#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtk s VAL 2 N 0.00 4.50 0.43 3.15 1.01 -1.26 -0.61 120.40 127.61 1qtk s VAL 2 Ca 0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 1qtk s VAL 2 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1qtk s VAL 2 CO 0.00 -0.37 1.02 -0.36 0.00 0.00 0.00 175.10 175.39 1qtk s PHE 3 N 1.51 3.20 0.66 5.22 0.40 -0.36 -5.01 117.98 123.61 1qtk s PHE 3 Ca 0.02 1.62 -0.10 0.00 -0.60 0.00 0.00 56.93 57.87 1qtk s PHE 3 Cb -0.21 -3.05 -0.00 0.00 0.51 0.00 0.00 43.02 40.27 1qtk s PHE 3 CO 0.05 -0.56 1.04 0.20 0.70 0.00 0.00 175.22 176.65 1qtk s GLY 4 N -1.82 1.63 0.08 4.36 0.00 -1.26 -4.84 107.32 105.47 1qtk s GLY 4 Ca 0.61 -0.32 -0.34 0.00 0.00 0.00 0.00 44.72 44.67 1qtk s GLY 4 CO 0.22 -0.00 1.59 -0.09 0.00 0.00 0.00 173.10 174.82 1qtk h ARG 5 N -0.47 -0.91 -0.16 2.90 2.43 -1.97 -1.44 114.38 114.77 1qtk h ARG 5 Ca -0.45 0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.65 1qtk h ARG 5 Cb 1.23 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1qtk h ARG 5 CO 0.63 -0.61 -0.49 0.00 -1.51 0.00 0.00 179.97 178.00 1qtk h GLU 7 N 0.33 0.01 -0.52 0.00 4.81 -1.95 0.18 114.58 117.43 1qtk h GLU 7 Ca 0.02 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1qtk h GLU 7 Cb 0.98 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1qtk h GLU 7 CO 0.08 0.00 -0.02 1.25 -0.73 0.00 0.00 179.01 179.60 1qtk h LEU 8 N 0.01 0.92 -0.15 1.64 5.85 -0.92 0.88 115.31 123.53 1qtk h LEU 8 Ca 0.14 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1qtk h LEU 8 Cb 0.20 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1qtk h LEU 8 CO -0.28 1.01 -0.24 0.00 -0.34 0.00 0.00 178.44 178.59 1qtk h ALA 9 N 0.94 -0.20 -0.51 1.25 0.00 -0.96 0.27 119.26 120.05 1qtk h ALA 9 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1qtk h ALA 9 Cb 0.55 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1qtk h ALA 9 CO 0.03 -0.69 0.25 0.00 0.00 0.00 0.00 179.25 178.84 1qtk h ALA 10 N 0.68 0.65 -0.90 0.00 0.00 -0.34 -0.47 119.26 118.89 1qtk h ALA 10 Ca 0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1qtk h ALA 10 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1qtk h ALA 10 CO -0.31 -0.11 0.49 0.00 0.00 0.00 0.00 179.25 179.32 1qtk h ALA 11 N 1.28 1.18 -0.50 0.00 0.00 0.04 -1.42 119.26 119.83 1qtk h ALA 11 Ca 0.23 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1qtk h ALA 11 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qtk h ALA 11 CO -0.17 0.66 -0.02 0.52 0.00 0.00 0.00 179.25 180.24 1qtk h MET 12 N 1.25 0.90 0.21 0.00 2.86 -0.00 -1.79 114.93 118.36 1qtk h MET 12 Ca 0.32 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1qtk h MET 12 Cb 0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1qtk h MET 12 CO -0.05 0.94 -0.20 -0.22 1.06 0.00 0.00 176.91 178.44 1qtk h LYS 13 N 0.76 -0.42 -0.88 1.72 3.64 -0.93 -1.16 116.57 119.31 1qtk h LYS 13 Ca 0.14 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.74 1qtk h LYS 13 Cb 0.55 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.40 1qtk h LYS 13 CO 0.03 -0.28 0.58 -0.09 -2.27 0.00 0.00 179.45 177.42 1qtk h ARG 14 N -0.43 0.40 -0.44 1.90 2.43 -1.16 0.17 114.38 117.26 1qtk h ARG 14 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1qtk h ARG 14 Cb 0.40 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1qtk h ARG 14 CO -0.04 0.27 0.00 0.72 -1.51 0.00 0.00 179.97 179.41 1qtk n HIS 15 N -4.51 0.59 -0.46 2.20 8.25 -0.55 -4.92 115.22 115.83 1qtk n HIS 15 Ca 0.18 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1qtk n HIS 15 Cb 0.67 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1qtk n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qtk n GLY 16 N 1.12 0.77 0.17 -1.41 0.00 0.61 -4.96 105.19 101.50 1qtk n GLY 16 Ca 0.14 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1qtk n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qtk h LEU 17 N 0.00 0.00 -9.32 0.99 4.07 -1.43 -3.39 115.31 106.22 1qtk h LEU 17 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 1qtk h LEU 17 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 1qtk h LEU 17 CO 0.00 0.28 1.19 -0.62 -1.08 0.00 0.00 178.44 178.21 1qtk s ASP 18 N -6.31 6.51 -1.86 -0.43 2.15 -1.26 -0.69 116.67 114.78 1qtk s ASP 18 Ca 0.05 2.53 0.00 0.00 0.43 0.00 0.00 52.55 55.56 1qtk s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1qtk s ASP 18 CO 0.72 -1.02 0.00 0.59 -0.17 0.00 0.00 175.17 175.29 1qtk n ASN 19 N 7.44 -5.16 -4.69 -0.34 3.02 0.20 -4.86 115.26 110.87 1qtk n ASN 19 Ca 0.19 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.72 1qtk n ASN 19 Cb 0.42 -4.23 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 1qtk n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1qtk s TYR 20 N -2.69 2.49 -1.37 3.10 5.04 0.13 -0.79 117.35 123.28 1qtk s TYR 20 Ca 0.00 0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 55.00 1qtk s TYR 20 Cb 0.00 -3.93 0.01 0.00 0.35 0.00 0.00 41.96 38.38 1qtk s TYR 20 CO 0.00 -3.71 0.09 0.54 -1.34 0.00 0.00 175.55 171.13 1qtk n ARG 21 N 5.50 -2.37 -1.01 4.97 5.12 -1.26 -1.04 116.66 126.57 1qtk n ARG 21 Ca 0.15 0.76 -0.00 0.00 -1.93 0.00 0.00 57.85 56.83 1qtk n ARG 21 Cb 0.41 -5.41 -0.00 0.00 -1.16 0.00 0.00 32.46 26.29 1qtk n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qtk n GLY 22 N -0.97 0.46 3.51 -0.13 0.00 0.03 -5.02 105.19 103.08 1qtk n GLY 22 Ca -0.17 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1qtk n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qtk s TYR 23 N -1.91 3.21 0.80 1.61 1.51 -0.20 -4.88 117.35 117.49 1qtk s TYR 23 Ca 0.00 -0.22 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 1qtk s TYR 23 Cb 0.00 -2.68 0.08 0.00 -0.11 0.00 0.00 41.96 39.25 1qtk s TYR 23 CO 0.00 -0.51 1.16 -1.54 -1.11 0.00 0.00 175.55 173.55 1qtk s SER 24 N 1.74 3.82 0.39 2.29 1.04 -1.26 -0.63 113.70 121.08 1qtk s SER 24 Ca 0.10 2.18 0.17 0.00 0.48 0.00 0.00 55.95 58.87 1qtk s SER 24 Cb -0.17 -2.57 1.06 0.00 0.10 0.00 0.00 66.02 64.44 1qtk s SER 24 CO 0.12 -2.51 1.77 0.25 0.98 0.00 0.00 173.24 173.85 1qtk h LEU 25 N -1.03 0.49 -0.91 2.42 5.85 -1.89 -0.93 115.31 119.31 1qtk h LEU 25 Ca -0.45 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1qtk h LEU 25 Cb 1.27 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1qtk h LEU 25 CO 0.47 0.11 0.00 1.23 -0.34 0.00 0.00 178.44 179.91 1qtk h GLY 26 N 0.44 0.00 1.09 3.75 0.00 -1.90 -2.64 103.07 103.79 1qtk h GLY 26 Ca 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.79 1qtk h GLY 26 CO -0.31 0.00 -0.22 3.43 0.00 0.00 0.00 176.54 179.44 1qtk h ASN 27 N 0.00 0.98 -0.51 0.19 2.35 -1.40 -1.51 115.58 115.68 1qtk h ASN 27 Ca 0.00 -0.40 -0.10 0.00 -0.55 0.00 0.00 56.30 55.25 1qtk h ASN 27 Cb 0.51 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1qtk h ASN 27 CO 0.00 1.16 -0.06 -0.50 -1.65 0.00 0.00 177.43 176.38 1qtk h TRP 28 N 0.79 1.05 -0.18 1.19 4.06 -1.57 -0.32 115.95 120.96 1qtk h TRP 28 Ca 0.10 -0.21 -0.06 0.00 2.06 0.00 0.00 58.89 60.78 1qtk h TRP 28 Cb 0.80 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1qtk h TRP 28 CO 0.06 0.98 -0.14 0.28 -3.56 0.00 0.00 178.44 176.06 1qtk h VAL 29 N 0.81 1.32 -0.64 1.49 2.07 -1.51 -1.08 116.25 118.72 1qtk h VAL 29 Ca 0.14 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1qtk h VAL 29 Cb 0.61 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 1qtk h VAL 29 CO 0.04 0.38 0.34 0.00 0.02 0.00 0.00 177.57 178.35 1qtk h ALA 31 N 1.35 0.49 -0.22 0.00 0.00 -0.88 -2.36 119.26 117.63 1qtk h ALA 31 Ca 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1qtk h ALA 31 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qtk h ALA 31 CO -0.19 0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.24 1qtk h ALA 32 N 1.03 0.27 -0.34 0.00 0.00 -0.95 0.15 119.26 119.43 1qtk h ALA 32 Ca 0.13 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1qtk h ALA 32 Cb 0.12 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 1qtk h ALA 32 CO -0.02 -0.24 -0.30 -0.22 0.00 0.00 0.00 179.25 178.47 1qtk h LYS 33 N 0.28 -0.26 0.00 0.00 1.63 -0.46 -1.39 116.57 116.37 1qtk h LYS 33 Ca 0.08 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1qtk h LYS 33 Cb -0.01 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1qtk h LYS 33 CO -0.02 -0.17 -0.46 0.74 -3.45 0.00 0.00 179.45 176.09 1qtk h PHE 34 N -0.27 0.00 0.13 1.91 0.04 -1.28 0.13 116.94 117.60 1qtk h PHE 34 Ca 0.16 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.68 1qtk h PHE 34 Cb 0.52 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.70 1qtk h PHE 34 CO -0.49 0.00 -1.05 0.93 -0.60 0.00 0.00 178.31 177.10 1qtk h GLU 35 N 0.00 0.48 0.00 1.51 4.39 -0.44 -3.42 114.58 117.10 1qtk h GLU 35 Ca 0.00 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1qtk h GLU 35 Cb 0.90 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1qtk h GLU 35 CO 0.00 1.31 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 1qtk n SER 36 N -3.95 0.19 -3.28 1.42 3.41 -0.55 -4.82 113.62 106.04 1qtk n SER 36 Ca -0.14 -1.04 -0.23 0.00 -0.26 0.00 0.00 58.87 57.20 1qtk n SER 36 Cb 0.91 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.86 1qtk n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qtk n ASN 37 N -0.02 -4.35 -0.93 4.04 4.05 0.46 -1.12 115.26 117.39 1qtk n ASN 37 Ca 0.00 -0.36 -0.11 0.00 0.45 0.00 0.00 54.58 54.55 1qtk n ASN 37 Cb 0.28 -3.57 -0.04 0.00 1.23 0.00 0.00 39.78 37.68 1qtk n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1qtk n PHE 38 N -4.09 -0.08 -3.56 1.20 3.72 -1.18 -4.81 117.46 108.65 1qtk n PHE 38 Ca -0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.95 1qtk n PHE 38 Cb 0.56 -2.19 -0.11 0.00 -0.94 0.00 0.00 39.48 36.80 1qtk n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1qtk s ASN 39 N -2.82 5.85 0.55 4.37 2.47 -0.27 -1.22 114.94 123.87 1qtk s ASN 39 Ca 0.00 -0.87 0.37 0.00 0.42 0.00 0.00 52.86 52.78 1qtk s ASN 39 Cb 0.00 -2.07 2.00 0.00 -1.45 0.00 0.00 41.25 39.73 1qtk s ASN 39 CO 0.00 -0.37 2.14 0.71 -3.72 0.00 0.00 177.10 175.85 1qtk h THR 40 N 5.75 0.00 -0.37 -5.21 1.35 -1.16 -2.18 112.91 111.09 1qtk h THR 40 Ca -0.27 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1qtk h THR 40 Cb 1.12 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1qtk h THR 40 CO 0.68 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.95 1qtk n GLN 41 N -2.81 2.32 -2.09 4.72 6.02 -1.26 -4.00 117.38 120.28 1qtk n GLN 41 Ca -0.02 -2.00 -0.41 0.00 -0.01 0.00 0.00 57.00 54.56 1qtk n GLN 41 Cb 0.07 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 1qtk n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qtk s ALA 42 N -1.52 3.56 0.01 -1.58 0.00 -0.82 -4.78 121.76 116.63 1qtk s ALA 42 Ca 0.37 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.62 1qtk s ALA 42 Cb 0.21 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 1qtk s ALA 42 CO 0.30 -0.67 -0.06 0.95 0.00 0.00 0.00 175.76 176.28 1qtk s THR 43 N -0.35 0.45 -0.06 0.00 -4.23 -1.26 -0.18 115.64 110.01 1qtk s THR 43 Ca 0.55 -0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1qtk s THR 43 Cb -0.40 -0.43 0.04 0.00 1.34 0.00 0.00 72.50 73.05 1qtk s THR 43 CO 0.45 -0.04 0.12 0.20 -0.54 0.00 0.00 174.62 174.81 1qtk s ASN 44 N -0.58 0.32 0.14 3.99 0.01 -0.63 -4.98 114.94 113.21 1qtk s ASN 44 Ca -0.02 0.24 -0.25 0.00 -0.71 0.00 0.00 52.86 52.12 1qtk s ASN 44 Cb -0.05 0.13 -0.07 0.00 0.41 0.00 0.00 41.25 41.67 1qtk s ASN 44 CO -0.00 -0.19 0.77 -0.60 -1.51 0.00 0.00 177.10 175.57 1qtk s ARG 45 N 1.60 4.55 0.28 -0.60 6.06 -1.26 -0.42 118.95 129.15 1qtk s ARG 45 Ca -0.04 1.13 0.04 0.00 -2.50 0.00 0.00 55.73 54.36 1qtk s ARG 45 Cb -0.12 -3.28 -0.03 0.00 0.06 0.00 0.00 34.95 31.58 1qtk s ARG 45 CO -0.05 0.52 0.42 -0.80 -2.50 0.00 0.00 175.30 172.89 1qtk s ASN 46 N -0.94 6.28 0.35 -2.12 -0.87 0.62 -4.96 114.94 113.32 1qtk s ASN 46 Ca 0.36 0.16 0.07 0.00 -1.57 0.00 0.00 52.86 51.88 1qtk s ASN 46 Cb -0.23 -1.86 0.77 0.00 -0.02 0.00 0.00 41.25 39.91 1qtk s ASN 46 CO 0.25 -0.16 1.90 0.74 -2.57 0.00 0.00 177.10 177.27 1qtk h THR 47 N 1.03 0.92 0.00 1.60 2.02 -1.98 -1.92 112.91 114.58 1qtk h THR 47 Ca -0.51 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1qtk h THR 47 Cb 1.23 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1qtk h THR 47 CO 0.61 0.14 0.00 -0.90 0.37 0.00 0.00 175.52 175.73 1qtk n ASP 48 N -4.52 0.00 0.00 4.18 5.75 -1.26 -4.80 116.55 115.89 1qtk n ASP 48 Ca 0.15 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 1qtk n ASP 48 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1qtk n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qtk n GLY 49 N 0.59 2.40 3.74 6.12 0.00 -0.72 -5.02 105.19 112.31 1qtk n GLY 49 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1qtk n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qtk s SER 50 N -1.40 2.98 0.00 1.61 1.04 -1.26 -4.76 113.70 111.91 1qtk s SER 50 Ca 0.00 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.41 1qtk s SER 50 Cb 0.00 -1.52 -0.00 0.00 0.10 0.00 0.00 66.02 64.60 1qtk s SER 50 CO 0.00 -2.88 -0.04 -0.89 0.98 0.00 0.00 173.24 170.40 1qtk s THR 51 N -3.19 0.34 -0.11 2.02 2.01 -1.26 -0.28 115.64 115.17 1qtk s THR 51 Ca 0.65 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 1qtk s THR 51 Cb -0.15 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1qtk s THR 51 CO 0.55 0.05 0.13 -1.81 -0.69 0.00 0.00 174.62 172.85 1qtk s ASP 52 N -0.23 6.30 -0.05 3.53 1.01 0.44 -1.03 116.67 126.65 1qtk s ASP 52 Ca 0.00 0.44 0.02 0.00 0.71 0.00 0.00 52.55 53.72 1qtk s ASP 52 Cb -0.02 -2.02 0.02 0.00 1.01 0.00 0.00 42.92 41.91 1qtk s ASP 52 CO -0.00 0.40 -0.07 -0.31 0.21 0.00 0.00 175.17 175.39 1qtk s TYR 53 N -1.04 0.99 0.00 4.23 2.02 -0.07 -1.61 117.35 121.87 1qtk s TYR 53 Ca 0.16 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1qtk s TYR 53 Cb -0.12 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 1qtk s TYR 53 CO 0.05 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 1qtk n GLY 54 N 3.90 -2.14 0.29 0.71 0.00 0.75 -1.24 105.19 107.46 1qtk n GLY 54 Ca -0.24 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.29 1qtk n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qtk h ILE 55 N 0.00 0.75 -0.15 -0.61 6.09 -1.69 -0.60 117.51 121.30 1qtk h ILE 55 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1qtk h ILE 55 Cb 0.00 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1qtk h ILE 55 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 1qtk n LEU 56 N -4.18 2.82 -3.72 2.19 4.77 -1.26 -4.08 117.00 113.54 1qtk n LEU 56 Ca -0.02 -2.56 -0.24 0.00 -0.03 0.00 0.00 56.01 53.15 1qtk n LEU 56 Cb 0.13 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1qtk n LEU 56 CO 0.31 0.66 -0.10 0.00 -1.33 0.00 0.00 177.39 176.93 1qtk n GLN 57 N -0.51 -3.36 -2.74 3.23 1.13 -0.23 -4.90 117.38 110.00 1qtk n GLN 57 Ca 0.13 0.55 -0.39 0.00 -1.94 0.00 0.00 57.00 55.34 1qtk n GLN 57 Cb 0.57 -4.80 -0.06 0.00 0.11 0.00 0.00 30.24 26.06 1qtk n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qtk s ILE 58 N -3.66 4.06 0.00 5.09 1.01 -0.38 -4.31 121.20 123.02 1qtk s ILE 58 Ca 0.16 1.98 -0.13 0.00 0.00 0.00 0.00 60.65 62.66 1qtk s ILE 58 Cb -0.05 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1qtk s ILE 58 CO 0.84 0.40 0.38 0.21 0.00 0.00 0.00 174.94 176.77 1qtk s ASN 59 N -1.27 6.74 0.15 3.58 3.84 -1.26 -0.89 114.94 125.83 1qtk s ASN 59 Ca 0.44 0.89 0.25 0.00 0.21 0.00 0.00 52.86 54.64 1qtk s ASN 59 Cb -0.25 -2.22 0.92 0.00 -0.55 0.00 0.00 41.25 39.16 1qtk s ASN 59 CO 0.31 0.30 1.76 -1.54 -2.79 0.00 0.00 177.10 175.14 1qtk n SER 60 N 1.66 0.52 -0.20 -4.21 3.41 -0.19 -1.86 113.62 112.73 1qtk n SER 60 Ca -0.13 0.57 -0.09 0.00 -0.26 0.00 0.00 58.87 58.96 1qtk n SER 60 Cb 0.53 -0.70 0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1qtk n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qtk h ARG 61 N 0.00 1.00 0.00 4.33 9.65 -1.83 -3.40 114.38 124.13 1qtk h ARG 61 Ca 0.00 -0.30 -0.06 0.00 -1.10 0.00 0.00 59.98 58.52 1qtk h ARG 61 Cb 0.55 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1qtk h ARG 61 CO 0.00 0.97 -1.24 0.91 2.80 0.00 0.00 179.97 183.41 1qtk n TRP 62 N -4.27 0.00 -0.01 2.20 8.01 -1.19 0.33 117.44 122.52 1qtk n TRP 62 Ca 0.03 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.28 1qtk n TRP 62 Cb 0.31 -0.17 -0.11 0.00 -2.01 0.00 0.00 31.31 29.33 1qtk n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1qtk n TRP 63 N -2.10 0.00 -3.82 -5.99 7.02 -0.78 0.28 117.44 112.04 1qtk n TRP 63 Ca -0.05 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.33 1qtk n TRP 63 Cb 0.59 -0.34 -0.07 0.00 -2.42 0.00 0.00 31.31 29.06 1qtk n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qtk s ASN 65 N -2.56 6.08 0.00 0.00 3.04 0.04 -4.59 114.94 116.96 1qtk s ASN 65 Ca 0.01 0.14 0.00 0.00 0.04 0.00 0.00 52.86 53.05 1qtk s ASN 65 Cb 0.02 -2.08 0.00 0.00 -1.54 0.00 0.00 41.25 37.65 1qtk s ASN 65 CO -0.08 0.11 0.77 -0.90 -3.04 0.00 0.00 177.10 173.96 1qtk n ASP 66 N 3.95 1.47 -0.29 -4.21 5.68 -1.26 -0.86 116.55 121.03 1qtk n ASP 66 Ca -0.16 -1.57 -0.04 0.00 -0.50 0.00 0.00 54.79 52.53 1qtk n ASP 66 Cb 0.52 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.48 1qtk n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qtk n GLY 67 N -0.28 0.49 0.58 6.12 0.00 -1.26 -4.78 105.19 106.05 1qtk n GLY 67 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1qtk n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qtk n ARG 68 N -0.70 0.00 -3.86 1.61 1.85 -1.26 -4.94 116.66 109.37 1qtk n ARG 68 Ca -0.04 -1.04 -0.29 0.00 -1.00 0.00 0.00 57.85 55.48 1qtk n ARG 68 Cb 0.40 -0.44 -0.13 0.00 -1.05 0.00 0.00 32.46 31.24 1qtk n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qtk s THR 69 N 0.00 2.42 -0.11 8.89 2.01 -1.26 -4.86 115.64 122.73 1qtk s THR 69 Ca 0.03 -3.63 -0.35 0.00 0.31 0.00 0.00 61.69 58.05 1qtk s THR 69 Cb 0.03 -2.64 -0.12 0.00 0.01 0.00 0.00 72.50 69.79 1qtk s THR 69 CO -0.01 -0.94 1.89 -2.65 -0.69 0.00 0.00 174.62 172.22 1qtk n PRO 70 N 2.61 2.08 -0.71 4.92 -0.02 -1.26 -0.82 135.00 141.79 1qtk n PRO 70 Ca 0.14 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1qtk n PRO 70 Cb 0.35 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1qtk n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qtk n GLY 71 N 4.49 0.64 3.81 -1.23 0.00 -1.26 -5.03 105.19 106.62 1qtk n GLY 71 Ca 0.24 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1qtk n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qtk s SER 72 N -2.00 5.53 0.37 1.61 1.04 -0.00 -5.07 113.70 115.18 1qtk s SER 72 Ca 0.00 1.69 0.07 0.00 0.48 0.00 0.00 55.95 58.20 1qtk s SER 72 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1qtk s SER 72 CO 0.00 -1.34 0.46 -0.13 0.98 0.00 0.00 173.24 173.21 1qtk s ARG 73 N -4.67 2.90 -0.48 4.02 1.81 0.15 -4.98 118.95 117.70 1qtk s ARG 73 Ca 0.60 -1.18 0.08 0.00 -1.72 0.00 0.00 55.73 53.51 1qtk s ARG 73 Cb -0.15 -2.70 0.31 0.00 -0.45 0.00 0.00 34.95 31.97 1qtk s ARG 73 CO 0.48 -0.06 0.77 -1.71 -0.68 0.00 0.00 175.30 174.10 1qtk n ASN 74 N -1.65 2.36 0.30 0.23 5.15 -1.14 -3.47 115.26 117.05 1qtk n ASN 74 Ca 0.02 -3.24 0.19 0.00 -0.60 0.00 0.00 54.58 50.95 1qtk n ASN 74 Cb 0.59 -0.61 0.91 0.00 -0.53 0.00 0.00 39.78 40.14 1qtk n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1qtk h LEU 75 N 3.35 0.00 -1.44 1.20 3.38 -0.21 0.09 115.31 121.68 1qtk h LEU 75 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1qtk h LEU 75 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1qtk h LEU 75 CO 0.65 0.02 -0.09 0.00 0.09 0.00 0.00 178.44 179.10 1qtk n ASN 77 N 0.70 -6.44 -3.53 0.00 4.13 0.02 -4.98 115.26 105.14 1qtk n ASN 77 Ca 0.14 -0.69 -0.16 0.00 1.68 0.00 0.00 54.58 55.55 1qtk n ASN 77 Cb 0.50 -4.61 -0.06 0.00 -1.54 0.00 0.00 39.78 34.07 1qtk n ASN 77 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1qtk s ILE 78 N -3.33 0.00 0.23 2.41 2.07 -1.26 -5.06 121.20 116.26 1qtk s ILE 78 Ca 0.37 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.31 1qtk s ILE 78 Cb -0.08 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.42 1qtk s ILE 78 CO 0.78 0.00 1.34 -2.84 -1.91 0.00 0.00 174.94 172.31 1qtk s PRO 79 N -1.22 4.36 0.56 3.50 0.02 -1.26 -0.78 135.00 140.18 1qtk s PRO 79 Ca -0.08 2.13 0.26 0.00 0.02 0.00 0.00 61.00 63.34 1qtk s PRO 79 Cb -0.00 -3.16 1.47 0.00 0.02 0.00 0.00 34.50 32.84 1qtk s PRO 79 CO 0.07 -0.27 2.01 0.00 -0.33 0.00 0.00 177.00 178.48 1qtk h SER 81 N 0.00 0.40 -0.74 0.00 4.64 -1.90 -0.51 113.55 115.44 1qtk h SER 81 Ca 0.19 -0.03 0.19 0.00 -0.47 0.00 0.00 61.79 61.67 1qtk h SER 81 Cb 0.87 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 1qtk h SER 81 CO -0.00 0.36 0.52 0.00 -0.87 0.00 0.00 176.83 176.83 1qtk h ALA 82 N 1.71 2.43 0.00 5.18 0.00 -1.30 0.36 119.26 127.64 1qtk h ALA 82 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qtk h ALA 82 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qtk h ALA 82 CO -0.01 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 179.87 1qtk n LEU 83 N -4.40 0.00 -0.35 0.00 4.32 -0.20 -2.70 117.00 113.67 1qtk n LEU 83 Ca 0.15 0.28 0.09 0.00 -0.02 0.00 0.00 56.01 56.50 1qtk n LEU 83 Cb 0.69 -0.28 -0.02 0.00 -1.62 0.00 0.00 43.42 42.20 1qtk n LEU 83 CO 0.35 -0.12 0.23 0.18 -1.22 0.00 0.00 177.39 176.82 1qtk n LEU 84 N -1.28 1.62 -4.59 2.23 4.77 0.12 -4.02 117.00 115.84 1qtk n LEU 84 Ca 0.08 -0.73 -0.34 0.00 -0.03 0.00 0.00 56.01 54.99 1qtk n LEU 84 Cb 0.14 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 1qtk n LEU 84 CO 0.13 0.31 0.46 -0.24 -1.33 0.00 0.00 177.39 176.73 1qtk n SER 85 N -0.27 0.02 0.05 -1.43 2.88 -1.10 -4.17 113.62 109.61 1qtk n SER 85 Ca 0.07 0.56 0.13 0.00 -1.33 0.00 0.00 58.87 58.30 1qtk n SER 85 Cb 0.36 -1.39 0.51 0.00 -0.75 0.00 0.00 64.21 62.94 1qtk n SER 85 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1qtk n SER 86 N -2.13 0.37 -4.55 -3.46 3.41 -1.26 -4.50 113.62 101.51 1qtk n SER 86 Ca 0.12 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 1qtk n SER 86 Cb 0.51 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1qtk n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qtk s ASP 87 N -3.69 6.39 0.00 4.04 2.15 -1.26 -4.95 116.67 119.34 1qtk s ASP 87 Ca 0.12 -0.07 0.22 0.00 0.43 0.00 0.00 52.55 53.26 1qtk s ASP 87 Cb 0.15 -2.34 1.34 0.00 -0.30 0.00 0.00 42.92 41.77 1qtk s ASP 87 CO 0.54 -0.73 1.81 2.30 -0.17 0.00 0.00 175.17 178.92 1qtk n ILE 88 N 5.80 0.00 -0.14 4.11 -5.35 -1.26 -4.17 119.36 118.34 1qtk n ILE 88 Ca -0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 1qtk n ILE 88 Cb 0.48 -0.42 0.02 0.00 -1.74 0.00 0.00 39.64 37.98 1qtk n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1qtk h THR 89 N 0.00 0.39 -0.32 7.28 2.02 -1.94 0.02 112.91 120.35 1qtk h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1qtk h THR 89 Cb 0.00 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1qtk h THR 89 CO 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.87 1qtk h ALA 90 N 1.21 1.37 -0.25 6.16 0.00 -1.86 -0.28 119.26 125.61 1qtk h ALA 90 Ca 0.22 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1qtk h ALA 90 Cb 0.44 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qtk h ALA 90 CO -0.53 0.43 -0.42 0.77 0.00 0.00 0.00 179.25 179.50 1qtk h SER 91 N 0.48 0.80 -0.28 0.00 0.02 -1.52 -1.92 113.55 111.13 1qtk h SER 91 Ca 0.10 -0.53 -0.01 0.00 -0.84 0.00 0.00 61.79 60.52 1qtk h SER 91 Cb 0.34 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1qtk h SER 91 CO 0.01 1.18 0.14 0.58 -1.14 0.00 0.00 176.83 177.60 1qtk h VAL 92 N 0.46 1.14 -0.44 2.27 2.07 -0.67 0.32 116.25 121.40 1qtk h VAL 92 Ca 0.02 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1qtk h VAL 92 Cb 1.02 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1qtk h VAL 92 CO 0.10 0.15 0.26 0.78 0.02 0.00 0.00 177.57 178.87 1qtk h ASN 93 N 0.32 0.42 -0.62 0.57 2.35 -1.04 -0.78 115.58 116.80 1qtk h ASN 93 Ca 0.10 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 1qtk h ASN 93 Cb 0.11 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1qtk h ASN 93 CO -0.01 0.30 0.03 0.00 -1.65 0.00 0.00 177.43 176.10 1qtk h ALA 95 N 1.00 1.54 -0.61 0.00 0.00 0.05 -1.21 119.26 120.04 1qtk h ALA 95 Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1qtk h ALA 95 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1qtk h ALA 95 CO 0.03 0.42 0.12 0.87 0.00 0.00 0.00 179.25 180.68 1qtk h LYS 96 N 0.91 0.97 -0.32 0.00 1.57 -0.93 -0.09 116.57 118.68 1qtk h LYS 96 Ca 0.26 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1qtk h LYS 96 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1qtk h LYS 96 CO -0.06 0.88 -0.25 0.87 -0.57 0.00 0.00 179.45 180.32 1qtk h LYS 97 N 0.92 0.63 -0.15 3.15 1.57 -1.30 -1.66 116.57 119.73 1qtk h LYS 97 Ca 0.19 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1qtk h LYS 97 Cb 0.37 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1qtk h LYS 97 CO 0.01 0.82 -0.11 0.82 -0.57 0.00 0.00 179.45 180.41 1qtk h ILE 98 N 0.55 1.33 0.00 1.86 2.04 -0.59 -2.47 117.51 120.23 1qtk h ILE 98 Ca 0.08 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1qtk h ILE 98 Cb 0.72 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1qtk h ILE 98 CO 0.06 0.36 0.00 1.33 0.00 0.00 0.00 178.15 179.89 1qtk n VAL 99 N -4.60 0.80 0.24 1.67 0.24 -0.11 -1.72 118.33 114.87 1qtk n VAL 99 Ca -0.06 0.19 0.12 0.00 -2.04 0.00 0.00 64.34 62.55 1qtk n VAL 99 Cb 0.33 -1.13 0.14 0.00 -1.47 0.00 0.00 33.84 31.72 1qtk n VAL 99 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1qtk h SER 100 N 0.00 0.00 -0.52 -1.34 0.02 -1.05 -3.33 113.55 107.32 1qtk h SER 100 Ca 0.00 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1qtk h SER 100 Cb 0.40 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.83 1qtk h SER 100 CO 0.00 0.01 -0.41 -0.78 -1.14 0.00 0.00 176.83 174.50 1qtk h ASP 101 N 0.00 -1.41 0.00 3.07 3.58 -0.87 -3.47 116.42 117.32 1qtk h ASP 101 Ca 0.00 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1qtk h ASP 101 Cb 0.96 0.64 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1qtk h ASP 101 CO 0.00 -0.34 0.00 0.61 -2.88 0.00 0.00 179.24 176.63 1qtk n GLY 102 N -1.41 1.00 2.02 -0.78 0.00 -1.26 -4.96 105.19 99.80 1qtk n GLY 102 Ca 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1qtk n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qtk n ASN 103 N 0.00 4.49 0.00 1.61 6.94 -1.26 -5.04 115.26 122.00 1qtk n ASN 103 Ca 0.00 -3.25 0.00 0.00 -0.02 0.00 0.00 54.58 51.31 1qtk n ASN 103 Cb 0.00 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 36.66 1qtk n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qtk n GLY 104 N -0.35 2.43 0.00 4.83 0.00 -1.25 -1.71 105.19 109.14 1qtk n GLY 104 Ca 0.44 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.32 1qtk n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qtk n MET 105 N 14.00 0.75 0.20 1.61 2.81 -1.26 -3.23 117.12 132.00 1qtk n MET 105 Ca 0.00 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.03 1qtk n MET 105 Cb 0.00 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.75 1qtk n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1qtk h ASN 106 N 0.00 0.00 0.30 7.83 4.21 -1.75 0.02 115.58 126.20 1qtk h ASN 106 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1qtk h ASN 106 Cb 0.12 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1qtk h ASN 106 CO 0.00 0.00 -0.02 0.00 -1.29 0.00 0.00 177.43 176.12 1qtk h ALA 107 N 2.00 1.11 -2.33 -0.83 0.00 -1.70 -3.36 119.26 114.15 1qtk h ALA 107 Ca 0.00 -0.02 -0.74 0.00 0.00 0.00 0.00 54.91 54.14 1qtk h ALA 107 Cb 0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.54 1qtk h ALA 107 CO 0.00 0.03 -0.31 -1.58 0.00 0.00 0.00 179.25 177.39 1qtk s TRP 108 N -4.10 3.29 0.21 0.00 0.51 -0.01 -4.94 118.94 113.91 1qtk s TRP 108 Ca -0.03 -1.33 -0.10 0.00 -2.12 0.00 0.00 56.10 52.52 1qtk s TRP 108 Cb 0.12 -3.48 0.30 0.00 -0.81 0.00 0.00 33.47 29.61 1qtk s TRP 108 CO 0.49 -0.94 1.69 0.28 -0.51 0.00 0.00 176.95 177.96 1qtk h VAL 109 N 5.92 0.58 -0.26 4.03 2.07 -1.83 0.38 116.25 127.14 1qtk h VAL 109 Ca -0.27 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1qtk h VAL 109 Cb 1.10 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1qtk h VAL 109 CO 0.93 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 178.55 1qtk h ALA 110 N 1.51 1.52 -0.12 1.67 0.00 -1.92 0.78 119.26 122.69 1qtk h ALA 110 Ca 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1qtk h ALA 110 Cb 0.50 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qtk h ALA 110 CO -0.45 0.35 -0.01 2.35 0.00 0.00 0.00 179.25 181.50 1qtk h TRP 111 N 0.37 0.25 0.00 0.00 7.01 -0.65 0.17 115.95 123.10 1qtk h TRP 111 Ca 0.08 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 1qtk h TRP 111 Cb 0.26 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1qtk h TRP 111 CO 0.01 0.48 -0.32 0.07 -2.79 0.00 0.00 178.44 175.88 1qtk h ARG 112 N -0.06 0.00 0.00 2.65 0.11 -0.48 -0.77 114.38 115.83 1qtk h ARG 112 Ca 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 1qtk h ARG 112 Cb 0.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 1qtk h ARG 112 CO 0.01 0.32 -0.42 -0.91 0.10 0.00 0.00 179.97 179.07 1qtk h ASN 113 N 0.00 0.00 0.00 0.08 2.35 -0.71 -3.39 115.58 113.91 1qtk h ASN 113 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qtk h ASN 113 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1qtk h ASN 113 CO 0.04 0.13 0.00 0.54 -1.65 0.00 0.00 177.43 176.50 1qtk n ARG 114 N -3.01 1.89 0.00 0.81 1.74 0.59 -4.89 116.66 113.79 1qtk n ARG 114 Ca 0.02 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1qtk n ARG 114 Cb 0.59 -0.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 1qtk n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qtk n LYS 116 N -2.71 2.08 -0.97 0.00 4.81 -0.40 -1.24 118.16 119.74 1qtk n LYS 116 Ca 0.00 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1qtk n LYS 116 Cb 0.47 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1qtk n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qtk n GLY 117 N 3.49 0.55 3.92 3.14 0.00 -1.26 -4.95 105.19 110.08 1qtk n GLY 117 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1qtk n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qtk s THR 118 N -2.39 2.20 -1.26 2.61 -4.23 -0.37 -5.01 115.64 107.19 1qtk s THR 118 Ca 0.00 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 59.01 1qtk s THR 118 Cb 0.00 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.41 1qtk s THR 118 CO 0.00 0.00 1.67 -0.62 -0.54 0.00 0.00 174.62 175.13 1qtk s ASP 119 N -4.30 6.84 0.17 3.99 2.15 -1.26 -4.74 116.67 119.51 1qtk s ASP 119 Ca 0.46 -2.42 0.24 0.00 0.43 0.00 0.00 52.55 51.25 1qtk s ASP 119 Cb -0.04 -2.55 0.90 0.00 -0.30 0.00 0.00 42.92 40.94 1qtk s ASP 119 CO 0.28 -1.14 1.72 1.33 -0.17 0.00 0.00 175.17 177.18 1qtk n VAL 120 N 6.20 0.68 0.27 1.11 0.24 -1.26 -2.00 118.33 123.56 1qtk n VAL 120 Ca 0.46 0.05 0.17 0.00 -2.04 0.00 0.00 64.34 62.97 1qtk n VAL 120 Cb 0.46 -0.88 0.92 0.00 -1.47 0.00 0.00 33.84 32.87 1qtk n VAL 120 CO 0.00 0.00 0.00 0.06 -2.14 0.00 0.00 176.83 174.75 1qtk h GLN 121 N 0.00 0.00 0.00 7.34 3.07 -1.86 -0.90 115.11 122.76 1qtk h GLN 121 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1qtk h GLN 121 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 1qtk h GLN 121 CO 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 178.83 178.88 1qtk h ALA 122 N 1.89 1.15 0.00 0.06 0.00 -1.78 -2.24 119.26 118.33 1qtk h ALA 122 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qtk h ALA 122 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qtk h ALA 122 CO -0.00 0.04 0.00 0.91 0.00 0.00 0.00 179.25 180.20 1qtk n TRP 123 N -3.34 0.82 0.21 0.00 7.02 -0.34 -3.13 117.44 118.68 1qtk n TRP 123 Ca -0.02 0.29 0.02 0.00 -1.02 0.00 0.00 57.50 56.77 1qtk n TRP 123 Cb 0.17 -0.97 0.01 0.00 -2.42 0.00 0.00 31.31 28.10 1qtk n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1qtk n ILE 124 N -2.22 0.00 -2.15 -0.99 -5.35 -0.86 -4.77 119.36 103.02 1qtk n ILE 124 Ca 0.03 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 1qtk n ILE 124 Cb 0.30 1.08 -0.03 0.00 -1.74 0.00 0.00 39.64 39.26 1qtk n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1qtk s ARG 125 N -0.59 4.31 0.00 6.28 3.52 -1.11 -1.42 118.95 129.94 1qtk s ARG 125 Ca 0.05 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 1qtk s ARG 125 Cb 0.04 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1qtk s ARG 125 CO 0.08 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 1qtk n GLY 126 N 3.48 2.55 3.76 8.12 0.00 -1.26 -5.03 105.19 116.82 1qtk n GLY 126 Ca 0.11 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1qtk n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qtk s ARG 128 N -1.47 3.25 0.00 0.00 0.52 -1.26 -5.12 118.95 114.87 1qtk s ARG 128 Ca 0.44 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1qtk s ARG 128 Cb -0.23 -4.14 0.00 0.00 0.52 0.00 0.00 34.95 31.09 1qtk s ARG 128 CO 0.29 -2.03 0.37 1.28 0.02 0.00 0.00 175.30 175.22