#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaq s VAL 2 N 0.00 4.31 0.54 0.58 1.01 -1.26 -1.45 120.40 124.13 1yaq s VAL 2 Ca 0.00 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.66 1yaq s VAL 2 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 1yaq s VAL 2 CO 0.00 -0.34 1.15 -0.36 0.00 0.00 0.00 175.10 175.55 1yaq s PHE 3 N 1.48 2.65 0.38 5.22 0.40 -0.19 -5.01 117.98 122.91 1yaq s PHE 3 Ca 0.02 1.53 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 1yaq s PHE 3 Cb -0.21 -3.35 -0.09 0.00 0.51 0.00 0.00 43.02 39.88 1yaq s PHE 3 CO 0.04 -1.70 0.82 -2.00 0.70 0.00 0.00 175.22 173.09 1yaq s GLU 4 N -3.19 4.03 0.06 0.44 2.56 -1.26 -4.86 118.70 116.49 1yaq s GLU 4 Ca 0.72 0.80 -0.23 0.00 0.00 0.00 0.00 54.97 56.26 1yaq s GLU 4 Cb -0.26 -2.33 -0.10 0.00 2.00 0.00 0.00 34.13 33.44 1yaq s GLU 4 CO 0.30 0.04 1.36 -0.09 -0.56 0.00 0.00 175.26 176.31 1yaq h ARG 5 N 1.90 -0.52 0.00 4.30 2.43 -1.96 -1.62 114.38 118.92 1yaq h ARG 5 Ca -0.48 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1yaq h ARG 5 Cb 1.18 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1yaq h ARG 5 CO 0.64 -0.34 -0.14 0.00 -1.51 0.00 0.00 179.97 178.61 1yaq h GLU 7 N 0.00 0.35 -0.43 0.00 4.81 -1.88 -1.56 114.58 115.87 1yaq h GLU 7 Ca -0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1yaq h GLU 7 Cb 0.25 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1yaq h GLU 7 CO 0.02 0.32 0.10 1.25 -0.73 0.00 0.00 179.01 179.97 1yaq h LEU 8 N 0.28 0.65 -0.53 1.64 5.85 -0.77 -2.39 115.31 120.04 1yaq h LEU 8 Ca 0.09 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1yaq h LEU 8 Cb 0.08 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1yaq h LEU 8 CO -0.01 0.71 0.21 0.00 -0.34 0.00 0.00 178.44 179.01 1yaq h ALA 9 N 0.96 0.67 -0.27 1.25 0.00 -1.05 0.53 119.26 121.34 1yaq h ALA 9 Ca 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1yaq h ALA 9 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1yaq h ALA 9 CO 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 179.25 178.88 1yaq h ARG 10 N 0.40 0.49 -0.24 0.00 3.08 -1.19 -2.06 114.38 114.86 1yaq h ARG 10 Ca 0.25 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1yaq h ARG 10 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1yaq h ARG 10 CO -0.24 0.66 -0.04 1.15 -1.07 0.00 0.00 179.97 180.43 1yaq h THR 11 N 0.45 1.28 -0.47 2.04 2.02 -0.72 -1.88 112.91 115.62 1yaq h THR 11 Ca 0.07 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 1yaq h THR 11 Cb 0.58 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1yaq h THR 11 CO 0.04 0.31 -0.01 -0.07 0.37 0.00 0.00 175.52 176.16 1yaq h LEU 12 N 0.20 0.75 -0.33 2.58 3.38 -0.83 -1.95 115.31 119.10 1yaq h LEU 12 Ca 0.06 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1yaq h LEU 12 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1yaq h LEU 12 CO 0.02 0.82 0.18 0.50 0.09 0.00 0.00 178.44 180.06 1yaq h LYS 13 N 0.73 0.36 -0.21 1.13 1.63 -1.20 -2.07 116.57 116.94 1yaq h LYS 13 Ca 0.14 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1yaq h LYS 13 Cb 0.46 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1yaq h LYS 13 CO 0.02 0.24 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.16 1yaq h ARG 14 N 0.38 0.31 -0.11 1.90 2.43 -0.92 -1.88 114.38 116.49 1yaq h ARG 14 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1yaq h ARG 14 Cb 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1yaq h ARG 14 CO -0.07 0.35 0.00 1.28 -1.51 0.00 0.00 179.97 180.02 1yaq n LEU 15 N -4.35 0.73 -0.94 3.80 4.77 -0.77 -4.92 117.00 115.32 1yaq n LEU 15 Ca 0.00 -0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 55.57 1yaq n LEU 15 Cb 0.20 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1yaq n LEU 15 CO 0.37 0.17 -0.05 0.61 -1.33 0.00 0.00 177.39 177.16 1yaq n GLY 16 N 0.83 0.16 0.14 -0.72 0.00 -0.71 -4.97 105.19 99.93 1yaq n GLY 16 Ca 0.10 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.68 1yaq n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yaq h MET 17 N -0.18 0.00 -6.28 1.61 2.86 -1.62 -3.41 114.93 107.92 1yaq h MET 17 Ca -0.17 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.91 1yaq h MET 17 Cb 1.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1yaq h MET 17 CO 0.19 0.00 1.25 0.34 1.06 0.00 0.00 176.91 179.75 1yaq s ASP 18 N -5.53 5.88 0.00 1.22 2.15 -1.26 -2.22 116.67 116.92 1yaq s ASP 18 Ca 0.03 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.06 1yaq s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1yaq s ASP 18 CO 0.74 -1.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 1yaq n GLY 19 N 5.40 0.73 3.67 2.66 0.00 0.23 -4.89 105.19 113.00 1yaq n GLY 19 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1yaq n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yaq s TYR 20 N -2.50 1.57 -1.44 1.61 5.04 -0.94 -1.56 117.35 119.13 1yaq s TYR 20 Ca 0.00 -0.31 -0.11 0.00 -2.44 0.00 0.00 57.07 54.21 1yaq s TYR 20 Cb 0.00 -4.22 0.08 0.00 0.35 0.00 0.00 41.96 38.17 1yaq s TYR 20 CO 0.00 -5.31 0.68 0.54 -1.34 0.00 0.00 175.55 170.12 1yaq n ARG 21 N 6.93 -4.16 -0.99 4.97 5.12 -1.26 -1.08 116.66 126.19 1yaq n ARG 21 Ca 0.19 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1yaq n ARG 21 Cb 0.40 -5.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.37 1yaq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yaq n GLY 22 N -1.39 0.61 3.55 -0.13 0.00 -0.60 -5.01 105.19 102.23 1yaq n GLY 22 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1yaq n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaq s ILE 23 N -2.51 5.29 0.70 -0.61 1.01 -0.25 -4.90 121.20 119.93 1yaq s ILE 23 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 1yaq s ILE 23 Cb 0.00 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1yaq s ILE 23 CO 0.00 0.07 1.13 -0.94 0.00 0.00 0.00 174.94 175.20 1yaq s SER 24 N 1.73 4.75 0.30 3.58 1.04 -1.26 -0.60 113.70 123.25 1yaq s SER 24 Ca 0.07 2.07 -0.01 0.00 0.48 0.00 0.00 55.95 58.56 1yaq s SER 24 Cb -0.17 -2.56 0.49 0.00 0.10 0.00 0.00 66.02 63.88 1yaq s SER 24 CO 0.11 -1.87 1.95 0.25 0.98 0.00 0.00 173.24 174.66 1yaq h LEU 25 N -0.23 0.92 -1.87 2.42 5.85 -1.90 -1.12 115.31 119.38 1yaq h LEU 25 Ca -0.46 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 1yaq h LEU 25 Cb 1.26 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1yaq h LEU 25 CO 0.52 0.64 -0.11 0.00 -0.34 0.00 0.00 178.44 179.15 1yaq h ALA 26 N 1.50 1.65 -0.22 1.25 0.00 -1.92 -1.29 119.26 120.23 1yaq h ALA 26 Ca 0.33 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1yaq h ALA 26 Cb -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yaq h ALA 26 CO -0.09 0.14 -0.36 -0.91 0.00 0.00 0.00 179.25 178.04 1yaq h ASN 27 N 0.00 0.69 -0.76 0.00 2.35 -1.53 -0.51 115.58 115.83 1yaq h ASN 27 Ca -0.00 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.20 1yaq h ASN 27 Cb 0.22 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1yaq h ASN 27 CO 0.01 1.09 0.39 -0.50 -1.65 0.00 0.00 177.43 176.77 1yaq h TRP 28 N 0.32 1.08 -0.24 1.19 4.06 -1.23 -0.37 115.95 120.76 1yaq h TRP 28 Ca 0.02 -0.04 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1yaq h TRP 28 Cb 0.95 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 1yaq h TRP 28 CO 0.09 0.77 0.02 0.52 -3.56 0.00 0.00 178.44 176.28 1yaq h MET 29 N 1.09 0.42 -0.91 0.49 2.86 -1.16 -1.05 114.93 116.66 1yaq h MET 29 Ca 0.27 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1yaq h MET 29 Cb 0.08 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1yaq h MET 29 CO -0.04 0.57 0.59 0.00 1.06 0.00 0.00 176.91 179.09 1yaq h LEU 31 N 1.15 -0.30 -0.89 0.00 5.85 -0.87 -2.44 115.31 117.81 1yaq h LEU 31 Ca 0.36 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1yaq h LEU 31 Cb 0.01 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1yaq h LEU 31 CO -0.12 -0.10 0.57 0.00 -0.34 0.00 0.00 178.44 178.44 1yaq h ALA 32 N 0.22 1.20 0.22 1.25 0.00 -1.02 0.50 119.26 121.63 1yaq h ALA 32 Ca -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yaq h ALA 32 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yaq h ALA 32 CO 0.06 0.38 -0.16 -0.22 0.00 0.00 0.00 179.25 179.31 1yaq h LYS 33 N 1.07 -0.37 0.00 0.00 3.11 -1.12 -1.59 116.57 117.68 1yaq h LYS 33 Ca 0.37 0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 58.11 1yaq h LYS 33 Cb 0.08 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 1yaq h LYS 33 CO -0.14 -0.24 -0.60 -1.49 -2.81 0.00 0.00 179.45 174.16 1yaq h TRP 34 N -0.38 0.00 0.03 1.91 4.06 -1.23 0.44 115.95 120.78 1yaq h TRP 34 Ca -0.01 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.74 1yaq h TRP 34 Cb 0.33 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.51 1yaq h TRP 34 CO -0.11 0.60 -0.79 0.93 -3.56 0.00 0.00 178.44 175.52 1yaq h GLU 35 N 0.00 0.47 0.00 0.49 4.39 -0.82 -3.43 114.58 115.68 1yaq h GLU 35 Ca -0.01 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1yaq h GLU 35 Cb 1.22 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1yaq h GLU 35 CO 0.08 1.20 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 1yaq n SER 36 N -4.09 0.03 -0.61 1.42 3.41 -0.64 -4.85 113.62 108.29 1yaq n SER 36 Ca -0.11 -0.22 -0.06 0.00 -0.26 0.00 0.00 58.87 58.22 1yaq n SER 36 Cb 0.77 0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.86 1yaq n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yaq n GLY 37 N 0.15 0.28 2.34 5.00 0.00 0.14 -3.17 105.19 109.94 1yaq n GLY 37 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1yaq n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yaq n TYR 38 N -3.75 -0.83 -3.72 1.61 4.01 -1.19 -4.78 117.16 108.52 1yaq n TYR 38 Ca -0.07 0.13 -0.38 0.00 -0.16 0.00 0.00 57.90 57.43 1yaq n TYR 38 Cb 0.47 -2.89 -0.12 0.00 -0.31 0.00 0.00 39.34 36.50 1yaq n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1yaq s ASN 39 N -2.61 5.30 0.53 7.72 2.47 -1.19 -1.02 114.94 126.13 1yaq s ASN 39 Ca 0.08 -0.71 0.31 0.00 0.42 0.00 0.00 52.86 52.96 1yaq s ASN 39 Cb -0.03 -1.92 1.13 0.00 -1.45 0.00 0.00 41.25 38.97 1yaq s ASN 39 CO 0.10 -0.22 1.90 0.71 -3.72 0.00 0.00 177.10 175.86 1yaq h THR 40 N 5.83 0.00 -0.29 -5.21 1.35 -1.57 -3.10 112.91 109.92 1yaq h THR 40 Ca -0.31 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1yaq h THR 40 Cb 1.13 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1yaq h THR 40 CO 0.61 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.77 1yaq n ARG 41 N -3.09 2.25 -1.84 4.72 1.85 -1.26 -4.11 116.66 115.17 1yaq n ARG 41 Ca 0.01 -1.88 -0.42 0.00 -1.00 0.00 0.00 57.85 54.57 1yaq n ARG 41 Cb 0.36 -1.47 -0.02 0.00 -1.05 0.00 0.00 32.46 30.27 1yaq n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yaq s ALA 42 N -1.64 3.77 -0.00 2.89 0.00 -1.18 -4.81 121.76 120.80 1yaq s ALA 42 Ca 0.36 1.49 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1yaq s ALA 42 Cb 0.21 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1yaq s ALA 42 CO 0.30 -0.88 -0.04 0.95 0.00 0.00 0.00 175.76 176.08 1yaq s THR 43 N 0.47 0.35 -0.12 0.00 -4.23 -1.26 -0.47 115.64 110.37 1yaq s THR 43 Ca 0.66 -0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1yaq s THR 43 Cb -0.46 -0.30 0.04 0.00 1.34 0.00 0.00 72.50 73.12 1yaq s THR 43 CO 0.40 0.07 0.04 0.21 -0.54 0.00 0.00 174.62 174.81 1yaq s ASN 44 N -0.17 2.05 -0.02 3.99 2.47 -0.65 -4.98 114.94 117.63 1yaq s ASN 44 Ca 0.01 -0.38 -0.24 0.00 0.42 0.00 0.00 52.86 52.67 1yaq s ASN 44 Cb -0.02 -0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 39.34 1yaq s ASN 44 CO -0.00 -0.27 0.72 -0.47 -3.72 0.00 0.00 177.10 173.36 1yaq s TYR 45 N 2.01 3.64 -0.60 0.43 5.04 -1.26 -0.86 117.35 125.74 1yaq s TYR 45 Ca 0.03 1.33 -0.10 0.00 -2.44 0.00 0.00 57.07 55.88 1yaq s TYR 45 Cb -0.14 -2.80 0.15 0.00 0.35 0.00 0.00 41.96 39.52 1yaq s TYR 45 CO -0.06 0.17 0.49 -0.80 -1.34 0.00 0.00 175.55 174.01 1yaq s ASN 46 N 0.44 5.97 0.50 4.32 0.01 0.17 -4.93 114.94 121.43 1yaq s ASN 46 Ca 0.38 -2.24 0.19 0.00 -0.71 0.00 0.00 52.86 50.48 1yaq s ASN 46 Cb -0.19 -2.07 1.26 0.00 0.41 0.00 0.00 41.25 40.67 1yaq s ASN 46 CO 0.20 -0.64 2.08 0.00 -1.51 0.00 0.00 177.10 177.23 1yaq h ALA 47 N 8.12 1.68 -0.46 0.60 0.00 -1.96 -1.02 119.26 126.22 1yaq h ALA 47 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1yaq h ALA 47 Cb 1.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1yaq h ALA 47 CO 0.84 0.13 0.29 0.78 0.00 0.00 0.00 179.25 181.29 1yaq h GLY 48 N 0.38 0.65 0.00 0.00 0.00 -1.95 -3.27 103.07 98.88 1yaq h GLY 48 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1yaq h GLY 48 CO 0.01 0.25 0.00 2.09 0.00 0.00 0.00 176.54 178.89 1yaq n ASP 49 N -4.45 1.02 -1.36 0.19 5.75 -1.14 -5.03 116.55 111.52 1yaq n ASP 49 Ca 0.04 -1.42 -0.14 0.00 -0.01 0.00 0.00 54.79 53.26 1yaq n ASP 49 Cb 0.06 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 1yaq n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yaq n ARG 50 N -0.21 -1.04 -4.10 0.11 1.74 -0.40 -4.78 116.66 107.98 1yaq n ARG 50 Ca 0.00 0.80 -0.23 0.00 -0.77 0.00 0.00 57.85 57.65 1yaq n ARG 50 Cb 0.28 -4.99 -0.06 0.00 -1.02 0.00 0.00 32.46 26.67 1yaq n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yaq s SER 51 N -2.57 4.74 -0.01 0.55 1.04 -1.14 -4.44 113.70 111.87 1yaq s SER 51 Ca 0.00 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.74 1yaq s SER 51 Cb 0.00 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.33 1yaq s SER 51 CO 0.00 -0.27 -0.10 -0.89 0.98 0.00 0.00 173.24 172.96 1yaq s THR 52 N -2.40 0.82 -0.16 2.02 2.01 -1.26 -0.65 115.64 116.03 1yaq s THR 52 Ca 0.37 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.76 1yaq s THR 52 Cb -0.03 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 1yaq s THR 52 CO 0.23 0.22 0.32 -1.81 -0.69 0.00 0.00 174.62 172.89 1yaq s ASP 53 N -0.28 6.47 -0.07 3.53 1.01 -0.04 -1.53 116.67 125.76 1yaq s ASP 53 Ca 0.04 0.55 0.05 0.00 0.71 0.00 0.00 52.55 53.90 1yaq s ASP 53 Cb -0.04 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1yaq s ASP 53 CO -0.00 0.08 -0.24 -0.31 0.21 0.00 0.00 175.17 174.91 1yaq s TYR 54 N 0.50 2.50 0.00 4.23 1.51 -0.01 -1.63 117.35 124.45 1yaq s TYR 54 Ca 0.18 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 1yaq s TYR 54 Cb -0.13 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1yaq s TYR 54 CO 0.05 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 174.65 1yaq n GLY 55 N 3.08 -2.04 0.31 0.71 0.00 0.38 -1.70 105.19 105.94 1yaq n GLY 55 Ca -0.18 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1yaq n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yaq h ILE 56 N 0.00 0.98 -0.02 -0.61 2.10 -1.69 -1.54 117.51 116.72 1yaq h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1yaq h ILE 56 Cb 0.00 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 36.40 1yaq h ILE 56 CO 0.00 0.05 -0.08 0.49 -1.08 0.00 0.00 178.15 177.53 1yaq n PHE 57 N -4.48 0.00 -3.53 2.19 3.72 -1.26 -3.98 117.46 110.11 1yaq n PHE 57 Ca 0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.19 1yaq n PHE 57 Cb 0.20 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.79 1yaq n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1yaq n GLN 58 N 0.93 -2.10 -2.75 -1.08 1.13 -0.58 -4.93 117.38 107.99 1yaq n GLN 58 Ca 0.11 0.62 -0.41 0.00 -1.94 0.00 0.00 57.00 55.39 1yaq n GLN 58 Cb 0.50 -4.87 -0.04 0.00 0.11 0.00 0.00 30.24 25.94 1yaq n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yaq s ILE 59 N -3.47 4.63 0.11 5.09 1.01 -0.69 -4.47 121.20 123.42 1yaq s ILE 59 Ca 0.41 2.02 -0.29 0.00 0.00 0.00 0.00 60.65 62.78 1yaq s ILE 59 Cb -0.11 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1yaq s ILE 59 CO 0.81 0.28 0.92 0.21 0.00 0.00 0.00 174.94 177.16 1yaq s ASN 60 N 0.28 7.46 0.37 3.58 3.84 -1.26 -0.83 114.94 128.38 1yaq s ASN 60 Ca 0.47 1.74 0.27 0.00 0.21 0.00 0.00 52.86 55.56 1yaq s ASN 60 Cb -0.22 -2.57 1.17 0.00 -0.55 0.00 0.00 41.25 39.08 1yaq s ASN 60 CO 0.28 -0.03 1.82 0.77 -2.79 0.00 0.00 177.10 177.15 1yaq h SER 61 N 5.45 0.00 0.37 -4.21 4.64 -1.52 -2.32 113.55 115.97 1yaq h SER 61 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 1yaq h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1yaq h SER 61 CO 0.71 0.00 -0.41 -0.09 -0.87 0.00 0.00 176.83 176.17 1yaq h ARG 62 N 0.00 0.06 0.00 4.77 2.43 -1.84 -3.40 114.38 116.40 1yaq h ARG 62 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1yaq h ARG 62 Cb 0.37 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1yaq h ARG 62 CO 0.00 0.46 -0.71 0.66 -1.51 0.00 0.00 179.97 178.87 1yaq n TYR 63 N -4.04 0.00 -0.04 2.20 4.01 -1.20 -0.77 117.16 117.32 1yaq n TYR 63 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1yaq n TYR 63 Cb 0.45 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.35 1yaq n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1yaq n TRP 64 N -1.79 0.85 -4.27 -0.72 7.02 -0.88 -0.36 117.44 117.29 1yaq n TRP 64 Ca 0.00 0.18 -0.15 0.00 -1.02 0.00 0.00 57.50 56.52 1yaq n TRP 64 Cb 0.35 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 28.03 1yaq n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yaq s ASN 66 N -3.21 5.51 0.00 0.00 2.47 -0.37 -4.56 114.94 114.79 1yaq s ASN 66 Ca 0.22 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.51 1yaq s ASN 66 Cb 0.05 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1yaq s ASN 66 CO 0.04 0.12 0.72 -0.90 -3.72 0.00 0.00 177.10 173.36 1yaq n ASP 67 N 3.91 1.33 0.00 -4.21 5.75 -1.26 -1.05 116.55 121.02 1yaq n ASP 67 Ca -0.16 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1yaq n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1yaq n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yaq n GLY 68 N -0.25 1.57 1.00 6.12 0.00 -1.26 -4.70 105.19 107.66 1yaq n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1yaq n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yaq n LYS 69 N -0.33 2.32 -3.20 1.61 2.85 -1.26 -4.91 118.16 115.24 1yaq n LYS 69 Ca 0.00 -2.00 -0.39 0.00 -1.05 0.00 0.00 58.31 54.86 1yaq n LYS 69 Cb 0.00 -1.47 -0.06 0.00 -0.65 0.00 0.00 35.03 32.85 1yaq n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1yaq s THR 70 N -1.82 5.08 0.35 0.58 2.01 -1.26 -4.96 115.64 115.61 1yaq s THR 70 Ca 0.30 1.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 1yaq s THR 70 Cb 0.20 -3.88 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1yaq s THR 70 CO 0.30 0.17 1.42 -2.84 -0.69 0.00 0.00 174.62 172.98 1yaq s PRO 71 N 1.61 4.21 -1.57 4.92 0.02 -1.26 -3.51 135.00 139.42 1yaq s PRO 71 Ca 0.26 2.42 -0.07 0.00 0.02 0.00 0.00 61.00 63.64 1yaq s PRO 71 Cb -0.16 -3.02 0.06 0.00 0.02 0.00 0.00 34.50 31.41 1yaq s PRO 71 CO 0.10 -0.40 0.38 0.41 -0.33 0.00 0.00 177.00 177.16 1yaq n GLY 72 N 0.78 -0.26 3.95 0.52 0.00 -1.26 -4.94 105.19 103.99 1yaq n GLY 72 Ca 0.01 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1yaq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaq s ALA 73 N -3.87 3.82 0.38 4.61 0.00 -1.23 -5.00 121.76 120.48 1yaq s ALA 73 Ca 0.26 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.28 1yaq s ALA 73 Cb -0.15 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 1yaq s ALA 73 CO 0.95 0.21 0.00 0.14 0.00 0.00 0.00 175.76 177.06 1yaq s VAL 74 N -2.06 1.89 -0.49 0.00 -7.23 0.06 -5.00 120.40 107.57 1yaq s VAL 74 Ca 0.37 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1yaq s VAL 74 Cb -0.10 -2.90 0.24 0.00 0.56 0.00 0.00 36.38 34.18 1yaq s VAL 74 CO 0.31 -0.04 0.59 -3.20 -0.31 0.00 0.00 175.10 172.46 1yaq n ASN 75 N -0.89 1.53 0.06 4.85 5.15 -1.21 -3.79 115.26 120.96 1yaq n ASN 75 Ca -0.05 -2.97 0.04 0.00 -0.60 0.00 0.00 54.58 51.00 1yaq n ASN 75 Cb 0.66 -0.65 0.43 0.00 -0.53 0.00 0.00 39.78 39.70 1yaq n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yaq h ALA 76 N 4.18 1.67 -0.00 5.20 0.00 -0.71 -1.65 119.26 127.95 1yaq h ALA 76 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yaq h ALA 76 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1yaq h ALA 76 CO 0.60 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 180.06 1yaq n HIS 78 N -1.44 -1.95 -3.97 0.00 -0.00 -0.62 -4.98 115.22 102.27 1yaq n HIS 78 Ca 0.08 0.80 -0.10 0.00 -0.00 0.00 0.00 57.72 58.50 1yaq n HIS 78 Cb 0.32 -4.28 -0.12 0.00 -0.00 0.00 0.00 29.99 25.91 1yaq n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yaq s LEU 79 N -6.56 2.17 0.38 2.41 1.43 -1.26 -5.08 118.68 112.17 1yaq s LEU 79 Ca 0.08 -0.37 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 1yaq s LEU 79 Cb -0.02 0.03 -0.09 0.00 0.03 0.00 0.00 46.19 46.13 1yaq s LEU 79 CO 0.81 -0.20 1.03 -0.55 0.23 0.00 0.00 176.35 177.67 1yaq s SER 80 N -1.06 6.89 0.64 2.29 0.15 -1.26 -1.24 113.70 120.11 1yaq s SER 80 Ca -0.11 2.01 0.42 0.00 0.70 0.00 0.00 55.95 58.97 1yaq s SER 80 Cb -0.07 -2.59 2.20 0.00 -1.71 0.00 0.00 66.02 63.85 1yaq s SER 80 CO -0.01 -0.39 2.30 0.00 1.20 0.00 0.00 173.24 176.34 1yaq h SER 82 N 0.00 0.59 -0.05 0.00 0.87 -1.91 -1.45 113.55 111.61 1yaq h SER 82 Ca -0.00 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1yaq h SER 82 Cb 0.09 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1yaq h SER 82 CO 0.00 0.40 0.05 0.00 -0.53 0.00 0.00 176.83 176.75 1yaq h ALA 83 N 1.65 1.76 -0.21 6.23 0.00 -1.68 -0.90 119.26 126.10 1yaq h ALA 83 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1yaq h ALA 83 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1yaq h ALA 83 CO -0.07 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.38 1yaq n LEU 84 N -4.07 1.27 -0.12 0.00 4.77 -0.54 -3.50 117.00 114.80 1yaq n LEU 84 Ca -0.02 -0.63 0.01 0.00 -0.03 0.00 0.00 56.01 55.34 1yaq n LEU 84 Cb 0.15 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1yaq n LEU 84 CO 0.30 0.30 0.51 0.18 -1.33 0.00 0.00 177.39 177.34 1yaq n LEU 85 N 0.14 2.11 -4.88 2.23 4.77 -0.34 -3.31 117.00 117.72 1yaq n LEU 85 Ca 0.07 -1.93 -0.30 0.00 -0.03 0.00 0.00 56.01 53.82 1yaq n LEU 85 Cb 0.21 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1yaq n LEU 85 CO 0.05 0.53 0.74 -1.10 -1.33 0.00 0.00 177.39 176.28 1yaq s GLN 86 N -0.94 3.04 0.20 3.23 -0.21 -1.23 -4.55 119.66 119.21 1yaq s GLN 86 Ca 0.04 0.55 0.09 0.00 0.02 0.00 0.00 55.36 56.06 1yaq s GLN 86 Cb 0.02 -2.03 0.10 0.00 1.00 0.00 0.00 33.01 32.10 1yaq s GLN 86 CO 0.03 -0.93 1.46 -0.44 -2.12 0.00 0.00 175.29 173.30 1yaq h ASP 87 N -0.58 0.01 -3.50 5.90 3.32 -1.93 -3.42 116.42 116.23 1yaq h ASP 87 Ca -0.45 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.01 1yaq h ASP 87 Cb 1.24 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.70 1yaq h ASP 87 CO 0.63 0.80 0.73 0.21 -1.72 0.00 0.00 179.24 179.89 1yaq s ASN 88 N -6.80 6.73 0.00 6.45 3.84 -1.26 -4.91 114.94 118.99 1yaq s ASN 88 Ca -0.00 0.66 0.16 0.00 0.21 0.00 0.00 52.86 53.88 1yaq s ASN 88 Cb 0.11 -2.50 0.94 0.00 -0.55 0.00 0.00 41.25 39.25 1yaq s ASN 88 CO 0.79 -0.96 1.59 1.33 -2.79 0.00 0.00 177.10 177.07 1yaq n VAL 89 N 6.15 0.00 -0.19 -5.21 0.24 -1.26 -4.38 118.33 113.67 1yaq n VAL 89 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1yaq n VAL 89 Cb 0.48 -0.26 0.10 0.00 -1.47 0.00 0.00 33.84 32.70 1yaq n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaq h ALA 90 N 3.47 0.70 -0.41 2.33 0.00 -1.95 0.30 119.26 123.70 1yaq h ALA 90 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1yaq h ALA 90 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1yaq h ALA 90 CO 0.00 -0.29 -0.27 -0.44 0.00 0.00 0.00 179.25 178.25 1yaq h ASP 91 N 0.28 0.95 -0.80 0.00 3.32 -1.87 -1.25 116.42 117.05 1yaq h ASP 91 Ca 0.31 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1yaq h ASP 91 Cb 0.44 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1yaq h ASP 91 CO -0.38 1.17 0.41 0.00 -1.72 0.00 0.00 179.24 178.72 1yaq h ALA 92 N 0.81 1.19 -0.32 3.45 0.00 -1.66 -1.20 119.26 121.53 1yaq h ALA 92 Ca 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1yaq h ALA 92 Cb 0.85 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1yaq h ALA 92 CO 0.07 0.63 -0.21 0.28 0.00 0.00 0.00 179.25 180.02 1yaq h VAL 93 N 1.15 1.29 -0.41 0.00 2.07 -0.83 -0.23 116.25 119.29 1yaq h VAL 93 Ca 0.28 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1yaq h VAL 93 Cb 0.08 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1yaq h VAL 93 CO -0.04 0.43 0.16 0.00 0.02 0.00 0.00 177.57 178.15 1yaq h ALA 94 N 0.75 1.52 0.04 1.67 0.00 -0.92 -1.33 119.26 120.99 1yaq h ALA 94 Ca 0.07 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1yaq h ALA 94 Cb 0.76 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yaq h ALA 94 CO 0.06 0.38 -1.08 0.00 0.00 0.00 0.00 179.25 178.60 1yaq h ALA 96 N 0.50 1.29 -0.89 0.00 0.00 -0.75 -0.64 119.26 118.77 1yaq h ALA 96 Ca -0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1yaq h ALA 96 Cb 1.74 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1yaq h ALA 96 CO 0.20 0.54 0.48 0.87 0.00 0.00 0.00 179.25 181.34 1yaq h LYS 97 N 0.93 1.25 -0.44 0.00 1.57 -1.20 -2.28 116.57 116.40 1yaq h LYS 97 Ca 0.23 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1yaq h LYS 97 Cb 0.12 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1yaq h LYS 97 CO -0.03 0.92 0.13 -0.09 -0.57 0.00 0.00 179.45 179.81 1yaq h ARG 98 N 1.25 0.69 -0.63 3.15 9.65 -1.06 -2.94 114.38 124.49 1yaq h ARG 98 Ca 0.31 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 59.10 1yaq h ARG 98 Cb 0.04 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.47 1yaq h ARG 98 CO -0.05 0.67 0.33 0.28 2.80 0.00 0.00 179.97 184.00 1yaq h VAL 99 N 0.57 0.94 0.00 0.20 2.07 -0.70 -2.14 116.25 117.18 1yaq h VAL 99 Ca 0.14 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1yaq h VAL 99 Cb 0.28 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1yaq h VAL 99 CO -0.00 0.11 0.00 1.33 0.02 0.00 0.00 177.57 179.03 1yaq n VAL 100 N -4.84 0.03 1.01 2.57 0.24 -0.90 -2.93 118.33 113.51 1yaq n VAL 100 Ca 0.08 0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.52 1yaq n VAL 100 Cb 0.18 -0.54 0.54 0.00 -1.47 0.00 0.00 33.84 32.55 1yaq n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yaq n ARG 101 N -1.12 0.01 -2.04 7.34 1.74 -0.80 -4.26 116.66 117.53 1yaq n ARG 101 Ca 0.19 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 1yaq n ARG 101 Cb 0.15 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.10 1yaq n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yaq s ASP 102 N -2.99 6.24 0.25 0.55 1.11 -1.15 -4.98 116.67 115.70 1yaq s ASP 102 Ca 0.14 1.32 -0.10 0.00 0.18 0.00 0.00 52.55 54.08 1yaq s ASP 102 Cb 0.19 -2.42 0.37 0.00 1.07 0.00 0.00 42.92 42.13 1yaq s ASP 102 CO 0.57 -0.81 1.59 -0.65 1.18 0.00 0.00 175.17 177.05 1yaq h PRO 103 N -0.20 0.00 0.00 8.23 0.11 -1.89 -1.45 132.00 136.81 1yaq h PRO 103 Ca -0.45 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1yaq h PRO 103 Cb 1.19 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1yaq h PRO 103 CO 0.62 0.00 -0.02 1.96 -0.21 0.00 0.00 178.00 180.35 1yaq h GLN 104 N 0.00 0.00 0.00 1.05 4.20 -1.91 -3.48 115.11 114.97 1yaq h GLN 104 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1yaq h GLN 104 Cb 0.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1yaq h GLN 104 CO -0.87 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 177.72 1yaq n GLY 105 N -1.26 2.91 0.31 3.46 0.00 -0.55 -1.77 105.19 108.29 1yaq n GLY 105 Ca -0.03 -0.34 0.20 0.00 0.00 0.00 0.00 46.02 45.86 1yaq n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yaq h ILE 106 N 0.00 0.10 0.00 -0.61 6.09 -1.91 -2.53 117.51 118.65 1yaq h ILE 106 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1yaq h ILE 106 Cb 0.00 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1yaq h ILE 106 CO 0.00 0.01 0.00 0.54 -3.07 0.00 0.00 178.15 175.63 1yaq n ARG 107 N -3.19 0.13 -0.02 2.19 1.74 -0.73 -2.75 116.66 114.03 1yaq n ARG 107 Ca -0.02 0.47 0.16 0.00 -0.77 0.00 0.00 57.85 57.69 1yaq n ARG 107 Cb 0.14 -1.81 0.61 0.00 -1.02 0.00 0.00 32.46 30.39 1yaq n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yaq h ALA 108 N 2.20 2.28 -2.42 7.54 0.00 -1.60 -3.37 119.26 123.88 1yaq h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1yaq h ALA 108 Cb 0.21 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 1yaq h ALA 108 CO 0.00 -0.42 0.01 -1.58 0.00 0.00 0.00 179.25 177.26 1yaq s TRP 109 N -5.17 3.18 0.37 0.00 0.51 -1.11 -4.95 118.94 111.78 1yaq s TRP 109 Ca -0.06 0.27 0.04 0.00 -2.12 0.00 0.00 56.10 54.24 1yaq s TRP 109 Cb 0.20 -2.97 0.72 0.00 -0.81 0.00 0.00 33.47 30.61 1yaq s TRP 109 CO 0.73 -0.54 2.02 0.28 -0.51 0.00 0.00 176.95 178.93 1yaq h VAL 110 N 5.61 1.14 -0.32 4.03 2.07 -1.89 -1.73 116.25 125.16 1yaq h VAL 110 Ca -0.27 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1yaq h VAL 110 Cb 1.12 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1yaq h VAL 110 CO 0.79 0.15 0.20 0.00 0.02 0.00 0.00 177.57 178.72 1yaq h ALA 111 N 1.65 1.75 -0.55 1.67 0.00 -1.93 -2.12 119.26 119.72 1yaq h ALA 111 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yaq h ALA 111 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1yaq h ALA 111 CO -0.04 0.22 0.30 2.35 0.00 0.00 0.00 179.25 182.09 1yaq h TRP 112 N 0.43 0.75 -0.39 0.00 7.01 -1.63 -0.34 115.95 121.79 1yaq h TRP 112 Ca 0.12 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1yaq h TRP 112 Cb -0.03 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.77 1yaq h TRP 112 CO 0.00 0.55 0.19 0.00 -2.79 0.00 0.00 178.44 176.40 1yaq h ARG 113 N 0.74 0.56 -0.26 2.65 3.08 -1.45 0.13 114.38 119.82 1yaq h ARG 113 Ca 0.19 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1yaq h ARG 113 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1yaq h ARG 113 CO -0.03 0.48 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.42 1yaq h ASN 114 N 0.49 0.48 -0.01 7.04 2.35 -1.16 -3.36 115.58 121.42 1yaq h ASN 114 Ca 0.13 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1yaq h ASN 114 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1yaq h ASN 114 CO -0.02 0.70 -0.07 -2.11 -1.65 0.00 0.00 177.43 174.28 1yaq n ARG 115 N -4.58 1.25 0.00 0.81 0.00 -0.16 -4.86 116.66 109.12 1yaq n ARG 115 Ca -0.03 -0.67 0.00 0.00 -0.00 0.00 0.00 57.85 57.15 1yaq n ARG 115 Cb 0.27 -1.04 0.00 0.00 -0.00 0.00 0.00 32.46 31.69 1yaq n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yaq n GLN 117 N -2.52 2.19 -1.61 0.00 7.27 -0.14 -2.11 117.38 120.46 1yaq n GLN 117 Ca 0.00 0.79 -0.18 0.00 0.07 0.00 0.00 57.00 57.68 1yaq n GLN 117 Cb 0.43 -2.56 -0.07 0.00 2.41 0.00 0.00 30.24 30.45 1yaq n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1yaq n ASN 118 N 3.44 -5.17 -4.72 1.69 5.03 -1.26 -4.97 115.26 109.30 1yaq n ASN 118 Ca 0.17 0.40 -0.24 0.00 0.87 0.00 0.00 54.58 55.77 1yaq n ASN 118 Cb 0.29 -4.25 -0.07 0.00 -1.02 0.00 0.00 39.78 34.73 1yaq n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1yaq s ARG 119 N -3.66 2.24 -0.71 3.52 0.52 -0.90 -5.05 118.95 114.91 1yaq s ARG 119 Ca 0.00 -1.74 -0.25 0.00 -0.52 0.00 0.00 55.73 53.22 1yaq s ARG 119 Cb 0.00 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.49 1yaq s ARG 119 CO 0.00 -0.02 1.15 0.34 0.02 0.00 0.00 175.30 176.79 1yaq s ASP 120 N -3.86 6.18 0.00 0.23 2.15 -1.26 -4.85 116.67 115.25 1yaq s ASP 120 Ca 0.39 -0.72 0.20 0.00 0.43 0.00 0.00 52.55 52.85 1yaq s ASP 120 Cb 0.01 -2.50 0.53 0.00 -0.30 0.00 0.00 42.92 40.66 1yaq s ASP 120 CO 0.22 -1.66 1.44 1.33 -0.17 0.00 0.00 175.17 176.33 1yaq n VAL 121 N 6.19 0.58 -0.12 1.11 0.24 -1.26 -4.37 118.33 120.70 1yaq n VAL 121 Ca 0.01 -0.67 0.07 0.00 -2.04 0.00 0.00 64.34 61.70 1yaq n VAL 121 Cb 0.48 0.53 0.39 0.00 -1.47 0.00 0.00 33.84 33.77 1yaq n VAL 121 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1yaq h ARG 122 N 3.39 0.64 -0.81 7.34 2.43 -1.92 -2.46 114.38 122.98 1yaq h ARG 122 Ca 0.00 -0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.34 1yaq h ARG 122 Cb 0.76 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1yaq h ARG 122 CO 0.00 0.42 0.56 -0.56 -1.51 0.00 0.00 179.97 178.88 1yaq h GLN 123 N 0.65 0.19 0.00 0.20 3.07 -1.98 -1.94 115.11 115.31 1yaq h GLN 123 Ca 0.27 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.93 1yaq h GLN 123 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1yaq h GLN 123 CO -0.08 0.13 -0.29 1.88 0.09 0.00 0.00 178.83 180.55 1yaq h TYR 124 N 0.20 0.00 -0.12 0.06 0.05 -1.78 -3.15 116.97 112.23 1yaq h TYR 124 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 1yaq h TYR 124 Cb 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 1yaq h TYR 124 CO -0.00 0.29 0.00 1.33 -1.05 0.00 0.00 178.16 178.73 1yaq n VAL 125 N -4.03 0.30 -2.10 -2.88 0.24 -0.76 -4.84 118.33 104.25 1yaq n VAL 125 Ca -0.02 -0.65 -0.42 0.00 -2.04 0.00 0.00 64.34 61.21 1yaq n VAL 125 Cb 0.35 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.71 1yaq n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yaq s GLN 126 N -0.96 4.29 0.00 7.34 1.11 -1.02 -2.50 119.66 127.92 1yaq s GLN 126 Ca 0.16 2.15 0.00 0.00 0.01 0.00 0.00 55.36 57.69 1yaq s GLN 126 Cb 0.10 -3.24 0.00 0.00 -1.01 0.00 0.00 33.01 28.86 1yaq s GLN 126 CO 0.15 -0.49 0.00 0.41 0.01 0.00 0.00 175.29 175.37 1yaq n GLY 127 N 3.58 0.81 0.04 3.09 0.00 -1.26 -4.92 105.19 106.53 1yaq n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1yaq n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaq n GLY 129 N 1.46 0.24 0.16 0.00 0.00 -1.26 -4.81 105.19 100.97 1yaq n GLY 129 Ca 0.08 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1yaq n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65