#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1quu n SER 2 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.94 113.62 111.91 1quu n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1quu n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1quu n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1quu n SER 3 N 0.00 0.00 0.20 -3.46 2.88 -1.26 -0.78 113.62 111.20 1quu n SER 3 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1quu n SER 3 Cb 0.00 0.00 0.82 0.00 -0.75 0.00 0.00 64.21 64.28 1quu n SER 3 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1quu h ASN 4 N 0.00 0.00 0.31 -3.46 -1.24 -1.99 1.12 115.58 110.32 1quu h ASN 4 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.85 1quu h ASN 4 Cb 0.00 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1quu h ASN 4 CO 0.00 0.00 -1.84 1.21 -1.29 0.00 0.00 177.43 175.51 1quu n GLU 5 N -3.59 0.65 -0.01 6.67 4.07 0.04 -3.57 120.64 124.90 1quu n GLU 5 Ca 0.03 0.02 -0.13 0.00 -0.06 0.00 0.00 57.16 57.01 1quu n GLU 5 Cb 0.41 -1.64 -0.10 0.00 -0.06 0.00 0.00 31.44 30.05 1quu n GLU 5 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1quu h ILE 6 N 0.00 1.37 -0.77 6.31 2.04 0.21 -1.26 117.51 125.41 1quu h ILE 6 Ca -0.21 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.60 1quu h ILE 6 Cb 1.54 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.70 1quu h ILE 6 CO 0.02 0.29 0.50 0.03 0.00 0.00 0.00 178.15 179.00 1quu h ARG 7 N -0.48 0.81 -0.04 2.37 3.08 0.76 0.18 114.38 121.06 1quu h ARG 7 Ca -0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1quu h ARG 7 Cb 0.48 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1quu h ARG 7 CO 0.00 0.53 -0.40 -0.09 -1.07 0.00 0.00 179.97 178.94 1quu h ARG 8 N 0.83 0.09 0.00 0.04 1.12 -1.58 -1.58 114.38 113.31 1quu h ARG 8 Ca 0.33 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 59.04 1quu h ARG 8 Cb 0.23 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.17 1quu h ARG 8 CO -0.11 0.48 -0.77 -0.07 -3.11 0.00 0.00 179.97 176.39 1quu h LEU 9 N 0.08 0.00 -0.27 3.80 3.38 0.43 -3.24 115.31 119.48 1quu h LEU 9 Ca 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1quu h LEU 9 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1quu h LEU 9 CO 0.06 0.51 -0.88 -0.33 0.09 0.00 0.00 178.44 177.89 1quu h GLU 10 N 0.00 0.19 0.17 1.13 5.08 -0.53 -2.95 114.58 117.68 1quu h GLU 10 Ca -0.05 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1quu h GLU 10 Cb 1.43 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.70 1quu h GLU 10 CO 0.06 0.96 -0.44 -0.09 -1.00 0.00 0.00 179.01 178.49 1quu h ARG 11 N 0.11 -0.69 -0.78 2.33 2.43 -1.32 0.38 114.38 116.84 1quu h ARG 11 Ca -0.04 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1quu h ARG 11 Cb 1.51 0.16 -0.15 0.00 -0.42 0.00 0.00 29.97 31.07 1quu h ARG 11 CO 0.13 -0.46 -0.21 -0.07 -1.51 0.00 0.00 179.97 177.85 1quu h LEU 12 N -0.71 -0.79 -0.57 3.80 3.38 -1.60 0.67 115.31 119.48 1quu h LEU 12 Ca 0.01 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1quu h LEU 12 Cb 0.71 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1quu h LEU 12 CO -0.22 -0.27 0.31 -0.33 0.09 0.00 0.00 178.44 178.02 1quu h GLU 13 N -0.01 0.57 -0.43 1.13 4.39 -0.97 -1.27 114.58 117.99 1quu h GLU 13 Ca 0.37 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1quu h GLU 13 Cb 0.58 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1quu h GLU 13 CO -0.81 0.38 0.28 0.45 -1.16 0.00 0.00 179.01 178.15 1quu h HIS 14 N 0.59 0.55 -0.22 4.33 3.86 0.41 -1.00 115.15 123.66 1quu h HIS 14 Ca 0.25 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 1quu h HIS 14 Cb 0.14 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.38 1quu h HIS 14 CO -0.09 0.35 -0.09 1.25 0.86 0.00 0.00 177.93 180.21 1quu h LEU 15 N 0.58 -0.30 -0.46 2.43 5.85 0.96 0.27 115.31 124.65 1quu h LEU 15 Ca 0.16 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1quu h LEU 15 Cb -0.06 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1quu h LEU 15 CO -0.03 -0.12 0.30 0.00 -0.34 0.00 0.00 178.44 178.25 1quu h ALA 16 N 1.14 0.58 -0.99 1.25 0.00 -1.09 0.69 119.26 120.85 1quu h ALA 16 Ca 0.11 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1quu h ALA 16 Cb 0.22 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1quu h ALA 16 CO -0.25 0.04 0.61 0.93 0.00 0.00 0.00 179.25 180.58 1quu h GLU 17 N 0.62 0.89 0.00 0.00 5.08 -0.24 2.25 114.58 123.19 1quu h GLU 17 Ca 0.17 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1quu h GLU 17 Cb -0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1quu h GLU 17 CO -0.04 0.59 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.02 1quu h LYS 18 N 0.92 0.00 -0.15 2.33 3.64 0.20 -2.76 116.57 120.75 1quu h LYS 18 Ca 0.51 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.79 1quu h LYS 18 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1quu h LYS 18 CO -0.30 0.33 -0.30 0.35 -2.27 0.00 0.00 179.45 177.26 1quu h PHE 19 N 0.00 0.59 -0.02 1.91 3.04 0.94 -3.18 116.94 120.22 1quu h PHE 19 Ca -0.00 -0.21 -0.04 0.00 3.98 0.00 0.00 57.97 61.70 1quu h PHE 19 Cb 0.62 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1quu h PHE 19 CO 0.00 0.93 -0.16 0.00 -2.02 0.00 0.00 178.31 177.06 1quu h ARG 20 N 0.09 0.03 0.35 1.11 3.08 -0.10 -0.32 114.38 118.60 1quu h ARG 20 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1quu h ARG 20 Cb 0.89 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1quu h ARG 20 CO 0.07 0.19 -0.17 0.37 -1.07 0.00 0.00 179.97 179.36 1quu h GLN 21 N 0.03 -0.45 -0.65 0.04 4.15 -1.51 0.41 115.11 117.13 1quu h GLN 21 Ca 0.00 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.55 1quu h GLN 21 Cb 0.30 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 1quu h GLN 21 CO 0.02 -0.30 0.28 0.87 -1.93 0.00 0.00 178.83 177.77 1quu h LYS 22 N -0.54 0.47 0.36 1.69 1.57 -1.52 0.01 116.57 118.61 1quu h LYS 22 Ca -0.05 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1quu h LYS 22 Cb 0.36 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1quu h LYS 22 CO 0.08 0.31 -0.31 0.00 -0.57 0.00 0.00 179.45 178.96 1quu h ALA 23 N 1.42 -0.69 -0.69 3.86 0.00 -1.06 -0.99 119.26 121.10 1quu h ALA 23 Ca 0.32 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1quu h ALA 23 Cb 0.37 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 1quu h ALA 23 CO -0.29 -0.92 -0.13 0.77 0.00 0.00 0.00 179.25 178.68 1quu h SER 24 N -0.69 -0.57 0.00 0.00 0.02 -0.01 -0.03 113.55 112.27 1quu h SER 24 Ca -0.03 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1quu h SER 24 Cb 0.61 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1quu h SER 24 CO -0.03 -0.21 0.00 0.41 -1.14 0.00 0.00 176.83 175.85 1quu n THR 25 N -5.43 0.00 -0.34 -2.27 -1.04 -0.09 -2.13 114.28 102.98 1quu n THR 25 Ca 0.09 1.29 0.16 0.00 -2.04 0.00 0.00 64.05 63.56 1quu n THR 25 Cb 0.37 -2.14 0.32 0.00 -1.82 0.00 0.00 70.33 67.06 1quu n THR 25 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1quu h HIS 26 N 0.00 0.06 -0.81 -1.42 6.17 -0.85 0.31 115.15 118.60 1quu h HIS 26 Ca 0.00 0.07 0.07 0.00 0.71 0.00 0.00 60.37 61.22 1quu h HIS 26 Cb 0.00 0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.00 1quu h HIS 26 CO -0.07 -0.43 0.48 0.93 0.71 0.00 0.00 177.93 179.55 1quu h GLU 27 N 0.02 0.83 -0.03 5.26 5.08 -0.88 -0.61 114.58 124.24 1quu h GLU 27 Ca 0.62 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.79 1quu h GLU 27 Cb 1.33 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1quu h GLU 27 CO -0.90 0.55 -0.62 1.79 -1.00 0.00 0.00 179.01 178.83 1quu h THR 28 N 0.86 1.42 -0.01 1.13 1.35 0.12 -2.97 112.91 114.81 1quu h THR 28 Ca 0.37 -2.08 -0.12 0.00 -0.55 0.00 0.00 66.41 64.02 1quu h THR 28 Cb 0.23 2.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 1quu h THR 28 CO -0.20 0.60 -0.56 -0.25 -0.25 0.00 0.00 175.52 174.87 1quu h TRP 29 N 0.09 0.05 -0.41 4.73 7.01 -0.57 -2.96 115.95 123.89 1quu h TRP 29 Ca -0.01 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1quu h TRP 29 Cb 1.12 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 1quu h TRP 29 CO 0.01 0.59 0.00 0.00 -2.79 0.00 0.00 178.44 176.25 1quu n ALA 30 N -2.44 2.44 -1.77 2.65 0.00 -0.33 -4.79 120.51 116.28 1quu n ALA 30 Ca -0.01 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 52.26 1quu n ALA 30 Cb 0.57 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1quu n ALA 30 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1quu s TYR 31 N -1.46 3.05 0.00 0.00 5.04 -1.12 -3.17 117.35 119.69 1quu s TYR 31 Ca 0.32 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 1quu s TYR 31 Cb 0.17 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.99 1quu s TYR 31 CO 0.23 -1.51 0.00 0.41 -1.34 0.00 0.00 175.55 173.34 1quu n GLY 32 N 0.72 0.01 0.37 8.97 0.00 -1.26 -4.74 105.19 109.25 1quu n GLY 32 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1quu n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1quu h LYS 33 N 0.00 0.62 0.18 1.61 1.57 -1.85 -0.32 116.57 118.38 1quu h LYS 33 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1quu h LYS 33 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1quu h LYS 33 CO 0.00 0.41 -0.13 0.93 -0.57 0.00 0.00 179.45 180.09 1quu h GLU 34 N 0.64 -0.30 -0.63 3.15 5.08 -1.85 0.12 114.58 120.78 1quu h GLU 34 Ca 0.38 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1quu h GLU 34 Cb 0.60 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 1quu h GLU 34 CO -0.15 -0.20 0.36 1.96 -1.00 0.00 0.00 179.01 179.98 1quu h GLN 35 N -0.31 0.67 -0.26 2.33 7.50 -1.65 0.15 115.11 123.54 1quu h GLN 35 Ca -0.01 -0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.11 1quu h GLN 35 Cb 0.28 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 1quu h GLN 35 CO -0.00 0.44 0.17 0.82 -1.50 0.00 0.00 178.83 178.76 1quu h ILE 36 N 0.69 1.04 0.00 2.54 2.04 -0.51 -2.10 117.51 121.21 1quu h ILE 36 Ca 0.27 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1quu h ILE 36 Cb 0.12 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1quu h ILE 36 CO -0.15 0.06 -0.54 -0.07 0.00 0.00 0.00 178.15 177.45 1quu h LEU 37 N 0.31 0.00 -1.56 1.44 3.38 0.16 -3.27 115.31 115.78 1quu h LEU 37 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1quu h LEU 37 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1quu h LEU 37 CO -0.02 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.70 1quu n LEU 38 N -2.76 2.40 -4.76 1.67 4.77 0.30 -4.74 117.00 113.88 1quu n LEU 38 Ca 0.02 -0.84 -0.36 0.00 -0.03 0.00 0.00 56.01 54.79 1quu n LEU 38 Cb 0.53 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1quu n LEU 38 CO 0.37 0.42 0.85 -1.58 -1.33 0.00 0.00 177.39 176.12 1quu s GLN 39 N -1.93 3.07 -0.75 3.23 0.74 -0.85 -5.01 119.66 118.16 1quu s GLN 39 Ca 0.33 1.84 0.03 0.00 0.05 0.00 0.00 55.36 57.61 1quu s GLN 39 Cb 0.20 -1.99 0.18 0.00 1.10 0.00 0.00 33.01 32.50 1quu s GLN 39 CO 0.31 -1.13 0.57 0.15 -0.55 0.00 0.00 175.29 174.64 1quu s LYS 40 N -3.25 2.68 -0.20 1.67 -0.14 -1.26 -4.90 119.74 114.35 1quu s LYS 40 Ca 0.76 -3.29 0.15 0.00 -1.36 0.00 0.00 55.97 52.23 1quu s LYS 40 Cb -0.31 -3.58 0.53 0.00 -1.68 0.00 0.00 37.83 32.80 1quu s LYS 40 CO 0.34 -1.27 1.44 -0.40 -0.76 0.00 0.00 175.35 174.70 1quu n ASP 41 N 2.14 3.71 0.00 2.83 5.75 -1.26 -4.56 116.55 125.16 1quu n ASP 41 Ca 0.19 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.84 1quu n ASP 41 Cb 0.35 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1quu n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1quu n TYR 42 N -0.60 0.00 0.25 2.11 4.11 -1.26 -4.58 117.16 117.19 1quu n TYR 42 Ca 0.24 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.26 1quu n TYR 42 Cb 0.93 0.00 0.65 0.00 -0.00 0.00 0.00 39.34 40.93 1quu n TYR 42 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 1quu h GLU 43 N 0.00 0.00 0.00 -3.48 5.08 -2.00 -3.04 114.58 111.13 1quu h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1quu h GLU 43 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1quu h GLU 43 CO 0.00 0.15 -1.28 -1.13 -1.00 0.00 0.00 179.01 175.75 1quu n SER 44 N -3.50 1.64 -4.21 1.42 3.41 -1.26 -4.86 113.62 106.25 1quu n SER 44 Ca -0.01 -0.24 -0.34 0.00 -0.26 0.00 0.00 58.87 58.02 1quu n SER 44 Cb 0.30 1.41 0.10 0.00 -0.26 0.00 0.00 64.21 65.76 1quu n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1quu n ALA 45 N -1.74 -4.23 -2.09 7.33 0.00 -1.15 -5.04 120.51 113.58 1quu n ALA 45 Ca -0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 52.29 1quu n ALA 45 Cb 0.29 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1quu n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1quu s SER 46 N -1.57 5.40 0.34 0.00 1.04 -1.26 -4.89 113.70 112.75 1quu s SER 46 Ca 0.49 -0.57 0.06 0.00 0.48 0.00 0.00 55.95 56.41 1quu s SER 46 Cb -0.12 -0.57 0.72 0.00 0.10 0.00 0.00 66.02 66.15 1quu s SER 46 CO 0.70 -0.75 1.89 0.25 0.98 0.00 0.00 173.24 176.32 1quu h LEU 47 N 0.77 0.73 0.00 2.42 5.85 -1.94 -1.05 115.31 122.09 1quu h LEU 47 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1quu h LEU 47 Cb 1.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1quu h LEU 47 CO 0.50 0.42 0.00 0.41 -0.34 0.00 0.00 178.44 179.42 1quu n THR 48 N -4.53 0.00 -0.34 1.05 -1.04 -1.26 -2.28 114.28 105.88 1quu n THR 48 Ca 0.15 1.28 -0.09 0.00 -2.04 0.00 0.00 64.05 63.35 1quu n THR 48 Cb 0.35 -2.27 -0.08 0.00 -1.82 0.00 0.00 70.33 66.52 1quu n THR 48 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1quu n GLU 49 N -1.87 -0.36 -0.28 -2.82 1.02 -1.08 0.05 120.64 115.30 1quu n GLU 49 Ca 0.00 1.39 0.09 0.00 -0.02 0.00 0.00 57.16 58.63 1quu n GLU 49 Cb 0.00 -2.05 0.23 0.00 -0.02 0.00 0.00 31.44 29.60 1quu n GLU 49 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1quu h VAL 50 N 0.00 0.36 0.00 2.62 2.07 -1.30 2.63 116.25 122.64 1quu h VAL 50 Ca 0.13 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1quu h VAL 50 Cb 0.33 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1quu h VAL 50 CO -0.77 0.04 -0.01 0.03 0.02 0.00 0.00 177.57 176.88 1quu h ARG 51 N 0.20 0.00 -0.22 1.57 3.08 0.06 0.89 114.38 119.96 1quu h ARG 51 Ca 0.49 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.35 1quu h ARG 51 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1quu h ARG 51 CO -0.63 0.01 -0.60 0.00 -1.07 0.00 0.00 179.97 177.69 1quu h ALA 52 N 1.99 0.37 0.47 0.04 0.00 0.54 -3.10 119.26 119.56 1quu h ALA 52 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1quu h ALA 52 Cb 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1quu h ALA 52 CO 0.00 0.62 -0.22 -0.07 0.00 0.00 0.00 179.25 179.58 1quu h LEU 53 N 0.54 -0.53 -0.86 0.00 3.38 0.21 -0.32 115.31 117.74 1quu h LEU 53 Ca -0.01 -0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.13 1quu h LEU 53 Cb 1.22 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 1quu h LEU 53 CO 0.13 -0.29 0.31 -0.07 0.09 0.00 0.00 178.44 178.61 1quu h LEU 54 N -0.75 0.17 -1.04 1.67 3.38 -1.41 1.35 115.31 118.68 1quu h LEU 54 Ca -0.06 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1quu h LEU 54 Cb 0.54 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1quu h LEU 54 CO 0.11 -0.06 0.33 0.03 0.09 0.00 0.00 178.44 178.94 1quu h ARG 55 N 0.31 1.01 0.00 1.13 -0.00 -1.35 -0.30 114.38 115.19 1quu h ARG 55 Ca 0.53 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.98 59.74 1quu h ARG 55 Cb 1.02 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.78 1quu h ARG 55 CO -0.57 0.79 -0.64 0.87 0.00 0.00 0.00 179.97 180.42 1quu h LYS 56 N 1.01 0.00 0.00 0.04 1.57 0.12 -3.08 116.57 116.22 1quu h LYS 56 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1quu h LYS 56 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1quu h LYS 56 CO -0.03 0.59 0.00 1.25 -0.57 0.00 0.00 179.45 180.69 1quu h HIS 57 N 0.00 0.00 0.00 -1.35 2.76 0.27 -1.48 115.15 115.35 1quu h HIS 57 Ca -0.01 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.94 1quu h HIS 57 Cb 1.47 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.40 1quu h HIS 57 CO 0.00 0.00 -1.08 0.93 -1.30 0.00 0.00 177.93 176.48 1quu h GLU 58 N 0.00 0.00 0.15 5.26 5.08 -1.01 -1.64 114.58 122.42 1quu h GLU 58 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1quu h GLU 58 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1quu h GLU 58 CO 0.00 0.85 -0.07 0.00 -1.00 0.00 0.00 179.01 178.79 1quu h ALA 59 N 1.06 -0.20 -0.97 3.43 0.00 -1.28 -0.91 119.26 120.39 1quu h ALA 59 Ca -0.06 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1quu h ALA 59 Cb 1.77 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 1quu h ALA 59 CO 0.11 -0.47 0.63 0.35 0.00 0.00 0.00 179.25 179.87 1quu h PHE 60 N -0.48 1.18 0.00 0.00 3.04 -1.39 -0.84 116.94 118.46 1quu h PHE 60 Ca -0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1quu h PHE 60 Cb 0.37 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1quu h PHE 60 CO 0.02 0.68 0.00 0.93 -2.02 0.00 0.00 178.31 177.92 1quu h GLU 61 N 1.22 0.00 0.07 1.11 5.08 -1.07 -1.31 114.58 119.69 1quu h GLU 61 Ca 0.38 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.43 1quu h GLU 61 Cb -0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1quu h GLU 61 CO -0.12 0.00 -1.75 0.66 -1.00 0.00 0.00 179.01 176.80 1quu h SER 62 N 0.00 0.24 -0.19 1.42 4.64 0.17 -2.88 113.55 116.96 1quu h SER 62 Ca 0.00 -0.47 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1quu h SER 62 Cb 0.44 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1quu h SER 62 CO 0.00 1.41 -0.14 -0.78 -0.87 0.00 0.00 176.83 176.45 1quu h ASP 63 N 0.04 0.57 0.38 4.97 3.58 -1.01 -2.98 116.42 121.98 1quu h ASP 63 Ca -0.32 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 1quu h ASP 63 Cb 2.02 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.92 1quu h ASP 63 CO 0.10 0.74 -0.18 0.25 -2.88 0.00 0.00 179.24 177.27 1quu h LEU 64 N 0.53 -0.44 -1.12 2.28 5.85 -1.32 -2.92 115.31 118.17 1quu h LEU 64 Ca 0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1quu h LEU 64 Cb 0.56 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1quu h LEU 64 CO 0.04 -0.26 0.50 0.00 -0.34 0.00 0.00 178.44 178.38 1quu h ALA 65 N -1.66 1.45 0.19 1.25 0.00 -1.55 0.17 119.26 119.11 1quu h ALA 65 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1quu h ALA 65 Cb 0.40 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1quu h ALA 65 CO 0.09 -0.45 -1.40 0.00 0.00 0.00 0.00 179.25 177.48 1quu h ALA 66 N 0.90 -0.00 -0.00 0.00 0.00 -1.35 -3.30 119.26 115.51 1quu h ALA 66 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1quu h ALA 66 Cb 1.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1quu h ALA 66 CO 0.00 0.87 -0.03 0.72 0.00 0.00 0.00 179.25 180.80 1quu n HIS 67 N -3.61 0.00 -0.28 0.00 -0.00 0.59 -3.53 115.22 108.38 1quu n HIS 67 Ca -0.14 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.74 1quu n HIS 67 Cb 1.07 -0.35 0.42 0.00 -0.00 0.00 0.00 29.99 31.12 1quu n HIS 67 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1quu h GLN 68 N 0.05 0.58 0.12 -0.41 5.75 -1.61 -0.74 115.11 118.86 1quu h GLN 68 Ca 0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1quu h GLN 68 Cb 0.38 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.80 1quu h GLN 68 CO 0.00 0.38 -0.06 0.22 -2.65 0.00 0.00 178.83 176.72 1quu h ASP 69 N 0.60 -0.14 -0.95 -0.69 1.82 -1.81 -1.45 116.42 113.80 1quu h ASP 69 Ca 0.50 -0.19 0.14 0.00 -0.39 0.00 0.00 57.03 57.09 1quu h ASP 69 Cb 0.96 0.04 -0.08 0.00 0.68 0.00 0.00 39.33 40.93 1quu h ASP 69 CO -0.24 0.11 0.60 0.03 -1.61 0.00 0.00 179.24 178.13 1quu h ARG 70 N -0.40 0.78 -0.38 0.28 -0.00 -1.40 0.30 114.38 113.56 1quu h ARG 70 Ca -0.02 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.98 59.34 1quu h ARG 70 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 1quu h ARG 70 CO 0.03 0.51 -0.05 0.28 0.00 0.00 0.00 179.97 180.74 1quu h VAL 71 N 0.80 1.27 -0.11 2.04 2.07 -0.91 -1.16 116.25 120.25 1quu h VAL 71 Ca 0.49 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1quu h VAL 71 Cb 0.69 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1quu h VAL 71 CO -0.25 0.37 -0.32 -0.33 0.02 0.00 0.00 177.57 177.05 1quu h GLU 72 N 0.51 0.22 0.23 1.57 5.08 -0.14 -1.68 114.58 120.37 1quu h GLU 72 Ca 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1quu h GLU 72 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1quu h GLU 72 CO 0.03 0.52 -0.11 1.96 -1.00 0.00 0.00 179.01 180.41 1quu h GLN 73 N 0.19 -0.29 -0.69 2.33 4.20 -0.74 -0.28 115.11 119.83 1quu h GLN 73 Ca 0.03 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.90 1quu h GLN 73 Cb 0.67 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 28.40 1quu h GLN 73 CO 0.05 -0.02 0.08 0.82 -0.67 0.00 0.00 178.83 179.09 1quu h ILE 74 N -0.56 0.48 -0.79 2.54 2.04 -1.03 0.05 117.51 120.25 1quu h ILE 74 Ca -0.03 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1quu h ILE 74 Cb 0.41 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1quu h ILE 74 CO 0.05 0.03 0.33 0.00 0.00 0.00 0.00 178.15 178.56 1quu h ALA 75 N 1.60 1.09 -0.28 1.87 0.00 -1.11 -2.42 119.26 120.01 1quu h ALA 75 Ca 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1quu h ALA 75 Cb 0.63 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1quu h ALA 75 CO -0.53 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.47 1quu h ALA 76 N 1.22 0.37 -0.50 0.00 0.00 0.81 0.61 119.26 121.76 1quu h ALA 76 Ca 0.26 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1quu h ALA 76 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1quu h ALA 76 CO -0.02 -0.02 0.15 0.82 0.00 0.00 0.00 179.25 180.18 1quu h ILE 77 N 0.30 1.23 -0.03 0.00 2.04 -1.18 0.73 117.51 120.59 1quu h ILE 77 Ca 0.09 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1quu h ILE 77 Cb 0.21 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1quu h ILE 77 CO -0.01 0.29 -0.25 0.00 0.00 0.00 0.00 178.15 178.19 1quu h ALA 78 N 1.01 1.53 -0.22 1.87 0.00 -1.33 -0.26 119.26 121.87 1quu h ALA 78 Ca 0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1quu h ALA 78 Cb 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1quu h ALA 78 CO -0.00 0.35 -0.21 0.37 0.00 0.00 0.00 179.25 179.76 1quu h GLN 79 N 0.05 0.53 0.35 0.00 4.15 -0.05 -2.35 115.11 117.79 1quu h GLN 79 Ca 0.01 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.14 1quu h GLN 79 Cb 0.47 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1quu h GLN 79 CO 0.03 0.86 -0.17 1.49 -1.93 0.00 0.00 178.83 179.11 1quu h GLU 80 N 0.22 -0.45 -0.71 1.69 4.81 -0.31 -2.17 114.58 117.66 1quu h GLU 80 Ca 0.04 0.03 0.21 0.00 -0.13 0.00 0.00 59.36 59.50 1quu h GLU 80 Cb 0.75 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1quu h GLU 80 CO 0.05 -0.21 0.59 -0.07 -0.73 0.00 0.00 179.01 178.64 1quu h LEU 81 N -0.62 0.00 -0.02 1.64 3.38 -1.11 0.33 115.31 118.91 1quu h LEU 81 Ca -0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1quu h LEU 81 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1quu h LEU 81 CO 0.08 0.00 -0.65 0.78 0.09 0.00 0.00 178.44 178.74 1quu h ASN 82 N 0.00 0.61 0.63 -0.43 -0.26 -1.01 0.28 115.58 115.41 1quu h ASN 82 Ca 0.34 -0.73 -0.12 0.00 -0.56 0.00 0.00 56.30 55.22 1quu h ASN 82 Cb 1.51 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 38.57 1quu h ASN 82 CO -0.00 1.26 -0.58 -0.33 -1.06 0.00 0.00 177.43 176.72 1quu h GLU 83 N 0.02 0.00 -0.41 0.81 5.08 -0.22 -2.24 114.58 117.62 1quu h GLU 83 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1quu h GLU 83 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1quu h GLU 83 CO 0.13 0.58 0.00 1.28 -1.00 0.00 0.00 179.01 180.00 1quu n LEU 84 N -3.79 2.18 -3.42 1.33 4.77 0.89 -4.92 117.00 114.05 1quu n LEU 84 Ca -0.01 -1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 54.63 1quu n LEU 84 Cb 0.59 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1quu n LEU 84 CO 0.41 0.54 0.11 0.47 -1.33 0.00 0.00 177.39 177.59 1quu n ASP 85 N 0.68 -5.83 -4.38 -1.43 9.92 -0.84 -4.92 116.55 109.74 1quu n ASP 85 Ca 0.14 -0.48 -0.40 0.00 -0.53 0.00 0.00 54.79 53.52 1quu n ASP 85 Cb 0.35 -4.66 0.02 0.00 -0.64 0.00 0.00 41.12 36.19 1quu n ASP 85 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1quu n TYR 86 N -4.70 -1.40 0.30 1.24 -0.00 0.98 -4.81 117.16 108.77 1quu n TYR 86 Ca -0.03 0.52 0.14 0.00 -0.00 0.00 0.00 57.90 58.53 1quu n TYR 86 Cb 0.57 -1.87 0.44 0.00 -0.00 0.00 0.00 39.34 38.49 1quu n TYR 86 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.86 177.98 1quu h HIS 87 N 0.35 0.00 -0.39 2.98 2.07 -1.91 -3.13 115.15 115.12 1quu h HIS 87 Ca -0.42 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 56.86 1quu h HIS 87 Cb 1.42 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 31.24 1quu h HIS 87 CO 0.30 0.00 -0.25 -3.47 -3.07 0.00 0.00 177.93 171.44 1quu n ASP 88 N -2.95 3.07 -0.00 3.10 2.03 -1.26 -4.79 116.55 115.76 1quu n ASP 88 Ca 0.02 -3.82 -0.04 0.00 0.52 0.00 0.00 54.79 51.48 1quu n ASP 88 Cb 0.40 -0.58 0.18 0.00 -0.72 0.00 0.00 41.12 40.39 1quu n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1quu h ALA 89 N 1.28 1.05 -0.92 -1.67 0.00 -1.86 -2.56 119.26 114.57 1quu h ALA 89 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1quu h ALA 89 Cb 1.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1quu h ALA 89 CO 0.45 0.58 0.56 0.28 0.00 0.00 0.00 179.25 181.12 1quu h VAL 90 N 0.47 1.25 0.52 0.00 2.07 -1.88 0.38 116.25 119.06 1quu h VAL 90 Ca 0.07 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1quu h VAL 90 Cb 0.69 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1quu h VAL 90 CO 0.05 0.26 -0.25 -1.13 0.02 0.00 0.00 177.57 176.53 1quu h ASN 91 N 1.27 -0.59 -0.74 0.57 -0.73 -1.89 -0.06 115.58 113.41 1quu h ASN 91 Ca 0.33 -0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 1quu h ASN 91 Cb -0.07 0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 1quu h ASN 91 CO -0.06 -0.28 0.44 -0.37 -0.37 0.00 0.00 177.43 176.79 1quu h VAL 92 N -0.90 1.21 -0.69 2.57 -1.51 -1.27 -0.74 116.25 114.92 1quu h VAL 92 Ca -0.07 -0.49 0.01 0.00 -1.23 0.00 0.00 66.70 64.92 1quu h VAL 92 Cb 0.61 0.17 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 1quu h VAL 92 CO 0.12 0.23 0.45 -1.13 -1.23 0.00 0.00 177.57 176.01 1quu h ASN 93 N 1.03 0.79 -0.57 4.19 -0.73 -0.15 0.18 115.58 120.32 1quu h ASN 93 Ca 0.27 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.36 1quu h ASN 93 Cb -0.02 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.34 1quu h ASN 93 CO -0.05 0.57 0.16 -0.78 -0.37 0.00 0.00 177.43 176.96 1quu h ASP 94 N 0.93 0.89 -0.07 1.15 1.82 -0.05 0.32 116.42 121.41 1quu h ASP 94 Ca 0.25 -0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1quu h ASP 94 Cb -0.11 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 39.67 1quu h ASP 94 CO -0.05 0.86 -0.06 -0.09 -1.61 0.00 0.00 179.24 178.29 1quu h ARG 95 N 0.91 0.16 -0.65 0.28 9.65 -0.73 -1.88 114.38 122.12 1quu h ARG 95 Ca 0.20 -0.08 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 1quu h ARG 95 Cb 0.31 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.83 1quu h ARG 95 CO -0.00 0.58 0.34 0.00 2.80 0.00 0.00 179.97 183.68 1quu h GLN 97 N 0.61 1.09 -0.02 0.00 5.75 -0.30 0.71 115.11 122.94 1quu h GLN 97 Ca 0.30 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 1quu h GLN 97 Cb 0.25 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 1quu h GLN 97 CO -0.21 0.76 -0.29 -0.22 -2.65 0.00 0.00 178.83 176.22 1quu h LYS 98 N 1.10 0.04 -0.02 1.69 3.64 -0.91 0.15 116.57 122.27 1quu h LYS 98 Ca 0.29 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.62 1quu h LYS 98 Cb -0.06 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1quu h LYS 98 CO -0.06 0.33 -0.15 0.82 -2.27 0.00 0.00 179.45 178.12 1quu h ILE 99 N 0.04 1.52 -0.55 2.00 2.04 -0.57 -2.75 117.51 119.25 1quu h ILE 99 Ca 0.00 -1.74 -0.05 0.00 1.00 0.00 0.00 64.86 64.08 1quu h ILE 99 Cb 0.53 2.60 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 1quu h ILE 99 CO 0.04 0.47 0.14 0.00 0.00 0.00 0.00 178.15 178.80 1quu h ASP 101 N 0.81 0.87 -0.68 0.00 3.32 -1.03 -1.78 116.42 117.94 1quu h ASP 101 Ca 0.18 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1quu h ASP 101 Cb 0.29 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1quu h ASP 101 CO -0.00 0.82 0.28 -0.61 -1.72 0.00 0.00 179.24 178.01 1quu h GLN 102 N 0.87 1.01 -0.14 3.56 4.15 -1.12 -2.63 115.11 120.82 1quu h GLN 102 Ca 0.20 -0.18 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1quu h GLN 102 Cb 0.24 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1quu h GLN 102 CO -0.01 0.83 -0.14 2.35 -1.93 0.00 0.00 178.83 179.93 1quu h TRP 103 N 0.96 -0.37 -0.85 3.99 2.91 -0.23 -0.36 115.95 122.00 1quu h TRP 103 Ca 0.23 0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.39 1quu h TRP 103 Cb 0.19 0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.96 1quu h TRP 103 CO 0.01 -0.21 0.55 -0.44 -1.03 0.00 0.00 178.44 177.32 1quu h ASP 104 N -0.17 0.67 -0.34 2.65 3.32 -1.00 -0.98 116.42 120.58 1quu h ASP 104 Ca 0.10 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1quu h ASP 104 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1quu h ASP 104 CO -0.24 0.37 -0.31 0.03 -1.72 0.00 0.00 179.24 177.37 1quu h ARG 105 N 0.73 0.80 -0.97 3.56 3.08 -0.97 -1.83 114.38 118.78 1quu h ARG 105 Ca 0.41 -0.41 0.11 0.00 0.07 0.00 0.00 59.98 60.16 1quu h ARG 105 Cb 0.57 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.55 1quu h ARG 105 CO -0.17 1.04 0.60 -0.07 -1.07 0.00 0.00 179.97 180.30 1quu h LEU 106 N 0.58 0.89 0.34 3.04 3.38 -0.08 0.48 115.31 123.94 1quu h LEU 106 Ca 0.06 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1quu h LEU 106 Cb 0.88 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1quu h LEU 106 CO 0.08 0.48 -0.38 1.23 0.09 0.00 0.00 178.44 179.93 1quu h GLY 107 N 0.97 -0.88 0.38 0.83 0.00 -0.83 0.32 103.07 103.85 1quu h GLY 107 Ca 0.48 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 48.24 1quu h GLY 107 CO -0.26 -0.30 -0.37 -0.84 0.00 0.00 0.00 176.54 174.76 1quu h THR 108 N -0.76 0.00 -0.64 4.70 2.02 -0.14 -1.32 112.91 116.77 1quu h THR 108 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 1quu h THR 108 Cb 0.70 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.98 1quu h THR 108 CO -0.09 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.50 1quu h LEU 109 N -0.75 -0.82 -0.32 2.58 3.38 -0.05 0.21 115.31 119.54 1quu h LEU 109 Ca -0.05 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1quu h LEU 109 Cb 0.64 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1quu h LEU 109 CO -0.04 -0.26 -0.00 0.74 0.09 0.00 0.00 178.44 178.97 1quu h THR 110 N -0.07 0.76 0.00 0.22 2.02 -0.09 0.17 112.91 115.93 1quu h THR 110 Ca 0.29 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 1quu h THR 110 Cb 0.52 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1quu h THR 110 CO -0.68 0.02 -0.12 -0.61 0.37 0.00 0.00 175.52 174.50 1quu h GLN 111 N 0.09 0.00 -0.14 6.66 4.15 -0.04 -2.35 115.11 123.49 1quu h GLN 111 Ca 0.16 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.48 1quu h GLN 111 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1quu h GLN 111 CO -0.26 0.12 -0.28 -0.22 -1.93 0.00 0.00 178.83 176.26 1quu h LYS 112 N 0.00 0.43 -0.77 1.69 1.63 0.12 -2.56 116.57 117.11 1quu h LYS 112 Ca -0.00 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 1quu h LYS 112 Cb 0.23 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1quu h LYS 112 CO 0.02 0.88 0.42 -0.09 -3.45 0.00 0.00 179.45 177.23 1quu h ARG 113 N 0.03 1.06 -0.68 1.90 2.43 -0.44 -0.67 114.38 118.01 1quu h ARG 113 Ca 0.00 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1quu h ARG 113 Cb 0.87 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1quu h ARG 113 CO 0.06 0.78 0.25 -0.09 -1.51 0.00 0.00 179.97 179.46 1quu h ARG 114 N 1.07 1.04 -0.44 0.20 2.43 -1.42 -1.20 114.38 116.07 1quu h ARG 114 Ca 0.27 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1quu h ARG 114 Cb 0.02 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1quu h ARG 114 CO -0.04 0.88 -0.22 0.93 -1.51 0.00 0.00 179.97 180.00 1quu h GLU 115 N 0.98 0.93 -0.48 0.20 5.08 -0.98 0.11 114.58 120.43 1quu h GLU 115 Ca 0.22 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1quu h GLU 115 Cb 0.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1quu h GLU 115 CO -0.01 1.07 0.11 0.00 -1.00 0.00 0.00 179.01 179.17 1quu h ALA 116 N 0.83 1.30 -0.20 3.43 0.00 -0.93 -2.24 119.26 121.46 1quu h ALA 116 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1quu h ALA 116 Cb 0.80 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1quu h ALA 116 CO 0.07 0.49 -0.35 -0.07 0.00 0.00 0.00 179.25 179.39 1quu h LEU 117 N 0.70 0.65 -1.91 0.00 3.38 -0.91 -1.72 115.31 115.50 1quu h LEU 117 Ca 0.16 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1quu h LEU 117 Cb 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1quu h LEU 117 CO -0.00 1.06 -0.10 -0.33 0.09 0.00 0.00 178.44 179.16 1quu h GLU 118 N 0.26 0.00 0.00 1.13 5.08 -0.61 -0.26 114.58 120.18 1quu h GLU 118 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1quu h GLU 118 Cb 0.94 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 1quu h GLU 118 CO 0.08 0.10 -1.78 2.89 -1.00 0.00 0.00 179.01 179.30 1quu n ARG 119 N -3.50 0.64 0.16 2.33 1.85 -0.86 -3.09 116.66 114.19 1quu n ARG 119 Ca -0.01 0.23 0.02 0.00 -1.00 0.00 0.00 57.85 57.08 1quu n ARG 119 Cb 0.24 -1.75 0.23 0.00 -1.05 0.00 0.00 32.46 30.14 1quu n ARG 119 CO 0.00 0.00 0.00 1.98 -0.01 0.00 0.00 177.63 179.60 1quu h MET 120 N 0.00 0.00 -0.36 2.89 4.05 -0.88 -1.64 114.93 118.99 1quu h MET 120 Ca -0.31 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 58.96 1quu h MET 120 Cb 1.97 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.76 1quu h MET 120 CO 0.06 0.52 -0.38 1.49 0.23 0.00 0.00 176.91 178.84 1quu h GLU 121 N 0.00 0.89 -0.39 0.39 4.81 -1.15 -0.78 114.58 118.34 1quu h GLU 121 Ca -0.01 -0.48 -0.11 0.00 -0.13 0.00 0.00 59.36 58.64 1quu h GLU 121 Cb 1.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1quu h GLU 121 CO 0.07 1.12 -0.22 -0.22 -0.73 0.00 0.00 179.01 179.03 1quu h LYS 122 N 0.69 0.77 0.48 1.92 3.64 -1.43 0.81 116.57 123.45 1quu h LYS 122 Ca 0.05 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1quu h LYS 122 Cb 0.97 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1quu h LYS 122 CO 0.09 0.92 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.89 1quu h LEU 123 N 0.67 -0.54 -0.58 5.20 3.38 -1.19 0.17 115.31 122.41 1quu h LEU 123 Ca 0.09 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1quu h LEU 123 Cb 0.72 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1quu h LEU 123 CO 0.06 -0.17 0.12 -0.07 0.09 0.00 0.00 178.44 178.47 1quu h LEU 124 N -0.99 0.01 0.65 1.67 4.07 -1.04 0.51 115.31 120.18 1quu h LEU 124 Ca -0.07 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1quu h LEU 124 Cb 0.59 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 1quu h LEU 124 CO 0.11 0.02 -0.44 -0.08 -1.08 0.00 0.00 178.44 176.97 1quu h GLU 125 N 0.26 -1.00 -0.73 1.13 4.57 0.73 -2.03 114.58 117.51 1quu h GLU 125 Ca 0.30 0.07 0.11 0.00 -1.18 0.00 0.00 59.36 58.65 1quu h GLU 125 Cb 0.43 0.23 -0.12 0.00 -0.16 0.00 0.00 28.75 29.12 1quu h GLU 125 CO -0.38 -0.67 -0.42 1.15 -1.18 0.00 0.00 179.01 177.51 1quu h THR 126 N -1.04 0.07 -0.41 0.32 2.02 0.05 0.49 112.91 114.41 1quu h THR 126 Ca -0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.19 1quu h THR 126 Cb 0.85 0.07 -0.09 0.00 -1.74 0.00 0.00 68.15 67.24 1quu h THR 126 CO 0.06 0.00 -0.19 0.40 0.37 0.00 0.00 175.52 176.16 1quu h ILE 127 N -0.14 0.43 0.03 3.11 2.04 -0.79 -1.37 117.51 120.82 1quu h ILE 127 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.12 1quu h ILE 127 Cb 0.55 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1quu h ILE 127 CO -0.79 0.00 -0.37 -0.78 0.00 0.00 0.00 178.15 176.21 1quu h ASP 128 N -0.11 -1.11 -0.23 1.72 3.58 -0.22 -0.95 116.42 119.10 1quu h ASP 128 Ca 0.20 0.14 0.07 0.00 0.42 0.00 0.00 57.03 57.86 1quu h ASP 128 Cb 0.42 0.44 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1quu h ASP 128 CO -0.48 -0.43 0.25 -0.61 -2.88 0.00 0.00 179.24 175.09 1quu h GLN 129 N -0.55 0.00 0.22 0.28 5.75 -0.35 -0.86 115.11 119.61 1quu h GLN 129 Ca 0.05 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1quu h GLN 129 Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1quu h GLN 129 CO -0.27 0.00 -0.11 -0.07 -2.65 0.00 0.00 178.83 175.73 1quu h LEU 130 N 0.00 -0.25 -0.82 -2.39 3.38 -0.15 -3.08 115.31 112.00 1quu h LEU 130 Ca 0.11 -0.17 0.17 0.00 0.09 0.00 0.00 57.88 58.08 1quu h LEU 130 Cb 0.62 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.28 1quu h LEU 130 CO -0.00 0.26 -0.18 0.45 0.09 0.00 0.00 178.44 179.06 1quu h HIS 131 N -1.01 -0.39 0.15 1.13 3.86 -0.42 0.52 115.15 118.99 1quu h HIS 131 Ca -0.03 0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1quu h HIS 131 Cb 0.41 0.30 -0.04 0.00 1.06 0.00 0.00 27.41 29.14 1quu h HIS 131 CO 0.04 -0.35 -0.35 1.25 0.86 0.00 0.00 177.93 179.39 1quu h LEU 132 N 0.01 -0.99 0.08 2.43 6.46 -1.30 -1.50 115.31 120.49 1quu h LEU 132 Ca 0.40 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1quu h LEU 132 Cb 0.63 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 1quu h LEU 132 CO -0.84 -0.44 -0.20 -0.33 -0.62 0.00 0.00 178.44 176.01 1quu h GLU 133 N -0.59 -0.30 -0.68 1.25 5.08 -0.89 0.20 114.58 118.65 1quu h GLU 133 Ca 0.02 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1quu h GLU 133 Cb 0.61 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.83 1quu h GLU 133 CO -0.18 -0.20 -0.30 0.34 -1.00 0.00 0.00 179.01 177.67 1quu n PHE 134 N -3.59 -0.05 -0.28 4.33 -0.00 -0.10 0.11 117.46 117.88 1quu n PHE 134 Ca -0.04 0.84 -0.06 0.00 -0.00 0.00 0.00 57.45 58.19 1quu n PHE 134 Cb 0.16 -0.71 0.06 0.00 -0.00 0.00 0.00 39.48 38.99 1quu n PHE 134 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1quu h ALA 135 N 0.81 0.99 -0.06 3.13 0.00 -0.58 0.41 119.26 123.95 1quu h ALA 135 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1quu h ALA 135 Cb 0.38 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1quu h ALA 135 CO -0.67 0.61 -0.17 -0.22 0.00 0.00 0.00 179.25 178.81 1quu h LYS 136 N 1.10 -0.24 0.00 0.00 3.11 0.39 -1.84 116.57 119.10 1quu h LYS 136 Ca 0.25 0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.07 1quu h LYS 136 Cb 0.21 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1quu h LYS 136 CO -0.02 -0.16 -0.38 0.00 -2.81 0.00 0.00 179.45 176.08 1quu h ARG 137 N -0.25 0.00 0.00 1.90 3.08 -1.29 -3.30 114.38 114.51 1quu h ARG 137 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1quu h ARG 137 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1quu h ARG 137 CO -0.20 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 1quu h ALA 138 N 1.82 1.00 0.06 0.04 0.00 0.27 -3.12 119.26 119.32 1quu h ALA 138 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1quu h ALA 138 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1quu h ALA 138 CO 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.24 1quu h ALA 139 N 2.20 -0.08 -1.00 0.00 0.00 -1.43 -2.41 119.26 116.55 1quu h ALA 139 Ca 0.00 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1quu h ALA 139 Cb 0.73 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1quu h ALA 139 CO 0.00 -0.12 0.63 -1.35 0.00 0.00 0.00 179.25 178.41 1quu h PRO 140 N -0.93 0.98 0.18 0.00 0.11 -1.73 -1.69 132.00 128.92 1quu h PRO 140 Ca -0.01 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1quu h PRO 140 Cb 0.57 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1quu h PRO 140 CO 0.01 0.65 -0.17 0.35 -0.21 0.00 0.00 178.00 178.63 1quu h PHE 141 N 1.01 -0.43 -0.86 0.65 3.57 -1.60 -0.88 116.94 118.39 1quu h PHE 141 Ca 0.49 0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.17 1quu h PHE 141 Cb 0.45 0.17 -0.11 0.00 2.79 0.00 0.00 35.95 39.24 1quu h PHE 141 CO -0.01 -0.25 0.40 -0.97 -2.23 0.00 0.00 178.31 175.25 1quu h ASN 142 N -0.37 0.39 0.03 0.41 -0.00 -0.85 -1.54 115.58 113.65 1quu h ASN 142 Ca -0.00 0.12 -0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1quu h ASN 142 Cb 0.35 0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1quu h ASN 142 CO -0.03 0.10 -0.02 0.78 -0.00 0.00 0.00 177.43 178.25 1quu h ASN 143 N 0.49 -0.06 -0.98 1.15 -0.26 -0.33 -2.08 115.58 113.51 1quu h ASN 143 Ca 0.50 0.00 0.32 0.00 -0.56 0.00 0.00 56.30 56.57 1quu h ASN 143 Cb 0.85 0.02 -0.17 0.00 -1.06 0.00 0.00 38.32 37.96 1quu h ASN 143 CO -0.45 -0.03 0.29 -0.25 -1.06 0.00 0.00 177.43 175.93 1quu h TRP 144 N -0.05 0.42 0.00 1.19 7.01 -0.65 1.41 115.95 125.28 1quu h TRP 144 Ca -0.00 0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.00 1quu h TRP 144 Cb 0.04 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1quu h TRP 144 CO -0.04 -0.39 -0.26 0.52 -2.79 0.00 0.00 178.44 175.49 1quu h MET 145 N 0.07 0.00 0.20 2.65 2.86 -1.10 -0.21 114.93 119.40 1quu h MET 145 Ca 0.69 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 58.00 1quu h MET 145 Cb 1.61 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.29 1quu h MET 145 CO -0.79 0.26 -1.60 0.93 1.06 0.00 0.00 176.91 176.76 1quu h GLU 146 N 0.00 0.42 0.00 1.72 4.39 0.23 -1.42 114.58 119.92 1quu h GLU 146 Ca -0.00 -0.72 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1quu h GLU 146 Cb 0.64 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1quu h GLU 146 CO 0.03 1.34 0.00 0.41 -1.16 0.00 0.00 179.01 179.64 1quu n GLY 147 N 1.80 -0.51 0.02 -3.84 0.00 0.16 -1.80 105.19 101.02 1quu n GLY 147 Ca -0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 1quu n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1quu n ALA 148 N -1.12 1.89 -0.20 4.61 0.00 -0.13 -4.06 120.51 121.50 1quu n ALA 148 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1quu n ALA 148 Cb 0.06 0.28 0.02 0.00 0.00 0.00 0.00 19.45 19.81 1quu n ALA 148 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1quu h MET 149 N 0.00 0.87 -0.10 0.00 2.07 -0.91 0.23 114.93 117.09 1quu h MET 149 Ca -0.12 -0.20 -0.14 0.00 -2.07 0.00 0.00 59.70 57.17 1quu h MET 149 Cb 1.22 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 30.81 1quu h MET 149 CO -0.01 0.80 -0.56 1.49 1.07 0.00 0.00 176.91 179.70 1quu h GLU 150 N 0.78 0.31 0.05 1.72 4.81 -1.62 -3.05 114.58 117.58 1quu h GLU 150 Ca 0.18 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1quu h GLU 150 Cb 0.31 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1quu h GLU 150 CO -0.00 0.79 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.60 1quu h ASP 151 N 0.23 -0.06 0.16 1.04 5.19 -1.61 -2.76 116.42 118.61 1quu h ASP 151 Ca 0.00 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1quu h ASP 151 Cb 1.06 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1quu h ASP 151 CO 0.09 0.40 0.00 0.18 -3.12 0.00 0.00 179.24 176.79 1quu n LEU 152 N -4.91 0.00 -0.31 1.55 4.77 0.03 -1.31 117.00 116.83 1quu n LEU 152 Ca -0.08 0.44 0.09 0.00 -0.03 0.00 0.00 56.01 56.43 1quu n LEU 152 Cb 0.24 -0.44 0.17 0.00 -2.33 0.00 0.00 43.42 41.06 1quu n LEU 152 CO 0.32 -0.36 0.60 0.00 -1.33 0.00 0.00 177.39 176.62 1quu n GLN 153 N -1.44 1.71 -3.13 3.23 6.02 -1.13 -4.69 117.38 117.95 1quu n GLN 153 Ca 0.02 -2.68 -0.41 0.00 -0.01 0.00 0.00 57.00 53.91 1quu n GLN 153 Cb 0.06 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 29.65 1quu n GLN 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1quu s ASP 154 N -2.65 6.44 0.10 1.08 1.01 -0.43 -5.01 116.67 117.21 1quu s ASP 154 Ca 0.35 0.23 -0.36 0.00 0.71 0.00 0.00 52.55 53.48 1quu s ASP 154 Cb 0.30 -2.32 -0.17 0.00 1.01 0.00 0.00 42.92 41.74 1quu s ASP 154 CO 0.04 -0.54 1.28 0.80 0.21 0.00 0.00 175.17 176.97 1quu n MET 155 N 5.94 1.09 -4.09 8.23 0.00 -1.26 -4.97 117.12 122.07 1quu n MET 155 Ca -0.02 0.39 -0.24 0.00 -0.00 0.00 0.00 57.70 57.84 1quu n MET 155 Cb 0.49 -1.99 -0.05 0.00 0.00 0.00 0.00 33.22 31.67 1quu n MET 155 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1quu s PHE 156 N 0.31 3.16 -0.30 1.12 -0.12 -1.26 -5.09 117.98 115.80 1quu s PHE 156 Ca 0.82 -0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 57.61 1quu s PHE 156 Cb -0.95 -1.47 0.10 0.00 -0.63 0.00 0.00 43.02 40.08 1quu s PHE 156 CO 0.48 0.52 0.13 0.42 -0.05 0.00 0.00 175.22 176.72 1quu s ILE 157 N -1.94 0.10 0.02 -4.49 1.01 -1.26 -5.12 121.20 109.52 1quu s ILE 157 Ca 0.32 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1quu s ILE 157 Cb -0.09 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 1quu s ILE 157 CO 0.25 -0.73 -0.16 0.68 0.00 0.00 0.00 174.94 174.98 1quu s VAL 158 N 1.98 1.28 -0.01 2.92 -7.23 -1.26 -5.03 120.40 113.05 1quu s VAL 158 Ca 0.09 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1quu s VAL 158 Cb -0.16 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1quu s VAL 158 CO -0.34 0.16 0.75 0.00 -0.31 0.00 0.00 175.10 175.36 1quu n HIS 159 N 2.15 0.00 -4.34 2.82 1.44 -1.26 -5.00 115.22 111.02 1quu n HIS 159 Ca -0.17 -0.22 -0.18 0.00 -2.01 0.00 0.00 57.72 55.14 1quu n HIS 159 Cb 0.54 -0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.52 1quu n HIS 159 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1quu s SER 160 N -0.58 1.70 0.08 4.39 1.04 -1.26 -5.03 113.70 114.04 1quu s SER 160 Ca 0.02 -1.30 0.28 0.00 0.48 0.00 0.00 55.95 55.43 1quu s SER 160 Cb 0.02 0.04 1.06 0.00 0.10 0.00 0.00 66.02 67.24 1quu s SER 160 CO 0.00 -0.60 1.86 2.30 0.98 0.00 0.00 173.24 177.78 1quu n ILE 161 N -0.48 0.22 -0.08 -1.02 -5.35 -1.26 -3.82 119.36 107.57 1quu n ILE 161 Ca -0.03 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.24 1quu n ILE 161 Cb 0.65 -0.51 -0.15 0.00 -1.74 0.00 0.00 39.64 37.89 1quu n ILE 161 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1quu n GLU 162 N -1.78 0.67 -0.00 6.28 2.13 -1.26 -3.87 120.64 122.81 1quu n GLU 162 Ca 0.06 0.09 -0.13 0.00 0.66 0.00 0.00 57.16 57.84 1quu n GLU 162 Cb 0.37 -1.59 -0.09 0.00 0.27 0.00 0.00 31.44 30.40 1quu n GLU 162 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1quu h GLU 163 N 0.00 0.01 0.00 5.31 5.08 -1.99 -2.20 114.58 120.80 1quu h GLU 163 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1quu h GLU 163 Cb 2.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1quu h GLU 163 CO 0.04 0.35 0.00 1.51 -1.00 0.00 0.00 179.01 179.91 1quu n ILE 164 N -4.91 0.90 -0.62 3.13 0.00 -1.25 -1.76 119.36 114.84 1quu n ILE 164 Ca -0.08 0.22 0.09 0.00 0.00 0.00 0.00 62.75 62.98 1quu n ILE 164 Cb 0.19 -1.07 0.32 0.00 0.00 0.00 0.00 39.64 39.08 1quu n ILE 164 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1quu n GLN 165 N -1.33 3.51 -0.01 9.51 7.27 -0.83 -3.44 117.38 132.07 1quu n GLN 165 Ca 0.04 -2.77 -0.01 0.00 0.07 0.00 0.00 57.00 54.34 1quu n GLN 165 Cb 0.08 -1.80 -0.01 0.00 2.41 0.00 0.00 30.24 30.93 1quu n GLN 165 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1quu n SER 166 N 0.80 4.68 0.19 1.69 7.64 -0.72 -4.40 113.62 123.49 1quu n SER 166 Ca 0.23 -0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.99 1quu n SER 166 Cb 0.83 0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 64.47 1quu n SER 166 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1quu h LEU 167 N 0.00 -0.45 -1.80 -3.43 3.38 -1.70 0.46 115.31 111.77 1quu h LEU 167 Ca -0.03 -0.12 0.27 0.00 0.09 0.00 0.00 57.88 58.09 1quu h LEU 167 Cb 1.07 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1quu h LEU 167 CO 0.00 -0.04 0.81 -0.29 0.09 0.00 0.00 178.44 179.01 1quu h ILE 168 N -0.98 0.30 0.00 1.22 6.09 -1.82 0.42 117.51 122.73 1quu h ILE 168 Ca -0.05 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1quu h ILE 168 Cb 0.54 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.22 1quu h ILE 168 CO 0.09 0.00 -0.00 0.74 -3.07 0.00 0.00 178.15 175.91 1quu h THR 169 N 0.00 0.00 -0.97 2.19 2.02 -1.64 -2.69 112.91 111.82 1quu h THR 169 Ca 0.44 -0.26 0.31 0.00 0.77 0.00 0.00 66.41 67.67 1quu h THR 169 Cb 2.05 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 68.30 1quu h THR 169 CO -0.00 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.23 1quu h ALA 170 N -1.74 1.65 0.00 6.16 0.00 0.87 2.61 119.26 128.81 1quu h ALA 170 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1quu h ALA 170 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1quu h ALA 170 CO 0.00 -0.65 0.00 1.25 0.00 0.00 0.00 179.25 179.85 1quu h HIS 171 N 0.13 0.00 0.00 0.00 6.17 -0.34 -2.13 115.15 118.98 1quu h HIS 171 Ca 0.69 0.00 -0.22 0.00 0.71 0.00 0.00 60.37 61.55 1quu h HIS 171 Cb 1.58 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 31.48 1quu h HIS 171 CO -0.19 0.00 -1.27 1.49 0.71 0.00 0.00 177.93 178.67 1quu h GLU 172 N 0.00 0.00 0.00 5.26 4.57 0.48 -3.23 114.58 121.66 1quu h GLU 172 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1quu h GLU 172 Cb 0.51 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1quu h GLU 172 CO 0.00 0.61 -0.42 1.96 -1.18 0.00 0.00 179.01 179.98 1quu h GLN 173 N 0.00 0.00 -0.11 1.92 4.20 -0.36 -3.22 115.11 117.54 1quu h GLN 173 Ca -0.14 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.37 1quu h GLN 173 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.55 1quu h GLN 173 CO 0.09 0.42 -0.76 0.35 -0.67 0.00 0.00 178.83 178.26 1quu h PHE 174 N 0.00 0.80 -0.96 2.96 3.57 -1.50 -3.26 116.94 118.55 1quu h PHE 174 Ca -0.00 -0.35 0.02 0.00 3.53 0.00 0.00 57.97 61.16 1quu h PHE 174 Cb 1.03 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 1quu h PHE 174 CO 0.00 1.15 0.63 0.87 -2.23 0.00 0.00 178.31 178.73 1quu h LYS 175 N 0.40 1.24 0.00 1.11 1.57 -1.57 -0.59 116.57 118.73 1quu h LYS 175 Ca -0.04 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1quu h LYS 175 Cb 1.36 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1quu h LYS 175 CO 0.14 0.82 0.05 0.00 -0.57 0.00 0.00 179.45 179.89 1quu n ALA 176 N -2.36 1.00 -0.07 3.86 0.00 -1.23 0.13 120.51 121.83 1quu n ALA 176 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1quu n ALA 176 Cb 0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 1quu n ALA 176 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1quu n THR 177 N -1.19 1.61 -0.25 0.00 -1.04 -0.23 -4.44 114.28 108.74 1quu n THR 177 Ca 0.00 -0.58 0.15 0.00 -2.04 0.00 0.00 64.05 61.59 1quu n THR 177 Cb 0.05 -1.59 0.29 0.00 -1.82 0.00 0.00 70.33 67.26 1quu n THR 177 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1quu n LEU 178 N -3.44 0.03 0.00 -4.42 4.32 0.12 0.23 117.00 113.84 1quu n LEU 178 Ca -0.40 1.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.83 1quu n LEU 178 Cb 1.00 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1quu n LEU 178 CO 0.32 -1.31 0.29 -0.81 -1.22 0.00 0.00 177.39 174.66 1quu n PRO 179 N -4.91 0.00 -0.33 3.23 -0.04 -1.25 -1.43 135.00 130.27 1quu n PRO 179 Ca 0.21 0.50 0.03 0.00 -0.04 0.00 0.00 63.50 64.19 1quu n PRO 179 Cb 0.70 -1.29 0.10 0.00 -0.04 0.00 0.00 33.50 32.97 1quu n PRO 179 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1quu h GLU 180 N 0.00 -0.01 -0.76 0.54 4.81 -1.42 2.35 114.58 120.09 1quu h GLU 180 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1quu h GLU 180 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1quu h GLU 180 CO 0.00 -0.01 0.50 0.00 -0.73 0.00 0.00 179.01 178.77 1quu h ALA 181 N 1.73 1.83 0.00 2.92 0.00 -0.32 0.99 119.26 126.40 1quu h ALA 181 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1quu h ALA 181 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1quu h ALA 181 CO -0.93 0.01 0.00 -3.47 0.00 0.00 0.00 179.25 174.87 1quu n ASP 182 N -4.50 0.65 -0.03 0.00 2.03 0.77 -1.06 116.55 114.40 1quu n ASP 182 Ca 0.13 0.62 -0.13 0.00 0.52 0.00 0.00 54.79 55.93 1quu n ASP 182 Cb 0.35 -0.77 -0.09 0.00 -0.72 0.00 0.00 41.12 39.89 1quu n ASP 182 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1quu h GLY 183 N 3.03 0.21 0.97 0.27 0.00 0.31 -1.99 103.07 105.87 1quu h GLY 183 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1quu h GLY 183 CO 0.00 0.20 0.22 -2.09 0.00 0.00 0.00 176.54 174.87 1quu h GLU 184 N -0.26 0.58 -0.01 4.80 4.57 -0.83 -1.17 114.58 122.25 1quu h GLU 184 Ca 0.01 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1quu h GLU 184 Cb 0.63 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1quu h GLU 184 CO 0.02 0.48 0.03 -0.09 -1.18 0.00 0.00 179.01 178.26 1quu h ARG 185 N 0.53 0.00 0.05 1.92 2.43 -1.06 -0.78 114.38 117.47 1quu h ARG 185 Ca 0.14 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1quu h ARG 185 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1quu h ARG 185 CO -0.02 0.00 -0.02 1.96 -1.51 0.00 0.00 179.97 180.38 1quu h GLN 186 N 0.00 -0.06 -0.07 0.20 4.20 -0.44 -3.22 115.11 115.72 1quu h GLN 186 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1quu h GLN 186 Cb 0.06 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1quu h GLN 186 CO -0.00 0.57 -0.33 0.77 -0.67 0.00 0.00 178.83 179.17 1quu h SER 187 N -0.88 -1.04 -0.99 1.46 0.02 -0.55 -0.17 113.55 111.40 1quu h SER 187 Ca -0.01 0.12 0.31 0.00 -0.84 0.00 0.00 61.79 61.37 1quu h SER 187 Cb 0.66 0.40 -0.18 0.00 0.14 0.00 0.00 62.40 63.42 1quu h SER 187 CO 0.01 -0.30 0.18 0.40 -1.14 0.00 0.00 176.83 175.98 1quu h ILE 188 N -0.36 0.04 -0.18 3.27 1.08 -1.35 1.37 117.51 121.38 1quu h ILE 188 Ca 0.02 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1quu h ILE 188 Cb 0.42 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1quu h ILE 188 CO -0.26 0.00 0.06 0.24 -0.69 0.00 0.00 178.15 177.51 1quu h MET 189 N 0.02 0.15 0.11 2.37 2.86 -1.13 -1.82 114.93 117.48 1quu h MET 189 Ca 0.66 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 1quu h MET 189 Cb 1.50 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.10 1quu h MET 189 CO -0.86 0.10 -0.29 0.00 1.06 0.00 0.00 176.91 176.91 1quu h ALA 190 N 1.11 -0.84 -1.24 6.32 0.00 0.34 -1.60 119.26 123.36 1quu h ALA 190 Ca 0.08 -0.07 0.38 0.00 0.00 0.00 0.00 54.91 55.30 1quu h ALA 190 Cb 0.05 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1quu h ALA 190 CO -0.08 -0.90 0.81 0.82 0.00 0.00 0.00 179.25 179.90 1quu h ILE 191 N -0.45 0.27 0.00 0.00 2.04 -0.87 2.82 117.51 121.32 1quu h ILE 191 Ca -0.01 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1quu h ILE 191 Cb 0.43 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1quu h ILE 191 CO -0.14 0.03 -0.21 -0.61 0.00 0.00 0.00 178.15 177.23 1quu h GLN 192 N 0.18 0.00 0.02 2.37 5.75 -0.43 -2.84 115.11 120.16 1quu h GLN 192 Ca 0.73 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 59.23 1quu h GLN 192 Cb 2.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.79 1quu h GLN 192 CO -0.34 0.21 -0.01 -0.91 -2.65 0.00 0.00 178.83 175.12 1quu h ASN 193 N 0.00 -0.02 -1.38 -0.69 -0.26 0.55 -3.03 115.58 110.76 1quu h ASN 193 Ca -0.00 -0.57 0.41 0.00 -0.56 0.00 0.00 56.30 55.58 1quu h ASN 193 Cb 0.47 0.01 -0.09 0.00 -1.06 0.00 0.00 38.32 37.64 1quu h ASN 193 CO 0.03 0.74 0.94 -0.08 -1.06 0.00 0.00 177.43 178.00 1quu h GLU 194 N -0.98 0.10 0.03 0.81 4.22 -1.27 0.22 114.58 117.71 1quu h GLU 194 Ca -0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1quu h GLU 194 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1quu h GLU 194 CO 0.00 0.06 -0.02 0.28 -2.18 0.00 0.00 179.01 177.16 1quu h VAL 195 N 0.10 0.00 -0.63 0.32 2.07 -1.57 -2.44 116.25 114.09 1quu h VAL 195 Ca 0.74 -0.18 0.18 0.00 0.82 0.00 0.00 66.70 68.26 1quu h VAL 195 Cb 2.57 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1quu h VAL 195 CO -0.21 0.00 0.75 -0.33 0.02 0.00 0.00 177.57 177.80 1quu h GLU 196 N -0.23 0.00 0.14 1.57 5.08 -1.29 0.60 114.58 120.46 1quu h GLU 196 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1quu h GLU 196 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1quu h GLU 196 CO 0.01 0.00 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.73 1quu h LYS 197 N 0.00 -0.19 -0.72 2.33 3.64 -0.66 -1.85 116.57 119.13 1quu h LYS 197 Ca 0.30 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 1quu h LYS 197 Cb 1.80 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.61 1quu h LYS 197 CO -0.00 0.20 0.41 0.28 -2.27 0.00 0.00 179.45 178.06 1quu h VAL 198 N -0.95 0.98 -0.02 2.00 2.07 -0.46 0.15 116.25 120.02 1quu h VAL 198 Ca -0.02 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1quu h VAL 198 Cb 0.47 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1quu h VAL 198 CO 0.03 0.14 -0.15 0.40 0.02 0.00 0.00 177.57 178.01 1quu h ILE 199 N 0.75 0.62 -0.00 4.57 2.04 -1.09 -1.05 117.51 123.35 1quu h ILE 199 Ca 0.32 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.18 1quu h ILE 199 Cb 0.19 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1quu h ILE 199 CO -0.18 0.00 0.04 -0.61 0.00 0.00 0.00 178.15 177.40 1quu h GLN 200 N -0.25 0.00 0.45 2.37 -0.00 -0.31 -3.04 115.11 114.32 1quu h GLN 200 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.68 1quu h GLN 200 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1quu h GLN 200 CO -0.16 0.00 -0.21 0.66 0.00 0.00 0.00 178.83 179.12 1quu h SER 201 N 0.00 -0.51 0.00 -0.69 4.64 0.62 -3.43 113.55 114.18 1quu h SER 201 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1quu h SER 201 Cb 0.08 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1quu h SER 201 CO -0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 176.83 175.64 1quu n TYR 202 N -3.87 0.00 -2.55 4.77 9.36 -1.15 -4.88 117.16 118.85 1quu n TYR 202 Ca -0.07 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.72 1quu n TYR 202 Cb 0.24 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.92 1quu n TYR 202 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1quu s ASN 203 N -1.23 7.08 0.00 2.98 2.47 -1.26 -4.92 114.94 120.06 1quu s ASN 203 Ca 0.00 1.61 0.17 0.00 0.42 0.00 0.00 52.86 55.06 1quu s ASN 203 Cb 0.00 -2.55 0.70 0.00 -1.45 0.00 0.00 41.25 37.95 1quu s ASN 203 CO 0.00 -0.63 1.49 2.30 -3.72 0.00 0.00 177.10 176.55 1quu n ILE 204 N 5.00 0.19 1.23 -5.21 -5.35 -1.26 -3.88 119.36 110.07 1quu n ILE 204 Ca 0.12 -0.27 0.13 0.00 -0.27 0.00 0.00 62.75 62.46 1quu n ILE 204 Cb 0.46 0.18 0.35 0.00 -1.74 0.00 0.00 39.64 38.88 1quu n ILE 204 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1quu n ARG 205 N 0.06 0.89 -1.66 6.28 1.74 -1.26 -4.92 116.66 117.78 1quu n ARG 205 Ca 0.14 -0.55 -0.31 0.00 -0.77 0.00 0.00 57.85 56.36 1quu n ARG 205 Cb 0.24 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1quu n ARG 205 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1quu s ILE 206 N -2.49 4.20 0.47 0.55 1.01 -1.25 -5.04 121.20 118.65 1quu s ILE 206 Ca 0.24 0.73 -0.16 0.00 0.00 0.00 0.00 60.65 61.46 1quu s ILE 206 Cb 0.19 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.06 1quu s ILE 206 CO 0.52 -0.92 0.92 -0.55 0.00 0.00 0.00 174.94 174.91 1quu s SER 207 N -3.86 6.64 -0.17 3.58 0.15 -1.26 -5.02 113.70 113.76 1quu s SER 207 Ca 0.57 1.47 0.06 0.00 0.70 0.00 0.00 55.95 58.75 1quu s SER 207 Cb -0.13 -2.46 -0.15 0.00 -1.71 0.00 0.00 66.02 61.57 1quu s SER 207 CO 0.54 -0.50 -0.07 -1.20 1.20 0.00 0.00 173.24 173.21 1quu n SER 208 N -1.35 2.02 -4.46 5.45 7.64 -1.26 -5.01 113.62 116.65 1quu n SER 208 Ca 0.05 -0.06 -0.53 0.00 1.01 0.00 0.00 58.87 59.34 1quu n SER 208 Cb 0.54 0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.88 1quu n SER 208 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1quu n SER 209 N -2.84 -0.45 -4.64 6.43 3.41 -1.26 -4.86 113.62 109.41 1quu n SER 209 Ca -0.30 1.15 -0.42 0.00 -0.26 0.00 0.00 58.87 59.04 1quu n SER 209 Cb 0.91 -0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 1quu n SER 209 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1quu s ASN 210 N -0.45 6.87 0.00 4.04 3.84 -1.26 -4.92 114.94 123.05 1quu s ASN 210 Ca 0.77 1.06 0.21 0.00 0.21 0.00 0.00 52.86 55.12 1quu s ASN 210 Cb -1.08 -2.46 1.00 0.00 -0.55 0.00 0.00 41.25 38.16 1quu s ASN 210 CO 0.56 -0.57 1.68 -0.81 -2.79 0.00 0.00 177.10 175.18 1quu n PRO 211 N 6.12 0.16 -0.01 0.43 -0.04 -1.26 -2.71 135.00 137.69 1quu n PRO 211 Ca 0.07 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.73 1quu n PRO 211 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 1quu n PRO 211 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1quu n TYR 212 N -1.39 0.00 -4.43 0.54 4.02 -1.26 -4.96 117.16 109.68 1quu n TYR 212 Ca 0.08 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.77 1quu n TYR 212 Cb 0.21 -0.28 -0.15 0.00 -0.02 0.00 0.00 39.34 39.09 1quu n TYR 212 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1quu s SER 213 N -3.67 1.25 -0.12 7.72 0.15 -1.10 -4.95 113.70 112.99 1quu s SER 213 Ca -0.02 -0.19 0.10 0.00 0.70 0.00 0.00 55.95 56.53 1quu s SER 213 Cb 0.13 -0.24 -0.24 0.00 -1.71 0.00 0.00 66.02 63.96 1quu s SER 213 CO 0.77 0.10 0.36 0.35 1.20 0.00 0.00 173.24 176.02 1quu n THR 214 N 3.06 1.57 -2.11 6.45 -2.24 -1.26 -4.55 114.28 115.20 1quu n THR 214 Ca -0.16 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 1quu n THR 214 Cb 0.55 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 1quu n THR 214 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1quu s VAL 215 N -2.55 3.74 0.75 2.28 1.01 -1.26 -4.97 120.40 119.39 1quu s VAL 215 Ca -0.12 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 62.68 1quu s VAL 215 Cb 0.07 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.95 1quu s VAL 215 CO 0.79 -0.12 1.05 0.42 0.00 0.00 0.00 175.10 177.24 1quu s THR 216 N 4.18 2.21 0.06 3.92 -4.23 -1.26 -4.97 115.64 115.55 1quu s THR 216 Ca 0.69 -0.35 0.10 0.00 -1.18 0.00 0.00 61.69 60.96 1quu s THR 216 Cb -0.29 -2.87 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 1quu s THR 216 CO 0.26 0.00 1.38 -0.03 -0.54 0.00 0.00 174.62 175.69 1quu h MET 217 N -0.73 0.00 0.54 3.99 -1.53 -1.97 -2.61 114.93 112.63 1quu h MET 217 Ca -0.42 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 55.81 1quu h MET 217 Cb 1.28 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 32.34 1quu h MET 217 CO 0.49 0.80 -0.26 0.22 0.14 0.00 0.00 176.91 178.30 1quu h ASP 218 N 0.00 -0.62 0.00 1.39 3.58 -2.00 -2.10 116.42 116.67 1quu h ASP 218 Ca -0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1quu h ASP 218 Cb 1.56 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.77 1quu h ASP 218 CO 0.10 -0.43 0.03 1.05 -2.88 0.00 0.00 179.24 177.11 1quu h GLU 219 N -0.75 0.00 0.00 0.28 4.11 -1.97 0.14 114.58 116.39 1quu h GLU 219 Ca -0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 1quu h GLU 219 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1quu h GLU 219 CO 0.12 0.00 -0.16 1.25 0.07 0.00 0.00 179.01 180.29 1quu h LEU 220 N 0.00 0.00 0.11 3.06 6.46 -1.04 -2.94 115.31 120.96 1quu h LEU 220 Ca 0.00 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.49 1quu h LEU 220 Cb 0.06 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1quu h LEU 220 CO 0.00 0.16 -1.38 -0.09 -0.62 0.00 0.00 178.44 176.50 1quu h ARG 221 N 0.00 0.24 -0.75 1.25 2.43 -0.08 -3.24 114.38 114.23 1quu h ARG 221 Ca -0.00 -0.41 0.17 0.00 -0.81 0.00 0.00 59.98 58.92 1quu h ARG 221 Cb 1.03 0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 30.60 1quu h ARG 221 CO 0.02 1.20 -0.06 1.15 -1.51 0.00 0.00 179.97 180.76 1quu h THR 222 N -0.32 0.30 -0.36 0.20 2.02 -1.45 0.15 112.91 113.45 1quu h THR 222 Ca -0.30 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1quu h THR 222 Cb 1.75 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1quu h THR 222 CO 0.06 0.01 0.21 0.11 0.37 0.00 0.00 175.52 176.28 1quu h LYS 223 N 0.06 0.49 -0.39 6.66 1.57 -1.64 -2.54 116.57 120.78 1quu h LYS 223 Ca 0.40 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 1quu h LYS 223 Cb 0.67 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1quu h LYS 223 CO -0.71 0.38 0.27 2.35 -0.57 0.00 0.00 179.45 181.17 1quu h TRP 224 N 0.46 0.33 -0.26 -1.35 2.91 -0.77 -0.60 115.95 116.68 1quu h TRP 224 Ca 0.13 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 1quu h TRP 224 Cb 0.02 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 1quu h TRP 224 CO -0.04 0.19 0.03 -0.44 -1.03 0.00 0.00 178.44 177.15 1quu h ASP 225 N 0.34 0.42 -0.52 2.65 3.32 -0.84 -0.66 116.42 121.13 1quu h ASP 225 Ca 0.17 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1quu h ASP 225 Cb 0.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1quu h ASP 225 CO -0.04 0.59 0.26 0.11 -1.72 0.00 0.00 179.24 178.45 1quu h LYS 226 N 0.24 0.74 -0.74 3.56 1.79 -1.05 0.37 116.57 121.48 1quu h LYS 226 Ca 0.08 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.56 1quu h LYS 226 Cb 0.36 -0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 1quu h LYS 226 CO 0.01 0.60 0.35 0.28 -1.08 0.00 0.00 179.45 179.61 1quu h VAL 227 N 0.69 0.79 -0.39 0.50 2.07 -0.95 0.11 116.25 119.08 1quu h VAL 227 Ca 0.18 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1quu h VAL 227 Cb 0.09 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1quu h VAL 227 CO -0.02 0.10 -0.17 0.50 0.02 0.00 0.00 177.57 178.00 1quu h LYS 228 N 0.57 0.81 0.00 1.57 3.64 -0.12 -2.93 116.57 120.12 1quu h LYS 228 Ca 0.38 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1quu h LYS 228 Cb 0.46 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1quu h LYS 228 CO -0.31 0.97 0.00 0.37 -2.27 0.00 0.00 179.45 178.21 1quu h GLN 229 N 0.61 0.00 0.11 1.90 4.15 0.47 -3.23 115.11 119.12 1quu h GLN 229 Ca 0.09 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.24 1quu h GLN 229 Cb 0.72 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1quu h GLN 229 CO 0.05 0.00 -1.36 -0.07 -1.93 0.00 0.00 178.83 175.52 1quu h LEU 230 N 0.00 0.36 -0.69 -2.39 3.38 -0.73 -3.36 115.31 111.88 1quu h LEU 230 Ca 0.00 -0.84 0.19 0.00 0.09 0.00 0.00 57.88 57.32 1quu h LEU 230 Cb 0.54 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.04 1quu h LEU 230 CO 0.00 1.60 0.03 0.52 0.09 0.00 0.00 178.44 180.68 1quu n VAL 231 N -3.96 -0.29 -0.06 1.22 0.31 -1.11 0.01 118.33 114.44 1quu n VAL 231 Ca -0.25 1.50 -0.14 0.00 -0.01 0.00 0.00 64.34 65.44 1quu n VAL 231 Cb 0.88 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.54 1quu n VAL 231 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1quu h PRO 232 N 0.00 0.55 0.00 5.55 0.13 -1.74 -2.87 132.00 133.63 1quu h PRO 232 Ca 0.43 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 1quu h PRO 232 Cb 0.90 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1quu h PRO 232 CO -0.64 0.95 -0.04 0.82 -0.23 0.00 0.00 178.00 178.86 1quu h ILE 233 N 0.22 0.89 0.44 -3.56 2.04 -0.56 -2.51 117.51 114.45 1quu h ILE 233 Ca 0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1quu h ILE 233 Cb 0.92 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1quu h ILE 233 CO 0.07 0.04 -0.21 -0.09 0.00 0.00 0.00 178.15 177.96 1quu h ARG 234 N 0.00 -0.56 -0.78 2.37 9.65 -1.31 -3.12 114.38 120.62 1quu h ARG 234 Ca -0.00 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.02 1quu h ARG 234 Cb 0.08 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 28.67 1quu h ARG 234 CO 0.01 -0.30 -0.36 -0.25 2.80 0.00 0.00 179.97 181.87 1quu n ASP 235 N -5.18 -0.62 -0.00 -3.80 10.43 -0.97 -0.57 116.55 115.83 1quu n ASP 235 Ca -0.09 1.37 -0.01 0.00 2.57 0.00 0.00 54.79 58.63 1quu n ASP 235 Cb 0.27 -0.26 -0.01 0.00 1.84 0.00 0.00 41.12 42.96 1quu n ASP 235 CO 0.00 0.00 0.00 -0.61 -1.07 0.00 0.00 177.20 175.52 1quu h GLN 236 N 0.00 -0.03 -0.85 -1.24 5.75 -1.57 0.33 115.11 117.50 1quu h GLN 236 Ca 0.22 0.00 0.21 0.00 -0.15 0.00 0.00 58.65 58.93 1quu h GLN 236 Cb 0.41 0.01 -0.12 0.00 1.07 0.00 0.00 27.48 28.84 1quu h GLN 236 CO -0.76 -0.02 0.31 0.77 -2.65 0.00 0.00 178.83 176.48 1quu h SER 237 N -0.03 0.19 0.57 -0.69 0.02 -1.04 0.46 113.55 113.02 1quu h SER 237 Ca 0.00 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1quu h SER 237 Cb 0.04 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1quu h SER 237 CO -0.03 -0.04 -0.47 -0.07 -1.14 0.00 0.00 176.83 175.08 1quu h LEU 238 N 0.33 0.00 0.56 5.07 3.38 -0.37 -2.14 115.31 122.14 1quu h LEU 238 Ca 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.46 1quu h LEU 238 Cb 0.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1quu h LEU 238 CO -0.55 0.47 -0.27 1.56 0.09 0.00 0.00 178.44 179.75 1quu h GLN 239 N 0.00 -0.72 -0.88 1.13 4.20 0.38 -2.92 115.11 116.30 1quu h GLN 239 Ca -0.00 0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.01 1quu h GLN 239 Cb 0.89 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 1quu h GLN 239 CO 0.06 -0.48 0.84 0.93 -0.67 0.00 0.00 178.83 179.50 1quu h GLU 240 N -1.04 0.00 0.00 1.46 5.08 -0.71 0.36 114.58 119.74 1quu h GLU 240 Ca -0.08 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.02 1quu h GLU 240 Cb 0.58 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.85 1quu h GLU 240 CO 0.13 0.00 -1.05 0.93 -1.00 0.00 0.00 179.01 178.02 1quu h GLU 241 N 0.00 0.69 -0.70 2.33 4.39 -1.29 -3.00 114.58 117.00 1quu h GLU 241 Ca 0.42 -0.75 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 1quu h GLU 241 Cb 2.08 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 30.92 1quu h GLU 241 CO -0.00 1.32 0.24 1.25 -1.16 0.00 0.00 179.01 180.66 1quu h LEU 242 N 0.39 0.99 -2.58 1.33 5.85 -0.16 -2.16 115.31 118.96 1quu h LEU 242 Ca -0.13 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1quu h LEU 242 Cb 1.70 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1quu h LEU 242 CO 0.21 0.91 0.00 0.00 -0.34 0.00 0.00 178.44 179.21 1quu n ALA 243 N -2.45 2.65 -0.08 1.25 0.00 -0.37 -1.76 120.51 119.75 1quu n ALA 243 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1quu n ALA 243 Cb 0.21 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1quu n ALA 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1quu n ARG 244 N 1.10 1.41 -0.01 0.00 5.12 -0.85 -4.64 116.66 118.79 1quu n ARG 244 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 1quu n ARG 244 Cb 0.34 -0.12 -0.12 0.00 -1.16 0.00 0.00 32.46 31.41 1quu n ARG 244 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1quu n GLN 245 N 0.00 0.64 -0.00 5.56 1.13 -0.72 -3.03 117.38 120.96 1quu n GLN 245 Ca 0.00 0.21 0.12 0.00 -1.94 0.00 0.00 57.00 55.39 1quu n GLN 245 Cb 0.00 -1.75 0.14 0.00 0.11 0.00 0.00 30.24 28.73 1quu n GLN 245 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1quu n HIS 246 N -2.92 0.01 0.30 1.08 8.25 -0.89 -3.81 115.22 117.24 1quu n HIS 246 Ca -0.16 -0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1quu n HIS 246 Cb 0.97 0.00 0.19 0.00 1.12 0.00 0.00 29.99 32.27 1quu n HIS 246 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1quu n ALA 247 N 1.26 2.40 -1.73 -1.41 0.00 -1.22 -5.07 120.51 114.75 1quu n ALA 247 Ca 0.15 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1quu n ALA 247 Cb 0.58 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1quu n ALA 247 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59