.00 41.25 38.27 2dqi s ASN 59 CO 0.27 -0.12 1.97 -1.54 -3.72 0.00 0.00 177.10 173.96 2dqi n SER 60 N 2.15 0.00 -0.02 -4.21 3.41 -0.26 -1.33 113.62 113.36 2dqi n SER 60 Ca 0.01 0.03 -0.11 0.00 -0.26 0.00 0.00 58.87 58.54 2dqi n SER 60 Cb 0.47 -0.34 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 2dqi n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2dqi n ARG 61 N -1.34 0.65 -0.05 4.33 0.63 -1.26 -4.55 116.66 115.07 2dqi n ARG 61 Ca 0.12 0.27 -0.07 0.00 -0.92 0.00 0.00 57.85 57.25 2dqi n ARG 61 Cb 0.25 -1.76 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 2dqi n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2dqi n TRP 62 N -3.09 0.00 -0.13 -0.14 7.02 -1.22 -1.67 117.44 118.21 2dqi n TRP 62 Ca -0.21 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.06 2dqi n TRP 62 Cb 1.06 -0.38 -0.11 0.00 -2.42 0.00 0.00 31.31 29.46 2dqi n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2dqi n TRP 63 N -2.76 0.00 -4.36 -5.99 7.02 -0.44 -0.57 117.44 110.34 2dqi n TRP 63 Ca -0.17 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.12 2dqi n TRP 63 Cb 0.69 -0.94 -0.10 0.00 -2.42 0.00 0.00 31.31 28.54 2dqi n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dqi s ASN 65 N -3.34 5.71 0.00 0.00 2.47 -0.83 -4.25 114.94 114.71 2dqi s ASN 65 Ca 0.23 -0.00 0.08 0.00 0.42 0.00 0.00 52.86 53.59 2dqi s ASN 65 Cb -0.01 -2.02 0.18 0.00 -1.45 0.00 0.00 41.25 37.94 2dqi s ASN 65 CO 0.08 0.05 1.07 -0.90 -3.72 0.00 0.00 177.10 173.67 2dqi n ASP 66 N 4.38 2.39 0.00 -4.21 5.68 -1.26 -1.70 116.55 121.82 2dqi n ASP 66 Ca -0.16 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 2dqi n ASP 66 Cb 0.52 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2dqi n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dqi n GLY 67 N 0.28 0.04 0.10 6.12 0.00 -1.26 -4.71 105.19 105.76 2dqi n GLY 67 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 2dqi n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dqi n ARG 68 N -0.28 1.01 -4.43 1.61 1.85 -1.26 -5.06 116.66 110.10 2dqi n ARG 68 Ca 0.00 -1.13 -0.34 0.00 -1.00 0.00 0.00 57.85 55.38 2dqi n ARG 68 Cb 0.29 -0.76 -0.12 0.00 -1.05 0.00 0.00 32.46 30.82 2dqi n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2dqi s THR 69 N -0.64 3.92 0.25 8.89 2.01 -1.26 -4.93 115.64 123.89 2dqi s THR 69 Ca 0.04 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 2dqi s THR 69 Cb 0.03 -2.69 -0.10 0.00 0.01 0.00 0.00 72.50 69.75 2dqi s THR 69 CO 0.00 0.53 1.45 -2.84 -0.69 0.00 0.00 174.62 173.07 2dqi s PRO 70 N 0.01 4.25 -1.32 4.92 0.02 -1.26 -3.49 135.00 138.13 2dqi s PRO 70 Ca 0.01 2.33 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 2dqi s PRO 70 Cb -0.13 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.30 2dqi s PRO 70 CO 0.03 -0.44 1.11 0.41 -0.33 0.00 0.00 177.00 177.77 2dqi n GLY 71 N 2.21 -0.48 3.74 0.52 0.00 -1.26 -4.89 105.19 105.03 2dqi n GLY 71 Ca 0.07 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2dqi n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dqi s SER 72 N -3.66 6.90 -0.03 1.61 0.15 -1.23 -4.79 113.70 112.66 2dqi s SER 72 Ca 0.40 2.43 0.09 0.00 0.70 0.00 0.00 55.95 59.57 2dqi s SER 72 Cb -0.18 -2.62 -0.13 0.00 -1.71 0.00 0.00 66.02 61.38 2dqi s SER 72 CO 0.74 -0.50 0.17 0.54 1.20 0.00 0.00 173.24 175.38 2dqi n ARG 73 N 2.32 0.70 -4.03 5.44 1.74 -0.67 -5.02 116.66 117.14 2dqi n ARG 73 Ca 0.05 -0.07 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 2dqi n ARG 73 Cb 0.43 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.63 2dqi n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2dqi n ASN 74 N -1.91 -1.41 0.10 0.55 4.05 -1.15 -4.84 115.26 110.65 2dqi n ASN 74 Ca -0.04 -1.13 0.12 0.00 0.45 0.00 0.00 54.58 53.98 2dqi n ASN 74 Cb 0.33 -2.47 0.61 0.00 1.23 0.00 0.00 39.78 39.49 2dqi n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2dqi h LEU 75 N -1.98 0.11 -0.55 1.20 3.38 -0.72 0.13 115.31 116.88 2dqi h LEU 75 Ca -0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2dqi h LEU 75 Cb 1.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2dqi h LEU 75 CO 0.61 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2dqi n ASN 77 N -0.31 -4.31 -3.57 0.00 5.15 0.44 -4.96 115.26 107.71 2dqi n ASN 77 Ca 0.20 -1.25 -0.16 0.00 -0.60 0.00 0.00 54.58 52.77 2dqi n ASN 77 Cb 0.23 -1.75 -0.06 0.00 -0.53 0.00 0.00 39.78 37.67 2dqi n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2dqi s ILE 78 N -3.45 0.00 0.20 -1.44 2.07 -1.26 -5.08 121.20 112.24 2dqi s ILE 78 Ca 0.43 -0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 59.36 2dqi s ILE 78 Cb -0.23 -0.99 -0.09 0.00 0.13 0.00 0.00 42.46 41.28 2dqi s ILE 78 CO 0.96 -0.00 1.25 -2.16 -1.91 0.00 0.00 174.94 173.07 2dqi s PRO 79 N -0.57 4.44 0.41 3.50 0.04 -1.26 -1.96 135.00 139.61 2dqi s PRO 79 Ca -0.07 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.10 2dqi s PRO 79 Cb -0.02 -3.21 1.03 0.00 0.04 0.00 0.00 34.50 32.34 2dqi s PRO 79 CO 0.06 -0.16 1.90 0.00 0.04 0.00 0.00 177.00 178.84 2dqi h SER 81 N 0.45 0.00 0.36 0.00 4.64 -1.91 -0.52 113.55 116.58 2dqi h SER 81 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2dqi h SER 81 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2dqi h SER 81 CO -0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 176.83 175.71 2dqi n ALA 82 N -2.13 2.76 -0.96 5.18 0.00 0.34 -3.75 120.51 121.95 2dqi n ALA 82 Ca -0.03 -0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.19 2dqi n ALA 82 Cb 0.08 -1.33 0.36 0.00 0.00 0.00 0.00 19.45 18.56 2dqi n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dqi n LEU 83 N -0.96 5.55 -0.60 0.00 4.77 -0.20 -4.40 117.00 121.16 2dqi n LEU 83 Ca 0.14 -3.03 0.07 0.00 -0.03 0.00 0.00 56.01 53.17 2dqi n LEU 83 Cb 0.28 -0.68 0.19 0.00 -2.33 0.00 0.00 43.42 40.87 2dqi n LEU 83 CO 0.24 0.69 0.64 0.18 -1.33 0.00 0.00 177.39 177.81 2dqi n LEU 84 N 0.26 3.19 -4.87 2.23 4.77 -1.25 -4.06 117.00 117.27 2dqi n LEU 84 Ca 0.30 -2.65 -0.31 0.00 -0.03 0.00 0.00 56.01 53.32 2dqi n LEU 84 Cb 1.20 -0.39 0.03 0.00 -2.33 0.00 0.00 43.42 41.93 2dqi n LEU 84 CO 0.33 0.68 0.73 -0.55 -1.33 0.00 0.00 177.39 177.24 2dqi s SER 85 N -1.74 5.88 0.44 -1.43 0.15 -1.26 -4.56 113.70 111.18 2dqi s SER 85 Ca 0.31 1.35 0.24 0.00 0.70 0.00 0.00 55.95 58.55 2dqi s SER 85 Cb 0.24 -2.30 0.84 0.00 -1.71 0.00 0.00 66.02 63.08 2dqi s SER 85 CO 0.09 -1.08 1.79 0.28 1.20 0.00 0.00 173.24 175.51 2dqi h SER 86 N -0.47 0.00 -3.36 5.45 0.02 -1.96 -3.41 113.55 109.82 2dqi h SER 86 Ca -0.44 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.92 2dqi h SER 86 Cb 1.21 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2dqi h SER 86 CO 0.62 0.21 0.71 -0.62 -1.14 0.00 0.00 176.83 176.61 2dqi s ASP 87 N -6.16 6.84 0.00 3.07 -1.08 -1.26 -4.92 116.67 113.15 2dqi s ASP 87 Ca 0.01 0.90 0.25 0.00 -0.52 0.00 0.00 52.55 53.19 2dqi s ASP 87 Cb 0.09 -2.50 1.47 0.00 -1.46 0.00 0.00 42.92 40.53 2dqi s ASP 87 CO 0.64 -0.81 1.90 2.30 0.52 0.00 0.00 175.17 179.72 2dqi n ILE 88 N 5.80 0.00 -0.23 4.11 -5.35 -1.26 -4.34 119.36 118.09 2dqi n ILE 88 Ca 0.09 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.51 2dqi n ILE 88 Cb 0.47 -0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 37.90 2dqi n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2dqi h THR 89 N 0.00 0.11 -0.61 7.28 2.02 -1.94 -1.39 112.91 118.38 2dqi h THR 89 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2dqi h THR 89 Cb 0.00 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 2dqi h THR 89 CO 0.00 0.00 0.09 0.00 0.37 0.00 0.00 175.52 175.98 2dqi h ALA 90 N 0.87 1.00 -0.12 6.16 0.00 -1.89 -1.85 119.26 123.42 2dqi h ALA 90 Ca 0.22 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2dqi h ALA 90 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dqi h ALA 90 CO -0.72 0.63 -0.45 0.77 0.00 0.00 0.00 179.25 179.48 2dqi h SER 91 N 0.94 0.31 -0.13 0.00 0.02 -1.75 -2.32 113.55 110.62 2dqi h SER 91 Ca 0.19 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2dqi h SER 91 Cb 0.43 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2dqi h SER 91 CO 0.01 0.72 -0.14 0.58 -1.14 0.00 0.00 176.83 176.86 2dqi h VAL 92 N 0.24 1.35 -0.85 2.27 2.07 -1.07 0.24 116.25 120.50 2dqi h VAL 92 Ca 0.02 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.30 2dqi h VAL 92 Cb 0.89 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 2dqi h VAL 92 CO 0.07 0.38 0.52 0.78 0.02 0.00 0.00 177.57 179.34 2dqi h ASN 93 N -0.06 0.81 -0.02 0.57 2.35 -1.28 -0.37 115.58 117.58 2dqi h ASN 93 Ca 0.02 0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.56 2dqi h ASN 93 Cb 0.67 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.90 2dqi h ASN 93 CO 0.03 0.51 -0.86 0.00 -1.65 0.00 0.00 177.43 175.47 2dqi h ALA 95 N 0.58 1.31 -0.91 0.00 0.00 0.08 -1.17 119.26 119.15 2dqi h ALA 95 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2dqi h ALA 95 Cb 1.49 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2dqi h ALA 95 CO 0.17 0.45 0.53 0.87 0.00 0.00 0.00 179.25 181.26 2dqi h LYS 96 N 1.16 1.26 -0.44 0.00 1.57 -1.04 -1.04 116.57 118.03 2dqi h LYS 96 Ca 0.40 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2dqi h LYS 96 Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2dqi h LYS 96 CO -0.15 0.90 -0.19 -0.22 -0.57 0.00 0.00 179.45 179.21 2dqi h LYS 97 N 1.27 0.91 0.17 3.15 3.64 -1.32 -2.43 116.57 121.96 2dqi h LYS 97 Ca 0.32 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dqi h LYS 97 Cb -0.02 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2dqi h LYS 97 CO -0.06 1.04 -0.16 0.82 -2.27 0.00 0.00 179.45 178.82 2dqi h ILE 98 N 0.74 0.64 0.00 2.00 2.04 -0.73 -2.44 117.51 119.77 2dqi h ILE 98 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2dqi h ILE 98 Cb 0.76 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2dqi h ILE 98 CO 0.06 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.76 2dqi n VAL 99 N -5.29 0.98 1.77 1.67 3.14 -0.44 -2.27 118.33 117.89 2dqi n VAL 99 Ca -0.08 0.25 0.15 0.00 -2.96 0.00 0.00 64.34 61.71 2dqi n VAL 99 Cb 0.20 -1.05 0.78 0.00 -1.06 0.00 0.00 33.84 32.71 2dqi n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2dqi n SER 100 N -1.68 0.46 -4.91 6.55 7.64 -0.92 -4.05 113.62 116.71 2dqi n SER 100 Ca 0.03 -1.04 -0.27 0.00 1.01 0.00 0.00 58.87 58.60 2dqi n SER 100 Cb 0.18 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 2dqi n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqi s ASP 101 N -2.08 6.00 0.63 6.43 2.15 -0.96 -4.95 116.67 123.89 2dqi s ASP 101 Ca 0.42 0.86 0.41 0.00 0.43 0.00 0.00 52.55 54.68 2dqi s ASP 101 Cb 0.21 -2.04 2.26 0.00 -0.30 0.00 0.00 42.92 43.05 2dqi s ASP 101 CO 0.38 -0.78 2.27 1.23 -0.17 0.00 0.00 175.17 178.10 2dqi h GLY 102 N 0.05 0.00 2.00 2.66 0.00 -1.88 -1.76 103.07 104.14 2dqi h GLY 102 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2dqi h GLY 102 CO 0.61 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.85 2dqi n ASN 103 N -2.98 0.15 0.00 0.19 3.02 -1.26 -4.98 115.26 109.40 2dqi n ASN 103 Ca -0.03 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 2dqi n ASN 103 Cb 0.09 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 2dqi n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dqi n GLY 104 N 0.84 2.32 0.00 7.41 0.00 -0.66 -1.76 105.19 113.33 2dqi n GLY 104 Ca 0.05 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.86 2dqi n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dqi n MET 105 N 13.52 0.85 0.02 1.61 2.81 -1.26 -3.22 117.12 131.44 2dqi n MET 105 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 2dqi n MET 105 Cb 0.00 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.23 2dqi n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2dqi n ASN 106 N -1.00 0.08 0.26 7.83 3.02 -0.72 -1.13 115.26 123.59 2dqi n ASN 106 Ca 0.20 0.53 0.13 0.00 -0.03 0.00 0.00 54.58 55.41 2dqi n ASN 106 Cb 0.09 -0.54 0.68 0.00 -0.61 0.00 0.00 39.78 39.40 2dqi n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dqi h ALA 107 N 2.26 1.16 -2.03 5.41 0.00 -1.71 -3.37 119.26 120.97 2dqi h ALA 107 Ca 0.00 -0.12 -0.73 0.00 0.00 0.00 0.00 54.91 54.06 2dqi h ALA 107 Cb 0.15 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.70 2dqi h ALA 107 CO 0.00 0.16 -0.07 -1.58 0.00 0.00 0.00 179.25 177.76 2dqi s TRP 108 N -3.98 3.13 0.16 0.00 0.51 -0.29 -4.95 118.94 113.51 2dqi s TRP 108 Ca -0.02 -1.06 -0.18 0.00 -2.12 0.00 0.00 56.10 52.73 2dqi s TRP 108 Cb 0.12 -3.81 0.06 0.00 -0.81 0.00 0.00 33.47 29.03 2dqi s TRP 108 CO 0.58 -1.11 1.69 0.28 -0.51 0.00 0.00 176.95 177.88 2dqi h VAL 109 N 5.89 0.68 -0.88 4.03 2.07 -1.84 -0.74 116.25 125.46 2dqi h VAL 109 Ca -0.29 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2dqi h VAL 109 Cb 1.10 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2dqi h VAL 109 CO 1.04 0.01 0.55 0.00 0.02 0.00 0.00 177.57 179.19 2dqi h ALA 110 N 1.33 1.12 -0.49 1.67 0.00 -1.92 0.93 119.26 121.89 2dqi h ALA 110 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2dqi h ALA 110 Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2dqi h ALA 110 CO -0.33 0.57 0.28 2.35 0.00 0.00 0.00 179.25 182.12 2dqi h TRP 111 N 1.21 0.67 -0.83 0.00 7.01 -1.73 0.51 115.95 122.79 2dqi h TRP 111 Ca 0.32 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 2dqi h TRP 111 Cb -0.07 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.73 2dqi h TRP 111 CO -0.00 0.48 0.43 -0.09 -2.79 0.00 0.00 178.44 176.47 2dqi h ARG 112 N 0.65 1.17 0.09 2.65 2.43 -0.25 0.50 114.38 121.61 2dqi h ARG 112 Ca 0.17 -0.15 -0.27 0.00 -0.81 0.00 0.00 59.98 58.93 2dqi h ARG 112 Cb 0.03 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2dqi h ARG 112 CO -0.03 0.88 -1.28 -0.91 -1.51 0.00 0.00 179.97 177.12 2dqi h ASN 113 N 1.17 0.28 0.00 -3.80 -0.26 -0.39 -3.37 115.58 109.21 2dqi h ASN 113 Ca 0.29 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 2dqi h ASN 113 Cb 0.07 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2dqi h ASN 113 CO -0.04 1.27 -0.54 0.54 -1.06 0.00 0.00 177.43 177.59 2dqi n ARG 114 N -3.44 3.76 -0.03 0.81 5.12 0.18 -4.86 116.66 118.19 2dqi n ARG 114 Ca -0.09 -0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.77 2dqi n ARG 114 Cb 1.01 -0.89 -0.02 0.00 -1.16 0.00 0.00 32.46 31.40 2dqi n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dqi n LYS 116 N -3.05 2.35 0.00 0.00 4.81 -0.06 -0.91 118.16 121.29 2dqi n LYS 116 Ca -0.10 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2dqi n LYS 116 Cb 0.58 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.93 2dqi n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dqi n GLY 117 N 4.11 1.07 4.02 3.14 0.00 -1.26 -4.91 105.19 111.34 2dqi n GLY 117 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2dqi n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dqi s THR 118 N -2.26 2.63 -1.34 2.61 -4.23 -0.09 -4.99 115.64 107.97 2dqi s THR 118 Ca 0.00 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.38 2dqi s THR 118 Cb 0.00 -2.67 0.04 0.00 1.34 0.00 0.00 72.50 71.21 2dqi s THR 118 CO 0.00 0.00 1.98 -0.67 -0.54 0.00 0.00 174.62 175.39 2dqi n ASP 119 N -2.07 4.22 0.13 3.99 2.03 -1.26 -4.76 116.55 118.83 2dqi n ASP 119 Ca 0.11 -2.86 0.16 0.00 0.52 0.00 0.00 54.79 52.72 2dqi n ASP 119 Cb 0.60 -1.67 0.72 0.00 -0.72 0.00 0.00 41.12 40.05 2dqi n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2dqi h VAL 120 N 4.82 0.72 -0.23 5.18 -1.51 -1.90 -1.06 116.25 122.26 2dqi h VAL 120 Ca 0.49 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 66.03 2dqi h VAL 120 Cb 0.76 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2dqi h VAL 120 CO 1.67 0.00 0.20 -0.61 -1.23 0.00 0.00 177.57 177.60 2dqi h GLN 121 N 0.00 0.00 -0.24 5.19 5.75 -1.87 -0.88 115.11 123.06 2dqi h GLN 121 Ca 0.14 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.71 2dqi h GLN 121 Cb 0.59 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2dqi h GLN 121 CO -0.00 0.00 0.19 0.00 -2.65 0.00 0.00 178.83 176.37 2dqi h ALA 122 N 1.82 2.10 0.00 3.38 0.00 -1.58 -1.70 119.26 123.29 2dqi h ALA 122 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dqi h ALA 122 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2dqi h ALA 122 CO -0.00 -0.32 0.00 0.91 0.00 0.00 0.00 179.25 179.84 2dqi n TRP 123 N -4.24 0.24 0.06 0.00 7.02 -0.33 -2.70 117.44 117.48 2dqi n TRP 123 Ca 0.03 0.09 0.01 0.00 -1.02 0.00 0.00 57.50 56.61 2dqi n TRP 123 Cb 0.34 -0.65 0.01 0.00 -2.42 0.00 0.00 31.31 28.59 2dqi n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2dqi n ILE 124 N -1.72 0.00 -2.52 -0.99 -5.35 -0.65 -4.79 119.36 103.34 2dqi n ILE 124 Ca 0.03 -0.50 -0.35 0.00 -0.27 0.00 0.00 62.75 61.66 2dqi n ILE 124 Cb 0.20 1.03 -0.04 0.00 -1.74 0.00 0.00 39.64 39.10 2dqi n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2dqi s ARG 125 N -0.17 3.97 -0.70 6.28 3.52 -1.10 -3.44 118.95 127.32 2dqi s ARG 125 Ca 0.02 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2dqi s ARG 125 Cb 0.01 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 2dqi s ARG 125 CO 0.02 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 2dqi n GLY 126 N 0.08 0.57 3.27 8.12 0.00 -1.26 -5.03 105.19 110.95 2dqi n GLY 126 Ca 0.07 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2dqi n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqi s ARG 128 N -1.52 4.09 0.00 0.00 1.81 -1.26 -5.13 118.95 116.93 2dqi s ARG 128 Ca 0.07 0.72 0.00 0.00 -1.72 0.00 0.00 55.73 54.80 2dqi s ARG 128 Cb -0.09 -3.67 0.00 0.00 -0.45 0.00 0.00 34.95 30.73 2dqi s ARG 128 CO 0.03 -0.55 0.17 1.28 -0.68 0.00 0.00 175.30 175.56