#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqe s VAL 2 N 0.00 3.69 0.50 3.15 1.01 -1.26 -0.70 120.40 126.79 2dqe s VAL 2 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 2dqe s VAL 2 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 2dqe s VAL 2 CO 0.00 0.09 1.02 -0.36 0.00 0.00 0.00 175.10 175.84 2dqe s PHE 3 N 1.45 3.14 0.49 5.22 0.40 -0.26 -5.00 117.98 123.42 2dqe s PHE 3 Ca 0.02 1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 57.83 2dqe s PHE 3 Cb -0.17 -2.96 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2dqe s PHE 3 CO 0.01 -0.67 0.82 0.20 0.70 0.00 0.00 175.22 176.28 2dqe s GLY 4 N -2.41 1.55 0.11 4.36 0.00 -1.26 -4.83 107.32 104.84 2dqe s GLY 4 Ca 0.64 -0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.68 2dqe s GLY 4 CO 0.24 -0.25 1.67 -0.09 0.00 0.00 0.00 173.10 174.68 2dqe h ARG 5 N 0.23 -0.32 -0.20 2.90 2.43 -1.97 -1.12 114.38 116.33 2dqe h ARG 5 Ca -0.47 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.61 2dqe h ARG 5 Cb 1.20 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2dqe h ARG 5 CO 0.62 -0.21 -0.37 0.00 -1.51 0.00 0.00 179.97 178.50 2dqe h GLU 7 N 0.38 0.74 -0.29 0.00 4.81 -1.87 -1.42 114.58 116.93 2dqe h GLU 7 Ca 0.04 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 2dqe h GLU 7 Cb 0.82 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 2dqe h GLU 7 CO 0.07 0.49 -0.52 1.25 -0.73 0.00 0.00 179.01 179.56 2dqe h LEU 8 N 0.76 0.94 -0.52 1.64 5.85 -1.04 -2.18 115.31 120.77 2dqe h LEU 8 Ca 0.25 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2dqe h LEU 8 Cb 0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 2dqe h LEU 8 CO -0.09 1.28 0.27 0.00 -0.34 0.00 0.00 178.44 179.56 2dqe h ALA 9 N 0.74 0.66 -0.61 1.25 0.00 -0.98 0.27 119.26 120.59 2dqe h ALA 9 Ca 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2dqe h ALA 9 Cb 1.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2dqe h ALA 9 CO 0.12 -0.08 0.16 0.00 0.00 0.00 0.00 179.25 179.45 2dqe h ALA 10 N 1.28 0.80 -0.32 0.00 0.00 -1.21 -1.29 119.26 118.52 2dqe h ALA 10 Ca 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2dqe h ALA 10 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2dqe h ALA 10 CO -0.16 0.49 0.10 0.00 0.00 0.00 0.00 179.25 179.69 2dqe h ALA 11 N 1.05 0.43 -0.09 0.00 0.00 -0.72 -1.50 119.26 118.43 2dqe h ALA 11 Ca 0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2dqe h ALA 11 Cb 0.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2dqe h ALA 11 CO -0.00 0.07 -0.21 0.52 0.00 0.00 0.00 179.25 179.62 2dqe h MET 12 N 0.37 0.14 -0.40 0.00 2.86 -0.34 0.65 114.93 118.22 2dqe h MET 12 Ca 0.10 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 2dqe h MET 12 Cb 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2dqe h MET 12 CO -0.00 0.36 -0.32 -0.22 1.06 0.00 0.00 176.91 177.79 2dqe h LYS 13 N 0.13 0.90 -0.13 1.72 3.64 -0.96 -0.13 116.57 121.73 2dqe h LYS 13 Ca 0.02 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.89 2dqe h LYS 13 Cb 0.46 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2dqe h LYS 13 CO 0.03 1.08 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.91 2dqe h ARG 14 N 0.75 0.25 -0.77 1.90 2.43 -0.50 -2.26 114.38 116.18 2dqe h ARG 14 Ca 0.08 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2dqe h ARG 14 Cb 0.89 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2dqe h ARG 14 CO 0.08 0.53 0.00 0.72 -1.51 0.00 0.00 179.97 179.79 2dqe n HIS 15 N -4.12 0.88 -2.83 2.20 8.25 0.15 -4.92 115.22 114.83 2dqe n HIS 15 Ca -0.01 -0.31 -0.16 0.00 -0.26 0.00 0.00 57.72 56.98 2dqe n HIS 15 Cb 0.39 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 31.27 2dqe n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dqe n GLY 16 N 0.34 -0.18 1.30 -1.41 0.00 -0.85 -4.93 105.19 99.46 2dqe n GLY 16 Ca 0.12 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2dqe n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dqe n LEU 17 N -3.02 3.93 -4.47 0.99 4.77 -0.10 -4.52 117.00 114.58 2dqe n LEU 17 Ca -0.08 -2.05 -0.43 0.00 -0.03 0.00 0.00 56.01 53.43 2dqe n LEU 17 Cb 0.59 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2dqe n LEU 17 CO 0.35 0.95 0.79 -0.62 -1.33 0.00 0.00 177.39 177.52 2dqe s ASP 18 N -1.00 6.20 -0.31 -1.43 -1.08 -1.26 -3.75 116.67 114.04 2dqe s ASP 18 Ca 0.47 -0.84 -0.01 0.00 -0.52 0.00 0.00 52.55 51.64 2dqe s ASP 18 Cb 0.25 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 2dqe s ASP 18 CO 0.31 -1.44 0.18 -3.20 0.52 0.00 0.00 175.17 171.53 2dqe n ASN 19 N 7.81 -2.66 -4.67 -0.34 5.15 -0.80 -4.88 115.26 114.87 2dqe n ASN 19 Ca -0.02 -0.08 -0.42 0.00 -0.60 0.00 0.00 54.58 53.45 2dqe n ASN 19 Cb 0.46 -1.44 -0.03 0.00 -0.53 0.00 0.00 39.78 38.24 2dqe n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2dqe s TYR 20 N -2.83 3.42 -1.53 1.20 5.04 -1.04 -3.99 117.35 117.63 2dqe s TYR 20 Ca 0.09 1.41 -0.04 0.00 -2.44 0.00 0.00 57.07 56.08 2dqe s TYR 20 Cb -0.04 -3.13 0.04 0.00 0.35 0.00 0.00 41.96 39.18 2dqe s TYR 20 CO 0.11 -0.30 0.33 0.54 -1.34 0.00 0.00 175.55 174.89 2dqe n ARG 21 N 5.46 -2.30 -0.99 4.97 5.12 -1.26 -1.61 116.66 126.05 2dqe n ARG 21 Ca 0.08 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 2dqe n ARG 21 Cb 0.48 -4.29 0.00 0.00 -1.16 0.00 0.00 32.46 27.49 2dqe n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dqe n GLY 22 N -2.06 0.56 3.32 -0.13 0.00 -1.26 -5.02 105.19 100.60 2dqe n GLY 22 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2dqe n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dqe s TYR 23 N -2.32 3.06 0.67 1.61 2.02 -0.63 -5.02 117.35 116.75 2dqe s TYR 23 Ca 0.00 -1.01 -0.15 0.00 -0.37 0.00 0.00 57.07 55.54 2dqe s TYR 23 Cb 0.00 -2.17 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2dqe s TYR 23 CO 0.00 -0.57 1.14 -1.54 -1.57 0.00 0.00 175.55 173.01 2dqe s SER 24 N 1.47 4.86 0.29 2.29 1.04 -1.26 -1.91 113.70 120.48 2dqe s SER 24 Ca 0.04 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.62 2dqe s SER 24 Cb -0.16 -2.57 0.71 0.00 0.10 0.00 0.00 66.02 64.11 2dqe s SER 24 CO -0.01 -1.80 1.70 0.25 0.98 0.00 0.00 173.24 174.36 2dqe h LEU 25 N 0.01 0.33 -1.77 2.42 5.85 -1.90 -1.31 115.31 118.94 2dqe h LEU 25 Ca -0.47 0.15 0.20 0.00 0.84 0.00 0.00 57.88 58.60 2dqe h LEU 25 Cb 1.26 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 2dqe h LEU 25 CO 0.53 0.00 0.55 1.23 -0.34 0.00 0.00 178.44 180.42 2dqe h GLY 26 N 0.40 0.41 0.87 3.75 0.00 -1.90 -1.21 103.07 105.39 2dqe h GLY 26 Ca 0.55 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.82 2dqe h GLY 26 CO -0.52 0.01 0.33 3.43 0.00 0.00 0.00 176.54 179.79 2dqe h ASN 27 N 0.20 0.54 -0.15 0.19 2.35 -1.45 -1.11 115.58 116.15 2dqe h ASN 27 Ca 0.40 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.96 2dqe h ASN 27 Cb 1.25 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2dqe h ASN 27 CO -0.08 0.38 -0.61 -0.50 -1.65 0.00 0.00 177.43 174.97 2dqe h TRP 28 N 0.66 0.97 -0.31 1.19 4.06 -1.36 -0.88 115.95 120.28 2dqe h TRP 28 Ca 0.22 -0.37 -0.05 0.00 2.06 0.00 0.00 58.89 60.76 2dqe h TRP 28 Cb 0.02 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.00 2dqe h TRP 28 CO -0.06 1.18 0.01 0.28 -3.56 0.00 0.00 178.44 176.29 2dqe h VAL 29 N 0.57 1.25 -0.57 1.49 2.07 -1.39 -1.42 116.25 118.25 2dqe h VAL 29 Ca -0.00 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2dqe h VAL 29 Cb 1.21 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 2dqe h VAL 29 CO 0.13 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.30 2dqe h ALA 31 N 1.12 0.42 -0.89 0.00 0.00 -1.00 -2.08 119.26 116.84 2dqe h ALA 31 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2dqe h ALA 31 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2dqe h ALA 31 CO -0.03 -0.15 0.47 0.00 0.00 0.00 0.00 179.25 179.54 2dqe h ALA 32 N 1.14 1.15 -0.11 0.00 0.00 -1.02 0.14 119.26 120.57 2dqe h ALA 32 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dqe h ALA 32 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2dqe h ALA 32 CO -0.05 0.67 -0.01 -0.22 0.00 0.00 0.00 179.25 179.63 2dqe h LYS 33 N 1.25 0.02 0.00 0.00 1.63 -0.72 -1.02 116.57 117.73 2dqe h LYS 33 Ca 0.31 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2dqe h LYS 33 Cb 0.05 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2dqe h LYS 33 CO -0.05 0.01 -0.50 0.74 -3.45 0.00 0.00 179.45 176.21 2dqe h PHE 34 N 0.02 0.00 0.14 1.91 0.04 -1.20 -0.08 116.94 117.77 2dqe h PHE 34 Ca 0.05 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.54 2dqe h PHE 34 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 2dqe h PHE 34 CO -0.15 0.00 -1.42 0.93 -0.60 0.00 0.00 178.31 177.07 2dqe h GLU 35 N 0.00 0.30 0.00 1.51 4.39 -0.65 -3.43 114.58 116.70 2dqe h GLU 35 Ca 0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2dqe h GLU 35 Cb 0.86 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2dqe h GLU 35 CO 0.00 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 2dqe n SER 36 N -3.86 0.23 -3.28 1.42 3.41 -0.47 -4.80 113.62 106.26 2dqe n SER 36 Ca -0.23 -0.87 -0.22 0.00 -0.26 0.00 0.00 58.87 57.30 2dqe n SER 36 Cb 0.94 0.04 0.07 0.00 -0.26 0.00 0.00 64.21 65.00 2dqe n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dqe n ASN 37 N -0.04 -5.97 -0.77 4.04 5.15 -0.04 -2.37 115.26 115.25 2dqe n ASN 37 Ca 0.00 -0.48 -0.10 0.00 -0.60 0.00 0.00 54.58 53.40 2dqe n ASN 37 Cb 0.15 -4.58 -0.04 0.00 -0.53 0.00 0.00 39.78 34.78 2dqe n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2dqe n PHE 38 N -4.76 0.00 -3.32 1.20 3.72 -1.12 -4.83 117.46 108.35 2dqe n PHE 38 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2dqe n PHE 38 Cb 0.55 -2.36 -0.09 0.00 -0.94 0.00 0.00 39.48 36.65 2dqe n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2dqe s ASN 39 N -2.50 6.23 0.56 4.37 2.47 -1.00 -1.11 114.94 123.97 2dqe s ASN 39 Ca 0.00 -0.23 0.34 0.00 0.42 0.00 0.00 52.86 53.39 2dqe s ASN 39 Cb 0.00 -2.23 1.54 0.00 -1.45 0.00 0.00 41.25 39.11 2dqe s ASN 39 CO 0.00 -0.44 2.06 0.71 -3.72 0.00 0.00 177.10 175.71 2dqe h THR 40 N 5.61 0.14 -0.19 -5.21 1.35 -1.25 -2.85 112.91 110.52 2dqe h THR 40 Ca -0.28 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2dqe h THR 40 Cb 1.13 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2dqe h THR 40 CO 0.74 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.05 2dqe n GLN 41 N -3.20 2.18 -1.83 4.72 1.13 -1.26 -3.91 117.38 115.21 2dqe n GLN 41 Ca -0.00 -1.75 -0.41 0.00 -1.94 0.00 0.00 57.00 52.89 2dqe n GLN 41 Cb 0.26 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.14 2dqe n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dqe s ALA 42 N -1.78 3.60 0.00 -1.58 0.00 -1.08 -4.79 121.76 116.14 2dqe s ALA 42 Ca 0.34 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.77 2dqe s ALA 42 Cb 0.21 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2dqe s ALA 42 CO 0.30 -1.00 0.13 0.95 0.00 0.00 0.00 175.76 176.14 2dqe s THR 43 N -0.87 0.08 -0.16 0.00 -4.23 -1.26 -0.99 115.64 108.21 2dqe s THR 43 Ca 0.55 -0.70 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 2dqe s THR 43 Cb -0.46 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.03 2dqe s THR 43 CO 0.59 -0.38 0.26 0.21 -0.54 0.00 0.00 174.62 174.75 2dqe s ASN 44 N -1.39 0.65 0.08 3.99 2.47 -0.72 -4.96 114.94 115.06 2dqe s ASN 44 Ca -0.15 0.31 -0.30 0.00 0.42 0.00 0.00 52.86 53.14 2dqe s ASN 44 Cb -0.08 0.64 -0.06 0.00 -1.45 0.00 0.00 41.25 40.31 2dqe s ASN 44 CO 0.01 -0.27 1.10 -0.60 -3.72 0.00 0.00 177.10 173.63 2dqe s ARG 45 N 2.40 4.52 0.35 0.43 3.52 -1.26 -1.13 118.95 127.78 2dqe s ARG 45 Ca 0.04 1.65 0.07 0.00 -0.13 0.00 0.00 55.73 57.36 2dqe s ARG 45 Cb -0.13 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2dqe s ARG 45 CO -0.10 -0.09 0.45 -0.80 -0.81 0.00 0.00 175.30 173.95 2dqe s ASN 46 N 0.66 5.79 0.38 -2.12 0.01 0.17 -4.98 114.94 114.85 2dqe s ASN 46 Ca 0.54 -0.29 0.09 0.00 -0.71 0.00 0.00 52.86 52.50 2dqe s ASN 46 Cb -0.27 -1.09 0.75 0.00 0.41 0.00 0.00 41.25 41.05 2dqe s ASN 46 CO 0.30 -0.47 1.89 0.71 -1.51 0.00 0.00 177.10 178.02 2dqe h THR 47 N 0.92 1.20 0.00 1.60 1.35 -1.97 -2.54 112.91 113.47 2dqe h THR 47 Ca -0.45 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 2dqe h THR 47 Cb 1.26 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2dqe h THR 47 CO 0.53 0.27 0.00 -0.90 -0.25 0.00 0.00 175.52 175.17 2dqe n ASP 48 N -4.24 0.05 0.00 5.36 5.75 -1.26 -4.82 116.55 117.40 2dqe n ASP 48 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2dqe n ASP 48 Cb 0.30 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 2dqe n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dqe n GLY 49 N 0.39 1.73 3.91 6.12 0.00 -0.96 -4.71 105.19 111.67 2dqe n GLY 49 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2dqe n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqe s SER 50 N -3.27 5.63 0.03 1.61 1.04 -1.26 -4.52 113.70 112.96 2dqe s SER 50 Ca 0.00 0.87 0.03 0.00 0.48 0.00 0.00 55.95 57.33 2dqe s SER 50 Cb 0.00 -1.83 -0.02 0.00 0.10 0.00 0.00 66.02 64.27 2dqe s SER 50 CO 0.00 -1.09 -0.09 -0.89 0.98 0.00 0.00 173.24 172.15 2dqe s THR 51 N -3.07 0.71 -0.19 2.02 2.01 -1.26 0.42 115.64 116.27 2dqe s THR 51 Ca 0.55 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 2dqe s THR 51 Cb -0.11 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 2dqe s THR 51 CO 0.47 -0.13 0.12 -1.81 -0.69 0.00 0.00 174.62 172.59 2dqe s ASP 52 N -1.07 6.17 -0.01 3.53 1.01 -0.28 -0.55 116.67 125.45 2dqe s ASP 52 Ca -0.03 0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.54 2dqe s ASP 52 Cb -0.07 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 2dqe s ASP 52 CO 0.01 0.20 -0.26 -0.31 0.21 0.00 0.00 175.17 175.02 2dqe s TYR 53 N 0.26 2.34 0.00 4.23 1.51 0.56 -1.76 117.35 124.49 2dqe s TYR 53 Ca 0.08 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 2dqe s TYR 53 Cb -0.11 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2dqe s TYR 53 CO -0.01 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.82 2dqe n GLY 54 N 2.36 -2.17 0.33 0.71 0.00 -0.16 -0.94 105.19 105.32 2dqe n GLY 54 Ca -0.16 -1.47 0.16 0.00 0.00 0.00 0.00 46.02 44.55 2dqe n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2dqe h ILE 55 N -0.01 0.55 -0.18 -0.61 2.10 -1.67 -0.95 117.51 116.73 2dqe h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2dqe h ILE 55 Cb 0.01 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 2dqe h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 2dqe n LEU 56 N -3.93 3.25 -3.90 2.19 4.77 -1.26 -4.04 117.00 114.08 2dqe n LEU 56 Ca 0.02 -2.89 -0.34 0.00 -0.03 0.00 0.00 56.01 52.76 2dqe n LEU 56 Cb 0.31 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2dqe n LEU 56 CO 0.29 0.68 -0.17 0.00 -1.33 0.00 0.00 177.39 176.86 2dqe n GLN 57 N -0.69 -0.66 -2.75 3.23 1.13 -0.36 -4.88 117.38 112.40 2dqe n GLN 57 Ca 0.18 0.19 -0.42 0.00 -1.94 0.00 0.00 57.00 55.01 2dqe n GLN 57 Cb 0.74 -1.91 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 2dqe n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dqe s ILE 58 N -3.44 4.88 0.19 5.09 1.01 -0.12 -4.43 121.20 124.38 2dqe s ILE 58 Ca 0.28 1.98 -0.30 0.00 0.00 0.00 0.00 60.65 62.61 2dqe s ILE 58 Cb -0.16 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 37.95 2dqe s ILE 58 CO 0.81 0.15 1.06 0.21 0.00 0.00 0.00 174.94 177.17 2dqe s ASN 59 N 1.00 7.35 0.00 3.58 2.47 -1.26 -0.32 114.94 127.76 2dqe s ASN 59 Ca 0.50 2.05 0.23 0.00 0.42 0.00 0.00 52.86 56.05 2dqe s ASN 59 Cb -0.20 -2.61 1.07 0.00 -1.45 0.00 0.00 41.25 38.06 2dqe s ASN 59 CO 0.25 -0.13 1.75 -1.54 -3.72 0.00 0.00 177.10 173.71 2dqe n SER 60 N 2.17 0.00 0.13 -4.21 3.41 0.28 -1.85 113.62 113.55 2dqe n SER 60 Ca 0.01 0.26 -0.24 0.00 -0.26 0.00 0.00 58.87 58.64 2dqe n SER 60 Cb 0.47 -0.41 -0.16 0.00 -0.26 0.00 0.00 64.21 63.85 2dqe n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dqe h ARG 61 N 0.00 0.51 0.00 4.33 2.43 -1.83 -3.41 114.38 116.41 2dqe h ARG 61 Ca 0.00 -0.87 -0.17 0.00 -0.81 0.00 0.00 59.98 58.13 2dqe h ARG 61 Cb 0.32 0.33 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2dqe h ARG 61 CO 0.00 1.42 -1.63 0.91 -1.51 0.00 0.00 179.97 179.16 2dqe n TRP 62 N -3.77 0.00 -0.13 2.20 7.02 -1.23 -1.32 117.44 120.21 2dqe n TRP 62 Ca -0.17 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.09 2dqe n TRP 62 Cb 1.07 -0.44 -0.11 0.00 -2.42 0.00 0.00 31.31 29.40 2dqe n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2dqe n TRP 63 N -2.44 0.05 -4.34 -5.99 7.02 -0.77 0.06 117.44 111.03 2dqe n TRP 63 Ca -0.16 0.01 -0.18 0.00 -1.02 0.00 0.00 57.50 56.15 2dqe n TRP 63 Cb 0.78 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.56 2dqe n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dqe s ASN 65 N -3.30 5.44 0.00 0.00 2.47 -0.56 -4.44 114.94 114.55 2dqe s ASN 65 Ca 0.22 -0.56 0.13 0.00 0.42 0.00 0.00 52.86 53.07 2dqe s ASN 65 Cb -0.00 -1.97 0.28 0.00 -1.45 0.00 0.00 41.25 38.10 2dqe s ASN 65 CO 0.06 -0.19 1.17 -0.90 -3.72 0.00 0.00 177.10 173.53 2dqe n ASP 66 N 4.95 2.76 -0.73 -4.21 5.75 -1.26 -1.74 116.55 122.08 2dqe n ASP 66 Ca -0.14 -1.85 -0.09 0.00 -0.01 0.00 0.00 54.79 52.69 2dqe n ASP 66 Cb 0.49 -0.18 -0.04 0.00 -1.03 0.00 0.00 41.12 40.35 2dqe n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dqe n GLY 67 N 0.70 0.94 0.07 6.12 0.00 -1.26 -4.78 105.19 106.97 2dqe n GLY 67 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.10 2dqe n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dqe n ARG 68 N -0.84 1.00 -4.30 1.61 1.74 -1.26 -5.05 116.66 109.55 2dqe n ARG 68 Ca -0.09 -1.02 -0.34 0.00 -0.77 0.00 0.00 57.85 55.63 2dqe n ARG 68 Cb 0.55 -0.72 -0.15 0.00 -1.02 0.00 0.00 32.46 31.12 2dqe n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dqe s THR 69 N -0.51 2.94 0.00 0.55 2.01 -1.26 -4.85 115.64 114.52 2dqe s THR 69 Ca 0.02 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2dqe s THR 69 Cb 0.02 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.25 2dqe s THR 69 CO 0.00 0.49 0.00 -2.65 -0.69 0.00 0.00 174.62 171.77 2dqe n PRO 70 N 4.27 0.00 -0.78 4.92 -0.02 -1.26 -2.81 135.00 139.31 2dqe n PRO 70 Ca -0.19 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.22 2dqe n PRO 70 Cb 0.51 -0.07 -0.07 0.00 -0.02 0.00 0.00 33.50 33.86 2dqe n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dqe n GLY 71 N 0.00 2.93 3.63 -1.23 0.00 -1.26 -4.95 105.19 104.30 2dqe n GLY 71 Ca 0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2dqe n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dqe n SER 72 N 1.76 1.38 0.00 1.61 2.88 -1.12 -4.85 113.62 115.27 2dqe n SER 72 Ca 0.22 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2dqe n SER 72 Cb 0.67 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2dqe n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dqe n ARG 73 N -0.07 1.79 -3.92 -1.46 1.74 -0.44 -5.00 116.66 109.30 2dqe n ARG 73 Ca 0.10 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.84 2dqe n ARG 73 Cb 0.41 -0.84 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2dqe n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2dqe n ASN 74 N -1.24 -2.96 0.28 0.55 4.05 -1.17 -4.85 115.26 109.92 2dqe n ASN 74 Ca 0.00 -1.11 0.13 0.00 0.45 0.00 0.00 54.58 54.04 2dqe n ASN 74 Cb 0.00 -2.67 0.80 0.00 1.23 0.00 0.00 39.78 39.14 2dqe n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2dqe h LEU 75 N -2.06 0.00 -1.07 1.20 3.38 -0.31 -1.14 115.31 115.31 2dqe h LEU 75 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2dqe h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2dqe h LEU 75 CO 0.55 0.05 0.00 0.00 0.09 0.00 0.00 178.44 179.14 2dqe n ASN 77 N 0.29 -2.85 -3.65 0.00 3.02 -0.43 -4.96 115.26 106.68 2dqe n ASN 77 Ca 0.18 -1.16 -0.15 0.00 -0.03 0.00 0.00 54.58 53.42 2dqe n ASN 77 Cb 0.37 -2.41 -0.08 0.00 -0.61 0.00 0.00 39.78 37.06 2dqe n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2dqe s ILE 78 N -3.74 0.03 0.20 2.41 1.10 -1.26 -5.08 121.20 114.85 2dqe s ILE 78 Ca 0.31 -0.21 -0.30 0.00 -0.51 0.00 0.00 60.65 59.94 2dqe s ILE 78 Cb -0.14 -0.80 -0.08 0.00 0.15 0.00 0.00 42.46 41.59 2dqe s ILE 78 CO 0.93 -0.11 0.99 -2.16 -2.11 0.00 0.00 174.94 172.48 2dqe s PRO 79 N -1.06 4.74 0.54 3.50 0.04 -1.26 -1.49 135.00 140.00 2dqe s PRO 79 Ca -0.11 1.55 0.26 0.00 0.04 0.00 0.00 61.00 62.75 2dqe s PRO 79 Cb -0.03 -3.30 1.43 0.00 0.04 0.00 0.00 34.50 32.64 2dqe s PRO 79 CO 0.06 0.32 1.98 0.00 0.04 0.00 0.00 177.00 179.40 2dqe h SER 81 N 0.00 0.53 0.24 0.00 4.64 -1.92 0.44 113.55 117.49 2dqe h SER 81 Ca 0.26 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2dqe h SER 81 Cb 1.08 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2dqe h SER 81 CO -0.00 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 2dqe h ALA 82 N 1.67 1.00 -0.02 5.18 0.00 -1.45 -0.06 119.26 125.59 2dqe h ALA 82 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2dqe h ALA 82 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dqe h ALA 82 CO -0.07 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.42 2dqe n LEU 83 N -2.80 1.58 -2.24 0.00 4.77 0.14 -4.03 117.00 114.42 2dqe n LEU 83 Ca -0.02 -0.52 -0.30 0.00 -0.03 0.00 0.00 56.01 55.15 2dqe n LEU 83 Cb 0.12 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 2dqe n LEU 83 CO 0.19 0.27 0.84 0.18 -1.33 0.00 0.00 177.39 177.54 2dqe n LEU 84 N 0.17 6.33 -4.64 2.23 4.32 -0.04 -3.75 117.00 121.62 2dqe n LEU 84 Ca 0.17 -4.58 -0.26 0.00 -0.02 0.00 0.00 56.01 51.33 2dqe n LEU 84 Cb 0.38 -0.68 -0.08 0.00 -1.62 0.00 0.00 43.42 41.42 2dqe n LEU 84 CO 0.18 1.81 -0.34 -0.55 -1.22 0.00 0.00 177.39 177.26 2dqe s SER 85 N -2.64 4.64 0.23 -1.43 0.15 -1.26 -4.80 113.70 108.59 2dqe s SER 85 Ca 0.57 -0.48 0.24 0.00 0.70 0.00 0.00 55.95 56.99 2dqe s SER 85 Cb 0.46 -0.93 0.93 0.00 -1.71 0.00 0.00 66.02 64.76 2dqe s SER 85 CO -0.02 0.07 1.72 -1.20 1.20 0.00 0.00 173.24 175.01 2dqe n SER 86 N -0.25 0.66 -4.57 5.45 7.64 -1.26 -4.41 113.62 116.88 2dqe n SER 86 Ca -0.09 0.63 -0.41 0.00 1.01 0.00 0.00 58.87 60.01 2dqe n SER 86 Cb 0.56 -0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2dqe n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqe s ASP 87 N -4.24 6.38 0.00 6.43 -1.08 -1.26 -4.96 116.67 117.95 2dqe s ASP 87 Ca 0.06 0.11 0.27 0.00 -0.52 0.00 0.00 52.55 52.47 2dqe s ASP 87 Cb 0.10 -2.30 1.61 0.00 -1.46 0.00 0.00 42.92 40.87 2dqe s ASP 87 CO 0.44 -0.52 1.99 2.30 0.52 0.00 0.00 175.17 179.91 2dqe n ILE 88 N 5.48 0.00 -0.30 4.11 -5.35 -1.26 -4.40 119.36 117.64 2dqe n ILE 88 Ca -0.03 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.35 2dqe n ILE 88 Cb 0.49 -0.50 -0.07 0.00 -1.74 0.00 0.00 39.64 37.82 2dqe n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2dqe h THR 89 N 0.00 0.02 -0.73 7.28 2.02 -1.94 -0.37 112.91 119.19 2dqe h THR 89 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2dqe h THR 89 Cb 0.00 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.40 2dqe h THR 89 CO 0.00 0.00 0.22 0.00 0.37 0.00 0.00 175.52 176.11 2dqe h ALA 90 N 0.50 1.00 -0.61 6.16 0.00 -1.82 -0.98 119.26 123.51 2dqe h ALA 90 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2dqe h ALA 90 Cb 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2dqe h ALA 90 CO -0.81 0.66 0.26 0.77 0.00 0.00 0.00 179.25 180.14 2dqe h SER 91 N 1.09 0.82 -0.37 0.00 0.02 -1.63 -0.90 113.55 112.57 2dqe h SER 91 Ca 0.24 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2dqe h SER 91 Cb 0.32 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2dqe h SER 91 CO -0.01 0.75 0.02 0.58 -1.14 0.00 0.00 176.83 177.03 2dqe h VAL 92 N 0.84 1.25 -0.42 2.27 2.07 -0.84 0.31 116.25 121.74 2dqe h VAL 92 Ca 0.21 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2dqe h VAL 92 Cb 0.17 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2dqe h VAL 92 CO -0.02 0.32 0.20 0.78 0.02 0.00 0.00 177.57 178.87 2dqe h ASN 93 N 0.47 0.28 -0.39 0.57 2.35 -0.89 -0.53 115.58 117.44 2dqe h ASN 93 Ca 0.11 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2dqe h ASN 93 Cb 0.43 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2dqe h ASN 93 CO 0.02 0.21 -0.19 0.00 -1.65 0.00 0.00 177.43 175.81 2dqe h ALA 95 N 0.81 1.71 -0.32 0.00 0.00 -0.55 -0.18 119.26 120.73 2dqe h ALA 95 Ca 0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2dqe h ALA 95 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dqe h ALA 95 CO 0.06 0.27 -0.24 0.87 0.00 0.00 0.00 179.25 180.20 2dqe h LYS 96 N 0.55 0.62 -0.24 0.00 1.57 -0.91 -0.69 116.57 117.47 2dqe h LYS 96 Ca 0.15 -0.25 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 2dqe h LYS 96 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2dqe h LYS 96 CO -0.03 0.81 -0.60 -0.22 -0.57 0.00 0.00 179.45 178.84 2dqe h LYS 97 N 0.55 0.83 -0.09 3.15 3.64 -1.05 -2.53 116.57 121.06 2dqe h LYS 97 Ca 0.08 -0.57 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2dqe h LYS 97 Cb 0.71 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2dqe h LYS 97 CO 0.05 1.20 -0.02 0.82 -2.27 0.00 0.00 179.45 179.23 2dqe h ILE 98 N 0.59 0.91 0.00 2.00 2.04 -0.85 -2.28 117.51 119.92 2dqe h ILE 98 Ca -0.01 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2dqe h ILE 98 Cb 1.21 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2dqe h ILE 98 CO 0.13 0.00 0.00 1.62 0.00 0.00 0.00 178.15 179.90 2dqe h VAL 99 N 0.01 0.00 0.00 1.67 3.04 -1.13 -2.41 116.25 117.43 2dqe h VAL 99 Ca 0.04 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2dqe h VAL 99 Cb 0.06 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2dqe h VAL 99 CO -0.09 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.27 2dqe n SER 100 N -2.53 0.00 -4.91 3.17 7.64 -0.86 -4.12 113.62 112.02 2dqe n SER 100 Ca 0.01 -0.96 -0.27 0.00 1.01 0.00 0.00 58.87 58.66 2dqe n SER 100 Cb 0.24 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2dqe n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqe s ASP 101 N -1.98 6.30 0.62 6.43 2.15 -0.91 -4.96 116.67 124.33 2dqe s ASP 101 Ca 0.44 0.85 0.32 0.00 0.43 0.00 0.00 52.55 54.59 2dqe s ASP 101 Cb 0.20 -2.21 1.84 0.00 -0.30 0.00 0.00 42.92 42.45 2dqe s ASP 101 CO 0.34 -0.49 2.15 1.23 -0.17 0.00 0.00 175.17 178.23 2dqe h GLY 102 N 0.51 0.00 2.00 2.66 0.00 -1.88 -0.84 103.07 105.52 2dqe h GLY 102 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2dqe h GLY 102 CO 0.62 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.15 2dqe n ASN 103 N -3.51 0.33 0.00 0.19 5.15 -1.26 -4.96 115.26 111.19 2dqe n ASN 103 Ca -0.00 0.57 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 2dqe n ASN 103 Cb 0.25 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 2dqe n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dqe n GLY 104 N 0.32 2.10 0.00 8.20 0.00 -0.32 -1.72 105.19 113.77 2dqe n GLY 104 Ca 0.04 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.78 2dqe n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dqe n MET 105 N 10.98 0.60 0.00 1.61 2.81 -1.26 -3.25 117.12 128.61 2dqe n MET 105 Ca 0.00 0.03 0.03 0.00 -1.81 0.00 0.00 57.70 55.94 2dqe n MET 105 Cb 0.00 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.15 2dqe n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2dqe n ASN 106 N -1.11 0.00 0.23 7.83 3.02 -0.70 -1.07 115.26 123.46 2dqe n ASN 106 Ca 0.16 0.36 0.09 0.00 -0.03 0.00 0.00 54.58 55.16 2dqe n ASN 106 Cb 0.12 -0.40 0.53 0.00 -0.61 0.00 0.00 39.78 39.42 2dqe n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dqe h ALA 107 N 2.25 1.20 -2.04 5.41 0.00 -1.71 -3.38 119.26 120.98 2dqe h ALA 107 Ca 0.00 -0.21 -0.69 0.00 0.00 0.00 0.00 54.91 54.01 2dqe h ALA 107 Cb 0.08 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.65 2dqe h ALA 107 CO 0.00 0.29 0.06 -1.58 0.00 0.00 0.00 179.25 178.03 2dqe s TRP 108 N -3.99 3.04 0.23 0.00 0.51 -0.23 -4.94 118.94 113.56 2dqe s TRP 108 Ca -0.02 -0.67 -0.07 0.00 -2.12 0.00 0.00 56.10 53.22 2dqe s TRP 108 Cb 0.12 -3.68 0.32 0.00 -0.81 0.00 0.00 33.47 29.43 2dqe s TRP 108 CO 0.64 -1.11 1.81 0.28 -0.51 0.00 0.00 176.95 178.06 2dqe h VAL 109 N 5.88 0.94 -0.65 4.03 2.07 -1.85 -0.89 116.25 125.79 2dqe h VAL 109 Ca -0.28 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 2dqe h VAL 109 Cb 1.09 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2dqe h VAL 109 CO 1.00 0.14 0.07 0.00 0.02 0.00 0.00 177.57 178.80 2dqe h ALA 110 N 1.41 0.89 -0.35 1.67 0.00 -1.92 -0.65 119.26 120.31 2dqe h ALA 110 Ca 0.35 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dqe h ALA 110 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2dqe h ALA 110 CO -0.21 0.67 0.20 2.35 0.00 0.00 0.00 179.25 182.26 2dqe h TRP 111 N 1.02 0.46 -0.63 0.00 7.01 -1.68 0.30 115.95 122.43 2dqe h TRP 111 Ca 0.19 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.19 2dqe h TRP 111 Cb 0.49 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 2dqe h TRP 111 CO 0.04 0.35 0.40 -0.09 -2.79 0.00 0.00 178.44 176.34 2dqe h ARG 112 N 0.44 0.85 0.00 2.65 2.43 -0.92 0.40 114.38 120.23 2dqe h ARG 112 Ca 0.12 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 2dqe h ARG 112 Cb 0.03 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2dqe h ARG 112 CO -0.02 0.59 -0.97 -0.91 -1.51 0.00 0.00 179.97 177.15 2dqe h ASN 113 N 0.85 0.00 0.00 -3.80 -0.26 -0.81 -3.36 115.58 108.20 2dqe h ASN 113 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2dqe h ASN 113 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 2dqe h ASN 113 CO -0.05 0.97 -0.38 0.54 -1.06 0.00 0.00 177.43 177.45 2dqe n ARG 114 N -3.39 4.54 -0.03 0.81 5.12 0.10 -4.89 116.66 118.92 2dqe n ARG 114 Ca -0.00 -0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.86 2dqe n ARG 114 Cb 0.91 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 31.46 2dqe n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dqe n LYS 116 N -3.04 2.38 -0.08 0.00 4.81 -0.05 -0.91 118.16 121.27 2dqe n LYS 116 Ca -0.11 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2dqe n LYS 116 Cb 0.59 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.92 2dqe n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dqe n GLY 117 N 4.09 0.84 3.95 3.14 0.00 -1.26 -4.92 105.19 111.03 2dqe n GLY 117 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2dqe n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dqe s THR 118 N -2.39 2.59 -1.29 2.61 -4.23 -0.09 -5.00 115.64 107.84 2dqe s THR 118 Ca 0.00 -1.18 -0.18 0.00 -1.18 0.00 0.00 61.69 59.16 2dqe s THR 118 Cb 0.00 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 71.09 2dqe s THR 118 CO 0.00 0.00 1.95 -0.67 -0.54 0.00 0.00 174.62 175.36 2dqe n ASP 119 N -1.80 4.15 0.28 3.99 2.03 -1.26 -4.76 116.55 119.18 2dqe n ASP 119 Ca 0.07 -2.85 0.14 0.00 0.52 0.00 0.00 54.79 52.67 2dqe n ASP 119 Cb 0.61 -1.66 0.85 0.00 -0.72 0.00 0.00 41.12 40.20 2dqe n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2dqe h VAL 120 N 5.00 0.62 -0.07 5.18 -1.51 -1.90 -1.30 116.25 122.27 2dqe h VAL 120 Ca 0.46 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.95 2dqe h VAL 120 Cb 0.78 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2dqe h VAL 120 CO 1.63 0.00 0.06 -0.61 -1.23 0.00 0.00 177.57 177.42 2dqe h GLN 121 N 0.00 0.00 -0.32 5.19 5.75 -1.87 -1.07 115.11 122.79 2dqe h GLN 121 Ca 0.01 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 2dqe h GLN 121 Cb 0.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 2dqe h GLN 121 CO -0.00 0.00 0.23 0.00 -2.65 0.00 0.00 178.83 176.41 2dqe h ALA 122 N 1.94 2.20 0.00 3.38 0.00 -1.62 -1.95 119.26 123.20 2dqe h ALA 122 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dqe h ALA 122 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dqe h ALA 122 CO -0.00 -0.28 0.00 0.91 0.00 0.00 0.00 179.25 179.88 2dqe n TRP 123 N -4.46 0.66 0.12 0.00 7.02 -0.40 -2.37 117.44 118.01 2dqe n TRP 123 Ca 0.04 0.28 0.02 0.00 -1.02 0.00 0.00 57.50 56.82 2dqe n TRP 123 Cb 0.34 -0.95 0.02 0.00 -2.42 0.00 0.00 31.31 28.31 2dqe n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2dqe n ILE 124 N -2.12 0.19 -2.52 -0.99 -5.35 -0.75 -4.82 119.36 103.00 2dqe n ILE 124 Ca 0.01 -0.59 -0.35 0.00 -0.27 0.00 0.00 62.75 61.55 2dqe n ILE 124 Cb 0.17 0.97 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 2dqe n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2dqe s ARG 125 N -0.46 3.84 -0.92 6.28 3.52 -1.00 -3.55 118.95 126.66 2dqe s ARG 125 Ca 0.05 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.07 2dqe s ARG 125 Cb 0.04 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.25 2dqe s ARG 125 CO 0.05 -0.41 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 2dqe n GLY 126 N -0.10 0.07 3.21 8.12 0.00 -1.26 -5.02 105.19 110.21 2dqe n GLY 126 Ca 0.09 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 2dqe n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqe s ARG 128 N -1.27 3.67 0.00 0.00 1.81 -1.26 -5.14 118.95 116.76 2dqe s ARG 128 Ca 0.05 0.29 0.04 0.00 -1.72 0.00 0.00 55.73 54.38 2dqe s ARG 128 Cb -0.09 -3.86 0.03 0.00 -0.45 0.00 0.00 34.95 30.58 2dqe s ARG 128 CO 0.02 -1.03 0.61 1.28 -0.68 0.00 0.00 175.30 175.50