#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsw s VAL 2 N 0.00 3.37 0.47 3.15 1.01 -1.26 -1.26 120.40 125.89 1qsw s VAL 2 Ca 0.00 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.61 1qsw s VAL 2 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 1qsw s VAL 2 CO 0.00 -0.07 1.00 -0.36 0.00 0.00 0.00 175.10 175.67 1qsw s PHE 3 N 1.34 3.13 0.33 5.22 0.08 -0.80 -5.01 117.98 122.27 1qsw s PHE 3 Ca -0.02 1.58 -0.16 0.00 0.12 0.00 0.00 56.93 58.45 1qsw s PHE 3 Cb -0.19 -2.97 -0.09 0.00 -0.57 0.00 0.00 43.02 39.20 1qsw s PHE 3 CO 0.00 -0.55 0.76 -1.21 -0.10 0.00 0.00 175.22 174.12 1qsw s GLU 4 N -3.29 4.03 0.04 0.44 2.02 -1.26 -4.86 118.70 115.82 1qsw s GLU 4 Ca 0.65 0.72 -0.08 0.00 0.02 0.00 0.00 54.97 56.28 1qsw s GLU 4 Cb -0.13 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 1qsw s GLU 4 CO 0.19 0.14 1.07 -2.13 0.02 0.00 0.00 175.26 174.55 1qsw n ARG 5 N -0.37 -0.11 0.07 1.61 0.63 -1.26 -1.90 116.66 115.32 1qsw n ARG 5 Ca 0.04 1.06 0.01 0.00 -0.92 0.00 0.00 57.85 58.04 1qsw n ARG 5 Cb 0.53 -1.58 0.33 0.00 0.45 0.00 0.00 32.46 32.19 1qsw n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1qsw h GLU 7 N 0.34 -0.10 -0.46 0.00 4.81 -1.89 0.16 114.58 117.43 1qsw h GLU 7 Ca 0.07 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1qsw h GLU 7 Cb 0.41 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1qsw h GLU 7 CO 0.02 -0.07 0.18 1.25 -0.73 0.00 0.00 179.01 179.67 1qsw h LEU 8 N -0.11 0.64 -0.60 1.64 5.85 -1.04 -1.70 115.31 120.00 1qsw h LEU 8 Ca 0.10 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1qsw h LEU 8 Cb 0.25 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1qsw h LEU 8 CO -0.23 0.64 0.25 0.00 -0.34 0.00 0.00 178.44 178.75 1qsw h ALA 9 N 1.03 0.78 -0.21 1.25 0.00 -0.87 0.12 119.26 121.36 1qsw h ALA 9 Ca 0.15 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1qsw h ALA 9 Cb 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qsw h ALA 9 CO -0.01 -0.15 -0.47 0.00 0.00 0.00 0.00 179.25 178.62 1qsw h ARG 10 N 0.45 0.55 -0.26 0.00 3.08 -0.84 -1.77 114.38 115.59 1qsw h ARG 10 Ca 0.30 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1qsw h ARG 10 Cb 0.33 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1qsw h ARG 10 CO -0.27 0.91 0.03 1.15 -1.07 0.00 0.00 179.97 180.72 1qsw h THR 11 N 0.44 1.24 -0.75 2.04 2.02 -0.64 -0.43 112.91 116.82 1qsw h THR 11 Ca 0.03 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 1qsw h THR 11 Cb 0.99 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1qsw h THR 11 CO 0.09 0.26 0.39 -0.07 0.37 0.00 0.00 175.52 176.55 1qsw h LEU 12 N 0.25 0.97 -0.44 2.58 3.38 -0.68 -1.14 115.31 120.22 1qsw h LEU 12 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1qsw h LEU 12 Cb 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1qsw h LEU 12 CO 0.01 0.81 0.19 0.50 0.09 0.00 0.00 178.44 180.04 1qsw h LYS 13 N 1.05 0.65 -0.07 1.13 1.63 -1.15 -1.63 116.57 118.20 1qsw h LYS 13 Ca 0.26 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 1qsw h LYS 13 Cb 0.08 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1qsw h LYS 13 CO -0.04 0.59 -0.09 0.00 -3.45 0.00 0.00 179.45 176.46 1qsw h ARG 14 N 0.57 0.10 -0.04 1.90 3.08 -0.82 -1.09 114.38 118.08 1qsw h ARG 14 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1qsw h ARG 14 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1qsw h ARG 14 CO -0.01 0.19 0.00 1.28 -1.07 0.00 0.00 179.97 180.36 1qsw n LEU 15 N -4.38 0.76 -0.16 3.04 4.77 -0.45 -4.94 117.00 115.64 1qsw n LEU 15 Ca -0.02 -0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 55.66 1qsw n LEU 15 Cb 0.20 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1qsw n LEU 15 CO 0.36 0.14 -0.02 0.61 -1.33 0.00 0.00 177.39 177.16 1qsw n GLY 16 N 1.02 0.40 0.14 -0.72 0.00 -0.41 -4.97 105.19 100.65 1qsw n GLY 16 Ca 0.18 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1qsw n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qsw h MET 17 N 0.00 0.00 -6.08 1.61 2.86 -1.50 -3.41 114.93 108.41 1qsw h MET 17 Ca -0.04 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.08 1qsw h MET 17 Cb 0.60 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1qsw h MET 17 CO 0.05 0.00 1.33 0.34 1.06 0.00 0.00 176.91 179.69 1qsw s ASP 18 N -5.10 5.49 0.00 1.22 3.68 -1.26 -1.79 116.67 118.91 1qsw s ASP 18 Ca 0.09 0.74 0.00 0.00 2.13 0.00 0.00 52.55 55.51 1qsw s ASP 18 Cb 0.10 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 1qsw s ASP 18 CO 0.63 -2.13 0.00 0.61 0.13 0.00 0.00 175.17 174.41 1qsw n GLY 19 N 5.59 0.73 3.68 2.66 0.00 -0.02 -4.89 105.19 112.94 1qsw n GLY 19 Ca 0.22 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.74 1qsw n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qsw n TYR 20 N -2.12 2.21 -3.33 1.61 9.36 -0.74 0.31 117.16 124.47 1qsw n TYR 20 Ca 0.00 0.19 -0.23 0.00 3.32 0.00 0.00 57.90 61.18 1qsw n TYR 20 Cb 0.00 -2.58 -0.00 0.00 -0.63 0.00 0.00 39.34 36.13 1qsw n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1qsw n ARG 21 N 5.40 -3.37 -1.29 2.98 5.12 -1.26 0.17 116.66 124.41 1qsw n ARG 21 Ca 0.22 0.48 -0.08 0.00 -1.93 0.00 0.00 57.85 56.53 1qsw n ARG 21 Cb 0.26 -5.19 -0.03 0.00 -1.16 0.00 0.00 32.46 26.34 1qsw n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qsw n GLY 22 N -1.16 0.98 3.54 -0.13 0.00 0.15 -5.00 105.19 103.57 1qsw n GLY 22 Ca -0.02 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1qsw n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qsw s ILE 23 N -2.32 4.60 0.60 -0.61 1.01 0.13 -4.93 121.20 119.67 1qsw s ILE 23 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 1qsw s ILE 23 Cb 0.00 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1qsw s ILE 23 CO 0.00 0.39 1.09 -0.94 0.00 0.00 0.00 174.94 175.47 1qsw s SER 24 N 1.04 5.59 0.27 3.58 1.04 -1.26 -0.84 113.70 123.11 1qsw s SER 24 Ca 0.04 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.42 1qsw s SER 24 Cb -0.14 -2.55 0.48 0.00 0.10 0.00 0.00 66.02 63.91 1qsw s SER 24 CO 0.03 -1.30 1.84 0.25 0.98 0.00 0.00 173.24 175.04 1qsw h LEU 25 N 0.53 0.91 -1.39 2.42 6.46 -1.90 -1.34 115.31 121.01 1qsw h LEU 25 Ca -0.48 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.35 1qsw h LEU 25 Cb 1.24 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 1qsw h LEU 25 CO 0.56 0.52 0.43 0.00 -0.62 0.00 0.00 178.44 179.34 1qsw h ALA 26 N 1.50 1.61 -0.54 1.25 0.00 -1.92 -0.63 119.26 120.52 1qsw h ALA 26 Ca 0.46 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 1qsw h ALA 26 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qsw h ALA 26 CO -0.23 0.33 -0.08 -0.91 0.00 0.00 0.00 179.25 178.36 1qsw h ASN 27 N 0.81 1.00 -0.51 0.00 2.35 -1.59 -1.09 115.58 116.55 1qsw h ASN 27 Ca 0.26 -0.34 -0.08 0.00 -0.55 0.00 0.00 56.30 55.58 1qsw h ASN 27 Cb 0.02 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1qsw h ASN 27 CO -0.07 1.10 -0.00 -0.50 -1.65 0.00 0.00 177.43 176.31 1qsw h TRP 28 N 0.87 0.99 -0.47 1.19 4.06 -0.79 -2.23 115.95 119.56 1qsw h TRP 28 Ca 0.14 -0.17 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 1qsw h TRP 28 Cb 0.64 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 1qsw h TRP 28 CO 0.05 0.92 0.12 0.52 -3.56 0.00 0.00 178.44 176.49 1qsw h MET 29 N 0.77 0.75 -0.59 0.49 2.86 -0.97 -2.29 114.93 115.95 1qsw h MET 29 Ca 0.14 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1qsw h MET 29 Cb 0.53 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1qsw h MET 29 CO 0.03 0.73 0.31 0.00 1.06 0.00 0.00 176.91 179.03 1qsw h LEU 31 N 0.80 -0.46 -1.32 0.00 5.85 -1.29 -1.21 115.31 117.68 1qsw h LEU 31 Ca 0.21 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1qsw h LEU 31 Cb 0.07 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1qsw h LEU 31 CO -0.03 -0.27 -0.28 0.00 -0.34 0.00 0.00 178.44 177.52 1qsw h ALA 32 N 0.36 1.44 0.45 1.25 0.00 -1.20 0.24 119.26 121.80 1qsw h ALA 32 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1qsw h ALA 32 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qsw h ALA 32 CO -0.03 0.41 -0.22 -0.22 0.00 0.00 0.00 179.25 179.19 1qsw h LYS 33 N 0.09 -0.59 -0.04 0.00 3.11 -0.65 -1.86 116.57 116.63 1qsw h LYS 33 Ca 0.01 0.04 -0.14 0.00 -2.81 0.00 0.00 60.65 57.75 1qsw h LYS 33 Cb 0.54 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1qsw h LYS 33 CO 0.04 -0.31 -0.63 -1.49 -2.81 0.00 0.00 179.45 174.25 1qsw h TRP 34 N -0.79 0.20 -0.04 1.91 4.06 -1.06 -1.08 115.95 119.14 1qsw h TRP 34 Ca -0.06 -0.08 -0.06 0.00 2.06 0.00 0.00 58.89 60.75 1qsw h TRP 34 Cb 0.55 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 1qsw h TRP 34 CO -0.01 0.74 -0.19 0.93 -3.56 0.00 0.00 178.44 176.35 1qsw h GLU 35 N 0.11 0.21 0.00 0.49 4.39 -0.98 -3.42 114.58 115.38 1qsw h GLU 35 Ca -0.01 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1qsw h GLU 35 Cb 1.13 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1qsw h GLU 35 CO 0.09 0.82 0.00 -1.13 -1.16 0.00 0.00 179.01 177.63 1qsw n SER 36 N -4.56 0.17 -2.00 1.42 3.41 -0.75 -4.89 113.62 106.43 1qsw n SER 36 Ca -0.09 -0.56 -0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1qsw n SER 36 Cb 0.43 0.20 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 1qsw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qsw n GLY 37 N 0.20 -0.13 2.38 5.00 0.00 -0.41 -2.64 105.19 109.59 1qsw n GLY 37 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1qsw n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qsw n TYR 38 N -4.08 -0.08 -3.62 1.61 0.53 -1.13 -4.81 117.16 105.59 1qsw n TYR 38 Ca -0.09 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.41 1qsw n TYR 38 Cb 0.59 -2.51 -0.11 0.00 -1.03 0.00 0.00 39.34 36.28 1qsw n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1qsw s ASN 39 N -2.80 5.79 0.39 7.72 2.47 -1.08 -1.91 114.94 125.52 1qsw s ASN 39 Ca 0.00 -0.23 0.28 0.00 0.42 0.00 0.00 52.86 53.33 1qsw s ASN 39 Cb 0.00 -2.07 1.09 0.00 -1.45 0.00 0.00 41.25 38.83 1qsw s ASN 39 CO 0.00 -0.12 1.83 0.71 -3.72 0.00 0.00 177.10 175.80 1qsw h THR 40 N 5.48 0.00 -0.01 -5.21 1.35 -1.51 -2.87 112.91 110.15 1qsw h THR 40 Ca -0.34 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1qsw h THR 40 Cb 1.17 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1qsw h THR 40 CO 0.59 0.00 -0.33 0.54 -0.25 0.00 0.00 175.52 176.07 1qsw n ARG 41 N -2.66 0.69 -1.65 4.72 5.12 -1.26 -4.05 116.66 117.57 1qsw n ARG 41 Ca 0.02 -0.42 -0.45 0.00 -1.93 0.00 0.00 57.85 55.07 1qsw n ARG 41 Cb 0.30 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 1qsw n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qsw n ALA 42 N -0.79 0.58 -2.88 7.54 0.00 -1.09 -4.78 120.51 119.08 1qsw n ALA 42 Ca 0.11 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.83 1qsw n ALA 42 Cb 0.35 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.49 1qsw n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qsw s THR 43 N -0.56 0.01 -0.07 0.00 -4.23 -1.26 -0.83 115.64 108.69 1qsw s THR 43 Ca 0.63 -0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1qsw s THR 43 Cb -0.67 -0.04 0.03 0.00 1.34 0.00 0.00 72.50 73.16 1qsw s THR 43 CO 0.55 -0.05 0.02 0.21 -0.54 0.00 0.00 174.62 174.81 1qsw s ASN 44 N -0.13 1.59 0.07 3.99 2.47 -0.36 -4.95 114.94 117.62 1qsw s ASN 44 Ca -0.01 -0.10 -0.25 0.00 0.42 0.00 0.00 52.86 52.91 1qsw s ASN 44 Cb -0.01 -0.39 -0.06 0.00 -1.45 0.00 0.00 41.25 39.34 1qsw s ASN 44 CO -0.00 -0.21 0.78 -0.47 -3.72 0.00 0.00 177.10 173.48 1qsw s TYR 45 N 2.01 3.78 -0.46 0.43 6.14 -1.26 -0.12 117.35 127.86 1qsw s TYR 45 Ca 0.05 1.53 -0.10 0.00 0.64 0.00 0.00 57.07 59.19 1qsw s TYR 45 Cb -0.13 -2.83 0.11 0.00 0.42 0.00 0.00 41.96 39.54 1qsw s TYR 45 CO -0.05 0.32 0.34 -0.80 0.64 0.00 0.00 175.55 175.99 1qsw s ASN 46 N -0.26 5.74 0.22 4.32 0.01 0.26 -4.94 114.94 120.28 1qsw s ASN 46 Ca 0.39 -1.78 -0.08 0.00 -0.71 0.00 0.00 52.86 50.67 1qsw s ASN 46 Cb -0.21 -2.03 0.25 0.00 0.41 0.00 0.00 41.25 39.67 1qsw s ASN 46 CO 0.24 -0.67 1.85 0.00 -1.51 0.00 0.00 177.10 177.01 1qsw h ALA 47 N 8.48 1.02 -0.82 0.60 0.00 -1.96 -0.23 119.26 126.35 1qsw h ALA 47 Ca -0.22 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.83 1qsw h ALA 47 Cb 1.08 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1qsw h ALA 47 CO 0.85 0.25 0.36 0.78 0.00 0.00 0.00 179.25 181.49 1qsw h GLY 48 N 0.91 1.31 -0.29 0.00 0.00 -1.95 -3.03 103.07 100.02 1qsw h GLY 48 Ca 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1qsw h GLY 48 CO -0.13 -0.12 0.00 2.09 0.00 0.00 0.00 176.54 178.37 1qsw n ASP 49 N -4.98 1.79 -3.45 0.19 5.75 -1.13 -5.01 116.55 109.70 1qsw n ASP 49 Ca 0.17 -1.60 -0.18 0.00 -0.01 0.00 0.00 54.79 53.17 1qsw n ASP 49 Cb 0.48 -0.03 0.07 0.00 -1.03 0.00 0.00 41.12 40.61 1qsw n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qsw n ARG 50 N -0.05 -5.38 -4.17 0.11 1.74 -0.11 -5.03 116.66 103.77 1qsw n ARG 50 Ca 0.02 0.80 -0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1qsw n ARG 50 Cb 0.20 -5.69 -0.10 0.00 -1.02 0.00 0.00 32.46 25.85 1qsw n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qsw s SER 51 N -4.16 0.77 0.02 0.55 1.04 -1.15 -5.00 113.70 105.78 1qsw s SER 51 Ca 0.10 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.47 1qsw s SER 51 Cb -0.02 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1qsw s SER 51 CO 0.75 -0.61 -0.21 -0.89 0.98 0.00 0.00 173.24 173.26 1qsw s THR 52 N -3.83 1.69 -0.11 2.02 2.01 -1.26 0.89 115.64 117.04 1qsw s THR 52 Ca 0.19 -1.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.04 1qsw s THR 52 Cb 0.07 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 1qsw s THR 52 CO -0.01 0.30 0.07 -1.81 -0.69 0.00 0.00 174.62 172.48 1qsw s ASP 53 N -0.94 5.75 0.02 3.53 1.01 0.83 -0.83 116.67 126.04 1qsw s ASP 53 Ca 0.08 0.26 0.07 0.00 0.71 0.00 0.00 52.55 53.68 1qsw s ASP 53 Cb -0.09 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.04 1qsw s ASP 53 CO 0.01 0.36 -0.21 -0.31 0.21 0.00 0.00 175.17 175.23 1qsw s TYR 54 N -0.75 1.88 0.00 4.23 2.02 0.15 -1.22 117.35 123.66 1qsw s TYR 54 Ca 0.12 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1qsw s TYR 54 Cb -0.12 -1.15 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 1qsw s TYR 54 CO 0.03 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 1qsw n GLY 55 N 2.07 -1.39 0.38 0.71 0.00 -0.01 -1.40 105.19 105.55 1qsw n GLY 55 Ca -0.17 -1.23 0.17 0.00 0.00 0.00 0.00 46.02 44.79 1qsw n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qsw h ILE 56 N 0.00 0.78 -0.02 -0.61 2.10 -1.71 -1.69 117.51 116.36 1qsw h ILE 56 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1qsw h ILE 56 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 1qsw h ILE 56 CO 0.00 0.05 -0.14 0.49 -1.08 0.00 0.00 178.15 177.47 1qsw n PHE 57 N -4.45 0.00 -3.50 2.19 0.99 -1.26 -4.07 117.46 107.36 1qsw n PHE 57 Ca 0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.35 1qsw n PHE 57 Cb 0.55 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.07 1qsw n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1qsw n GLN 58 N 0.70 -1.47 -2.95 -1.08 1.13 -0.64 -4.92 117.38 108.15 1qsw n GLN 58 Ca 0.10 0.74 -0.40 0.00 -1.94 0.00 0.00 57.00 55.51 1qsw n GLN 58 Cb 0.46 -4.56 -0.06 0.00 0.11 0.00 0.00 30.24 26.20 1qsw n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qsw s ILE 59 N -3.33 4.47 0.49 5.09 1.01 -0.49 -4.54 121.20 123.90 1qsw s ILE 59 Ca 0.35 1.73 -0.21 0.00 0.00 0.00 0.00 60.65 62.52 1qsw s ILE 59 Cb -0.10 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 1qsw s ILE 59 CO 0.82 0.46 1.10 0.21 0.00 0.00 0.00 174.94 177.53 1qsw s ASN 60 N -0.72 6.15 0.55 3.58 2.47 -1.26 0.34 114.94 126.04 1qsw s ASN 60 Ca 0.38 2.11 0.25 0.00 0.42 0.00 0.00 52.86 56.02 1qsw s ASN 60 Cb -0.22 -2.58 1.45 0.00 -1.45 0.00 0.00 41.25 38.44 1qsw s ASN 60 CO 0.26 -0.92 2.02 0.77 -3.72 0.00 0.00 177.10 175.51 1qsw h SER 61 N 1.67 0.00 -1.00 -4.21 4.64 -1.37 -1.34 113.55 111.94 1qsw h SER 61 Ca -0.49 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.08 1qsw h SER 61 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1qsw h SER 61 CO 0.59 0.00 0.66 0.03 -0.87 0.00 0.00 176.83 177.24 1qsw h ARG 62 N 0.00 0.34 0.00 4.77 3.08 -1.92 0.32 114.38 120.97 1qsw h ARG 62 Ca 0.19 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1qsw h ARG 62 Cb 0.83 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1qsw h ARG 62 CO -0.00 0.22 -0.20 1.88 -1.07 0.00 0.00 179.97 180.80 1qsw h TYR 63 N 0.35 0.00 0.00 3.04 -1.99 -1.62 -3.38 116.97 113.36 1qsw h TYR 63 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 1qsw h TYR 63 Cb 1.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.20 1qsw h TYR 63 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1qsw n ALA 65 N -0.32 1.88 -1.44 0.00 0.00 0.73 -3.60 120.51 117.76 1qsw n ALA 65 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1qsw n ALA 65 Cb 0.03 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1qsw n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qsw n ASN 66 N -3.87 -1.93 -4.67 0.00 5.15 -1.22 -4.93 115.26 103.79 1qsw n ASN 66 Ca -0.21 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.35 1qsw n ASN 66 Cb 0.52 -0.96 -0.03 0.00 -0.53 0.00 0.00 39.78 38.78 1qsw n ASN 66 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1qsw s ASP 67 N 0.00 6.43 0.39 1.20 -1.08 -1.20 -4.83 116.67 117.57 1qsw s ASP 67 Ca 0.00 2.73 0.23 0.00 -0.52 0.00 0.00 52.55 54.98 1qsw s ASP 67 Cb 0.00 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.20 1qsw s ASP 67 CO 0.00 -1.04 1.63 1.23 0.52 0.00 0.00 175.17 177.51 1qsw h GLY 68 N 9.82 1.75 1.01 2.66 0.00 -2.02 1.78 103.07 118.06 1qsw h GLY 68 Ca -0.48 -0.17 -0.23 0.00 0.00 0.00 0.00 47.33 46.45 1qsw h GLY 68 CO 0.94 -0.50 -1.55 1.70 0.00 0.00 0.00 176.54 177.13 1qsw h LYS 69 N 0.16 0.00 -3.19 4.80 1.63 -2.04 -3.43 116.57 114.50 1qsw h LYS 69 Ca 0.79 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.96 1qsw h LYS 69 Cb 2.16 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 33.38 1qsw h LYS 69 CO -0.55 0.40 -0.61 0.99 -3.45 0.00 0.00 179.45 176.23 1qsw s THR 70 N -2.76 2.66 0.36 1.00 2.01 0.60 -5.09 115.64 114.43 1qsw s THR 70 Ca -0.04 -3.78 0.04 0.00 0.31 0.00 0.00 61.69 58.22 1qsw s THR 70 Cb 0.08 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1qsw s THR 70 CO 0.82 -0.92 0.53 -2.16 -0.69 0.00 0.00 174.62 172.19 1qsw s PRO 71 N -0.87 3.14 3.50 4.92 0.05 -1.14 -3.26 135.00 141.34 1qsw s PRO 71 Ca 0.21 -0.80 0.00 0.00 0.05 0.00 0.00 61.00 60.46 1qsw s PRO 71 Cb -0.14 -2.74 0.00 0.00 0.05 0.00 0.00 34.50 31.67 1qsw s PRO 71 CO -0.09 -0.01 0.00 0.41 0.05 0.00 0.00 177.00 177.36 1qsw n GLY 72 N -1.77 0.11 5.00 0.56 0.00 -1.26 -4.94 105.19 102.89 1qsw n GLY 72 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1qsw n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsw n ALA 73 N 5.88 0.00 -1.80 4.61 0.00 -1.26 -4.80 120.51 123.15 1qsw n ALA 73 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1qsw n ALA 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1qsw n ALA 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qsw s VAL 74 N 0.00 3.76 -1.08 0.00 -7.23 -1.26 -4.93 120.40 109.65 1qsw s VAL 74 Ca 0.00 1.11 -0.22 0.00 -1.81 0.00 0.00 61.98 61.07 1qsw s VAL 74 Cb 0.00 -3.46 0.06 0.00 0.56 0.00 0.00 36.38 33.54 1qsw s VAL 74 CO 0.00 -0.22 1.50 0.21 -0.31 0.00 0.00 175.10 176.29 1qsw s ASN 75 N -1.94 6.59 0.55 4.85 3.04 -1.26 -4.95 114.94 121.82 1qsw s ASN 75 Ca 0.67 -1.72 -0.21 0.00 0.04 0.00 0.00 52.86 51.64 1qsw s ASN 75 Cb -0.17 -2.56 -0.06 0.00 -1.54 0.00 0.00 41.25 36.92 1qsw s ASN 75 CO 0.21 -1.41 1.18 0.00 -3.04 0.00 0.00 177.10 174.04 1qsw n ALA 76 N 8.65 0.90 -1.94 1.71 0.00 -1.26 -4.73 120.51 123.84 1qsw n ALA 76 Ca 0.36 0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.51 1qsw n ALA 76 Cb 0.50 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 1qsw n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qsw n HIS 78 N 1.70 3.41 -3.81 0.00 8.25 -1.26 -4.74 115.22 118.76 1qsw n HIS 78 Ca -0.04 -2.94 -0.04 0.00 -0.26 0.00 0.00 57.72 54.45 1qsw n HIS 78 Cb 0.48 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.17 1qsw n HIS 78 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1qsw s LEU 79 N 1.68 -0.09 0.37 2.41 0.05 -1.26 -5.13 118.68 116.70 1qsw s LEU 79 Ca 0.45 -0.59 -0.01 0.00 0.05 0.00 0.00 54.13 54.04 1qsw s LEU 79 Cb 0.13 2.22 -0.03 0.00 -2.05 0.00 0.00 46.19 46.46 1qsw s LEU 79 CO -0.07 -1.03 0.59 -0.94 -0.55 0.00 0.00 176.35 174.35 1qsw s SER 80 N -3.12 6.30 0.40 1.48 1.04 -1.26 -4.76 113.70 113.77 1qsw s SER 80 Ca 0.16 0.55 0.13 0.00 0.48 0.00 0.00 55.95 57.27 1qsw s SER 80 Cb -0.02 -2.08 0.82 0.00 0.10 0.00 0.00 66.02 64.84 1qsw s SER 80 CO 0.04 -0.34 1.89 0.00 0.98 0.00 0.00 173.24 175.81 1qsw h SER 82 N 0.01 0.31 -0.02 0.00 0.02 -1.94 -1.79 113.55 110.14 1qsw h SER 82 Ca -0.00 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1qsw h SER 82 Cb 0.53 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1qsw h SER 82 CO 0.04 0.40 0.02 0.00 -1.14 0.00 0.00 176.83 176.15 1qsw h ALA 83 N 1.65 1.80 0.00 3.77 0.00 -1.78 -1.92 119.26 122.77 1qsw h ALA 83 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qsw h ALA 83 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qsw h ALA 83 CO 0.01 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.51 1qsw n LEU 84 N -4.20 0.00 -0.27 0.00 4.77 -0.67 -3.21 117.00 113.42 1qsw n LEU 84 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1qsw n LEU 84 Cb 0.11 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1qsw n LEU 84 CO 0.31 0.00 0.38 0.18 -1.33 0.00 0.00 177.39 176.93 1qsw n LEU 85 N -0.95 1.68 -4.77 2.23 4.77 -0.72 -3.67 117.00 115.57 1qsw n LEU 85 Ca 0.18 -1.16 -0.34 0.00 -0.03 0.00 0.00 56.01 54.65 1qsw n LEU 85 Cb 0.08 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1qsw n LEU 85 CO 0.13 0.37 0.77 -1.10 -1.33 0.00 0.00 177.39 176.23 1qsw s GLN 86 N -0.60 2.95 0.28 3.23 -0.21 -1.20 -4.39 119.66 119.72 1qsw s GLN 86 Ca 0.08 1.55 -0.01 0.00 0.02 0.00 0.00 55.36 57.00 1qsw s GLN 86 Cb 0.05 -1.96 0.46 0.00 1.00 0.00 0.00 33.01 32.57 1qsw s GLN 86 CO 0.08 -1.16 1.90 -0.44 -2.12 0.00 0.00 175.29 173.55 1qsw h ASP 87 N 0.49 0.98 -3.45 5.90 5.19 -1.93 -3.39 116.42 120.21 1qsw h ASP 87 Ca -0.48 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.32 1qsw h ASP 87 Cb 1.26 -0.21 -0.11 0.00 0.18 0.00 0.00 39.33 40.46 1qsw h ASP 87 CO 0.55 0.64 0.33 0.21 -3.12 0.00 0.00 179.24 177.85 1qsw s ASN 88 N -5.99 6.63 -0.01 6.45 3.84 -1.26 -4.93 114.94 119.67 1qsw s ASN 88 Ca -0.12 0.64 0.09 0.00 0.21 0.00 0.00 52.86 53.68 1qsw s ASN 88 Cb 0.20 -2.39 0.29 0.00 -0.55 0.00 0.00 41.25 38.80 1qsw s ASN 88 CO 0.81 -0.56 1.21 2.30 -2.79 0.00 0.00 177.10 178.06 1qsw n ILE 89 N 5.47 0.52 -0.08 -5.21 -5.35 -1.26 -4.46 119.36 108.98 1qsw n ILE 89 Ca 0.03 -0.44 -0.06 0.00 -0.27 0.00 0.00 62.75 62.00 1qsw n ILE 89 Cb 0.48 0.13 -0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1qsw n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qsw h ALA 90 N 3.49 0.23 -0.37 -1.28 0.00 -1.95 -1.24 119.26 118.14 1qsw h ALA 90 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qsw h ALA 90 Cb 0.51 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1qsw h ALA 90 CO 0.03 -0.44 0.20 -0.44 0.00 0.00 0.00 179.25 178.60 1qsw h ASP 91 N 0.03 0.47 -0.71 0.00 3.45 -1.90 -1.23 116.42 116.52 1qsw h ASP 91 Ca 0.15 -0.09 0.04 0.00 0.43 0.00 0.00 57.03 57.55 1qsw h ASP 91 Cb 0.22 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.82 1qsw h ASP 91 CO -0.29 0.42 0.44 0.00 -1.57 0.00 0.00 179.24 178.24 1qsw h ALA 92 N 1.06 0.93 -0.42 3.45 0.00 -1.73 0.03 119.26 122.59 1qsw h ALA 92 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1qsw h ALA 92 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qsw h ALA 92 CO -0.02 0.20 0.20 0.28 0.00 0.00 0.00 179.25 179.91 1qsw h VAL 93 N 0.85 1.18 -0.70 0.00 2.07 -0.98 0.48 116.25 119.14 1qsw h VAL 93 Ca 0.29 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1qsw h VAL 93 Cb 0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1qsw h VAL 93 CO -0.12 0.20 0.26 0.00 0.02 0.00 0.00 177.57 177.92 1qsw h ALA 94 N 1.04 1.12 -0.47 1.67 0.00 -0.87 0.83 119.26 122.60 1qsw h ALA 94 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1qsw h ALA 94 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qsw h ALA 94 CO -0.02 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.79 1qsw h ALA 96 N 0.90 1.44 -0.92 0.00 0.00 0.37 -1.86 119.26 119.18 1qsw h ALA 96 Ca 0.12 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1qsw h ALA 96 Cb 0.59 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1qsw h ALA 96 CO 0.04 0.47 0.60 0.87 0.00 0.00 0.00 179.25 181.23 1qsw h LYS 97 N 1.12 1.16 0.06 0.00 1.57 -0.57 -2.39 116.57 117.52 1qsw h LYS 97 Ca 0.36 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1qsw h LYS 97 Cb 0.02 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.07 1qsw h LYS 97 CO -0.11 0.77 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.42 1qsw h ARG 98 N 1.20 -0.08 -1.01 3.15 2.43 -1.01 -3.01 114.38 116.05 1qsw h ARG 98 Ca 0.36 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.65 1qsw h ARG 98 Cb -0.05 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.43 1qsw h ARG 98 CO -0.10 0.20 0.63 0.28 -1.51 0.00 0.00 179.97 179.47 1qsw h VAL 99 N -0.36 0.93 0.00 0.20 2.07 -1.23 0.58 116.25 118.44 1qsw h VAL 99 Ca -0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1qsw h VAL 99 Cb 0.32 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1qsw h VAL 99 CO 0.01 0.18 0.00 1.33 0.02 0.00 0.00 177.57 179.12 1qsw n VAL 100 N -4.61 0.64 0.17 2.57 0.24 -0.91 -2.15 118.33 114.26 1qsw n VAL 100 Ca 0.19 -0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.55 1qsw n VAL 100 Cb 0.35 -0.82 0.08 0.00 -1.47 0.00 0.00 33.84 31.98 1qsw n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1qsw h ARG 101 N 0.00 0.00 -7.28 7.34 3.08 -0.75 -3.37 114.38 113.41 1qsw h ARG 101 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 1qsw h ARG 101 Cb 0.51 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.74 1qsw h ARG 101 CO 0.00 0.33 0.22 -0.51 -1.07 0.00 0.00 179.97 178.94 1qsw s ASP 102 N -6.37 3.16 0.20 7.04 1.01 -0.92 -4.90 116.67 115.89 1qsw s ASP 102 Ca 0.05 1.90 -0.19 0.00 0.71 0.00 0.00 52.55 55.01 1qsw s ASP 102 Cb 0.07 -2.46 0.17 0.00 1.01 0.00 0.00 42.92 41.71 1qsw s ASP 102 CO 0.72 -2.90 1.58 1.55 0.21 0.00 0.00 175.17 176.32 1qsw h PRO 103 N -1.73 -0.10 0.00 8.23 0.13 -1.88 -2.41 132.00 134.25 1qsw h PRO 103 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1qsw h PRO 103 Cb 1.27 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1qsw h PRO 103 CO 0.47 -0.07 0.00 1.96 -0.23 0.00 0.00 178.00 180.14 1qsw h GLN 104 N -0.10 0.00 0.00 0.86 4.20 -1.91 -3.49 115.11 114.67 1qsw h GLN 104 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1qsw h GLN 104 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1qsw h GLN 104 CO -0.78 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.79 1qsw n GLY 105 N -0.67 1.88 0.15 3.46 0.00 -0.91 -2.17 105.19 106.93 1qsw n GLY 105 Ca -0.01 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1qsw n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qsw h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.92 -2.97 117.51 114.12 1qsw h ILE 106 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1qsw h ILE 106 Cb 0.00 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 1qsw h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 1qsw n ARG 107 N -2.35 0.19 0.11 2.19 1.74 -0.92 -2.46 116.66 115.15 1qsw n ARG 107 Ca 0.02 0.48 0.07 0.00 -0.77 0.00 0.00 57.85 57.65 1qsw n ARG 107 Cb 0.23 -1.91 0.37 0.00 -1.02 0.00 0.00 32.46 30.13 1qsw n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qsw n ALA 108 N -1.79 0.98 -3.74 7.54 0.00 -1.12 -4.28 120.51 118.09 1qsw n ALA 108 Ca 0.01 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1qsw n ALA 108 Cb 0.19 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1qsw n ALA 108 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1qsw s TRP 109 N -3.33 3.07 0.28 0.00 0.51 -1.03 -5.01 118.94 113.44 1qsw s TRP 109 Ca -0.02 -1.59 -0.03 0.00 -2.12 0.00 0.00 56.10 52.34 1qsw s TRP 109 Cb 0.04 -2.05 0.39 0.00 -0.81 0.00 0.00 33.47 31.04 1qsw s TRP 109 CO 0.12 -0.74 1.93 0.28 -0.51 0.00 0.00 176.95 178.04 1qsw h VAL 110 N 6.16 1.22 -0.80 4.03 2.07 -1.88 -2.27 116.25 124.78 1qsw h VAL 110 Ca -0.32 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1qsw h VAL 110 Cb 1.11 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1qsw h VAL 110 CO 0.57 0.23 0.53 0.00 0.02 0.00 0.00 177.57 178.92 1qsw h ALA 111 N 1.43 1.48 0.34 1.67 0.00 -1.94 0.37 119.26 122.60 1qsw h ALA 111 Ca 0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1qsw h ALA 111 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1qsw h ALA 111 CO -0.06 0.46 -0.16 2.35 0.00 0.00 0.00 179.25 181.84 1qsw h TRP 112 N 1.03 -0.42 -0.58 0.00 7.01 -1.73 0.42 115.95 121.68 1qsw h TRP 112 Ca 0.31 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.36 1qsw h TRP 112 Cb -0.03 0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.12 1qsw h TRP 112 CO -0.00 -0.18 0.28 0.00 -2.79 0.00 0.00 178.44 175.75 1qsw h ARG 113 N -0.59 0.51 0.02 2.65 3.08 -1.27 0.46 114.38 119.24 1qsw h ARG 113 Ca -0.05 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 1qsw h ARG 113 Cb 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1qsw h ARG 113 CO 0.08 0.34 -0.96 -0.91 -1.07 0.00 0.00 179.97 177.44 1qsw h ASN 114 N 0.52 0.20 -0.00 7.04 -0.26 -0.06 -3.36 115.58 119.66 1qsw h ASN 114 Ca 0.27 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1qsw h ASN 114 Cb 0.22 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1qsw h ASN 114 CO -0.20 1.05 -0.17 0.54 -1.06 0.00 0.00 177.43 177.58 1qsw n ARG 115 N -3.56 3.44 0.02 0.81 5.12 0.14 -4.87 116.66 117.76 1qsw n ARG 115 Ca -0.03 -0.29 -0.00 0.00 -1.93 0.00 0.00 57.85 55.60 1qsw n ARG 115 Cb 0.87 -0.88 -0.00 0.00 -1.16 0.00 0.00 32.46 31.29 1qsw n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qsw n GLN 117 N -3.26 0.51 -0.75 0.00 7.27 -0.20 -0.54 117.38 120.41 1qsw n GLN 117 Ca -0.01 0.18 0.00 0.00 0.07 0.00 0.00 57.00 57.25 1qsw n GLN 117 Cb 0.28 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.17 1qsw n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1qsw n ASN 118 N 2.89 -0.97 -4.96 1.69 3.02 -1.26 -4.96 115.26 110.71 1qsw n ASN 118 Ca 0.23 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.56 1qsw n ASN 118 Cb 0.09 -1.73 -0.02 0.00 -0.61 0.00 0.00 39.78 37.51 1qsw n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qsw s ARG 119 N -0.75 3.44 -0.25 3.52 0.52 0.30 -5.04 118.95 120.69 1qsw s ARG 119 Ca 0.00 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 1qsw s ARG 119 Cb 0.00 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1qsw s ARG 119 CO 0.00 0.42 1.64 0.34 0.02 0.00 0.00 175.30 177.72 1qsw s ASP 120 N -3.88 6.28 0.00 0.23 -1.08 -1.26 -4.82 116.67 112.14 1qsw s ASP 120 Ca 0.35 1.52 0.15 0.00 -0.52 0.00 0.00 52.55 54.05 1qsw s ASP 120 Cb -0.09 -2.53 0.27 0.00 -1.46 0.00 0.00 42.92 39.11 1qsw s ASP 120 CO 0.29 -1.36 1.17 1.33 0.52 0.00 0.00 175.17 177.13 1qsw n VAL 121 N 6.64 0.49 -0.14 1.11 0.24 -1.26 -4.63 118.33 120.79 1qsw n VAL 121 Ca 0.19 -0.75 0.15 0.00 -2.04 0.00 0.00 64.34 61.89 1qsw n VAL 121 Cb 0.46 0.92 0.51 0.00 -1.47 0.00 0.00 33.84 34.25 1qsw n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1qsw h ARG 122 N 2.91 0.39 -0.50 7.34 3.08 -1.92 -2.07 114.38 123.61 1qsw h ARG 122 Ca 0.00 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.17 1qsw h ARG 122 Cb 0.73 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1qsw h ARG 122 CO 0.00 0.26 0.36 -0.56 -1.07 0.00 0.00 179.97 178.96 1qsw h GLN 123 N 0.40 0.00 0.00 0.04 3.07 -1.96 -1.43 115.11 115.24 1qsw h GLN 123 Ca 0.34 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.00 1qsw h GLN 123 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.32 1qsw h GLN 123 CO -0.10 0.00 -0.39 1.88 0.09 0.00 0.00 178.83 180.30 1qsw h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.71 -3.34 116.97 112.03 1qsw h TYR 124 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1qsw h TYR 124 Cb 0.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1qsw h TYR 124 CO 0.00 0.39 -0.68 1.33 -1.05 0.00 0.00 178.16 178.15 1qsw n VAL 125 N -3.62 0.00 -1.63 -2.88 0.24 -0.90 -4.82 118.33 104.72 1qsw n VAL 125 Ca -0.01 -0.19 -0.47 0.00 -2.04 0.00 0.00 64.34 61.63 1qsw n VAL 125 Cb 0.50 0.67 -0.04 0.00 -1.47 0.00 0.00 33.84 33.50 1qsw n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qsw n GLN 126 N -1.35 1.62 -0.99 7.34 3.00 -0.59 -2.08 117.38 124.33 1qsw n GLN 126 Ca -0.00 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1qsw n GLN 126 Cb 0.02 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.08 1qsw n GLN 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qsw n GLY 127 N 2.26 0.57 0.84 1.08 0.00 -1.26 -4.90 105.19 103.79 1qsw n GLY 127 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1qsw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsw n GLY 129 N 1.32 -0.12 0.44 0.00 0.00 -1.26 -4.79 105.19 100.78 1qsw n GLY 129 Ca 0.15 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1qsw n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65