#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh n ASN 3 N 0.00 -0.24 -0.17 1.61 0.23 -1.26 -5.00 115.26 110.43 3knh n ASN 3 Ca 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 3knh n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3knh n ASN 3 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3knh n LYS 4 N -0.25 -0.48 -4.04 -3.83 5.02 -1.26 -5.07 118.16 108.25 3knh n LYS 4 Ca 0.00 0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 56.33 3knh n LYS 4 Cb 0.00 -0.39 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 3knh n LYS 4 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3knh s ILE 5 N -1.54 4.73 -0.19 -0.18 -5.25 -1.26 -5.03 121.20 112.47 3knh s ILE 5 Ca 0.00 -0.60 -0.37 0.00 -0.99 0.00 0.00 60.65 58.69 3knh s ILE 5 Cb 0.00 -3.25 -0.14 0.00 2.95 0.00 0.00 42.46 42.03 3knh s ILE 5 CO 0.00 0.19 1.82 1.57 -1.79 0.00 0.00 174.94 176.74 3knh n HIS 6 N 0.64 2.18 0.08 1.37 -0.00 -1.26 -4.77 115.22 113.47 3knh n HIS 6 Ca -0.09 0.27 0.02 0.00 -0.00 0.00 0.00 57.72 57.91 3knh n HIS 6 Cb 0.52 -2.56 0.09 0.00 -0.00 0.00 0.00 29.99 28.04 3knh n HIS 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3knh n PRO 7 N 6.08 0.01 -0.11 1.57 -0.04 -1.26 -2.42 135.00 138.83 3knh n PRO 7 Ca 0.25 0.48 -0.22 0.00 -0.04 0.00 0.00 63.50 63.96 3knh n PRO 7 Cb 0.21 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.06 3knh n PRO 7 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3knh n ILE 8 N -1.57 1.25 -0.38 0.52 2.08 -1.26 -4.07 119.36 115.94 3knh n ILE 8 Ca 0.00 -0.26 0.37 0.00 0.56 0.00 0.00 62.75 63.43 3knh n ILE 8 Cb 0.03 -1.85 0.74 0.00 -0.75 0.00 0.00 39.64 37.81 3knh n ILE 8 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 3knh h GLY 9 N -0.80 0.14 0.90 7.39 0.00 -1.91 2.03 103.07 110.81 3knh h GLY 9 Ca -0.51 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 3knh h GLY 9 CO -0.31 -0.02 -0.50 -2.75 0.00 0.00 0.00 176.54 172.96 3knh h PHE 10 N 0.03 0.73 -0.01 5.60 3.57 -1.69 -3.22 116.94 121.95 3knh h PHE 10 Ca 0.63 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3knh h PHE 10 Cb 2.43 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 41.05 3knh h PHE 10 CO -0.00 1.09 -0.13 0.54 -2.23 0.00 0.00 178.31 177.57 3knh n ARG 11 N -4.22 1.26 -0.30 1.11 5.12 0.25 -4.48 116.66 115.39 3knh n ARG 11 Ca -0.08 -0.75 -0.10 0.00 -1.93 0.00 0.00 57.85 55.00 3knh n ARG 11 Cb 0.60 -1.48 -0.07 0.00 -1.16 0.00 0.00 32.46 30.34 3knh n ARG 11 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3knh h LEU 12 N 1.83 -1.86 0.02 0.55 7.12 0.28 2.07 115.31 125.32 3knh h LEU 12 Ca 0.00 0.29 -0.00 0.00 0.13 0.00 0.00 57.88 58.30 3knh h LEU 12 Cb 0.52 0.83 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 3knh h LEU 12 CO 0.00 -0.30 -0.01 1.23 -0.13 0.00 0.00 178.44 179.23 3knh h GLY 13 N -0.14 -0.03 0.26 3.75 0.00 -1.81 -3.36 103.07 101.73 3knh h GLY 13 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3knh h GLY 13 CO -0.81 -0.01 -0.13 1.19 0.00 0.00 0.00 176.54 176.78 3knh h ILE 14 N -0.05 0.00 0.00 2.60 2.10 -1.23 -3.47 117.51 117.46 3knh h ILE 14 Ca -0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3knh h ILE 14 Cb 0.04 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.77 3knh h ILE 14 CO 0.01 0.00 0.00 0.41 -1.08 0.00 0.00 178.15 177.49 3knh n THR 15 N -4.06 0.00 -1.34 2.19 -1.04 0.68 -4.96 114.28 105.75 3knh n THR 15 Ca -0.04 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.44 3knh n THR 15 Cb 0.14 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.58 3knh n THR 15 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3knh n ARG 16 N 0.00 0.00 -2.61 -2.82 3.00 -1.24 -4.89 116.66 108.10 3knh n ARG 16 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 3knh n ARG 16 Cb 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 32.46 31.12 3knh n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3knh s ASP 17 N 0.25 6.39 0.34 6.15 1.11 -1.26 -4.43 116.67 125.21 3knh s ASP 17 Ca 0.81 1.13 -0.27 0.00 0.18 0.00 0.00 52.55 54.40 3knh s ASP 17 Cb -1.14 -2.33 -0.13 0.00 1.07 0.00 0.00 42.92 40.40 3knh s ASP 17 CO 0.52 -0.54 1.08 0.79 1.18 0.00 0.00 175.17 178.20 3knh n TRP 18 N -1.88 1.51 1.10 4.23 8.01 -1.26 -4.80 117.44 124.36 3knh n TRP 18 Ca 0.02 0.63 0.00 0.00 -1.31 0.00 0.00 57.50 56.84 3knh n TRP 18 Cb 0.54 -2.29 0.00 0.00 -2.01 0.00 0.00 31.31 27.56 3knh n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3knh n GLU 19 N 0.54 0.94 0.00 -0.99 2.13 -1.26 -4.57 120.64 117.43 3knh n GLU 19 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3knh n GLU 19 Cb 0.35 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.67 3knh n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3knh n SER 20 N -0.06 0.00 -4.10 4.31 2.88 -1.26 -3.22 113.62 112.17 3knh n SER 20 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 3knh n SER 20 Cb 0.19 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.49 3knh n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3knh s ARG 21 N 0.00 2.74 -0.23 -1.46 1.70 -0.85 -4.95 118.95 115.90 3knh s ARG 21 Ca 0.00 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.22 3knh s ARG 21 Cb 0.00 -2.36 0.17 0.00 -0.57 0.00 0.00 34.95 32.19 3knh s ARG 21 CO 0.00 -0.17 1.22 1.67 -1.08 0.00 0.00 175.30 176.95 3knh s TRP 22 N 1.23 -0.16 0.51 5.89 1.48 -1.26 -2.31 118.94 124.31 3knh s TRP 22 Ca 0.02 0.25 -0.05 0.00 -1.06 0.00 0.00 56.10 55.26 3knh s TRP 22 Cb -0.14 0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 32.64 3knh s TRP 22 CO -0.09 -0.15 0.80 -0.47 -4.06 0.00 0.00 176.95 172.97 3knh s TYR 23 N -1.19 3.44 -0.28 1.66 5.04 -1.26 -5.02 117.35 119.73 3knh s TYR 23 Ca 0.05 0.69 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 3knh s TYR 23 Cb -0.01 -2.42 0.09 0.00 0.35 0.00 0.00 41.96 39.97 3knh s TYR 23 CO -0.04 -0.43 0.72 0.00 -1.34 0.00 0.00 175.55 174.45 3knh s ALA 24 N -2.78 -1.91 0.49 3.97 0.00 -1.26 -5.01 121.76 115.25 3knh s ALA 24 Ca 0.49 2.39 -0.21 0.00 0.00 0.00 0.00 51.96 54.62 3knh s ALA 24 Cb -0.10 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.50 3knh s ALA 24 CO 0.44 -0.37 1.13 0.20 0.00 0.00 0.00 175.76 177.16 3knh s GLY 25 N 1.54 2.70 0.34 0.00 0.00 -1.17 -4.74 107.32 105.99 3knh s GLY 25 Ca -0.09 0.85 0.13 0.00 0.00 0.00 0.00 44.72 45.61 3knh s GLY 25 CO -0.18 1.26 1.67 0.07 0.00 0.00 0.00 173.10 175.91 3knh h LYS 26 N 1.72 0.35 0.00 2.90 2.10 -2.02 0.93 116.57 122.55 3knh h LYS 26 Ca -0.50 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3knh h LYS 26 Cb 1.25 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3knh h LYS 26 CO 0.59 0.23 0.00 0.87 -2.00 0.00 0.00 179.45 179.14 3knh h LYS 27 N 0.36 0.00 -1.82 0.07 1.57 -2.07 -3.39 116.57 111.29 3knh h LYS 27 Ca 0.72 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 59.11 3knh h LYS 27 Cb 1.59 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.61 3knh h LYS 27 CO -0.59 0.00 -0.73 -0.65 -0.57 0.00 0.00 179.45 176.91 3knh s GLN 28 N -3.32 0.85 0.00 3.15 -0.21 0.32 -4.86 119.66 115.59 3knh s GLN 28 Ca 0.05 -1.34 0.00 0.00 0.02 0.00 0.00 55.36 54.10 3knh s GLN 28 Cb 0.10 -0.77 0.00 0.00 1.00 0.00 0.00 33.01 33.34 3knh s GLN 28 CO 0.48 -1.30 0.00 0.98 -2.12 0.00 0.00 175.29 173.33 3knh n TYR 29 N 3.42 0.00 -0.33 0.91 -0.00 -1.13 -3.06 117.16 116.98 3knh n TYR 29 Ca 0.19 0.00 0.23 0.00 -0.00 0.00 0.00 57.90 58.32 3knh n TYR 29 Cb 0.49 0.38 0.44 0.00 -0.00 0.00 0.00 39.34 40.66 3knh n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3knh h ARG 30 N 0.00 0.08 0.00 2.98 2.43 -1.86 0.17 114.38 118.18 3knh h ARG 30 Ca 0.00 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 3knh h ARG 30 Cb 0.03 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3knh h ARG 30 CO 0.00 0.05 -1.44 1.12 -1.51 0.00 0.00 179.97 178.20 3knh h HIS 31 N 0.08 0.00 0.00 2.20 2.07 -1.93 -2.81 115.15 114.77 3knh h HIS 31 Ca 0.72 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.24 3knh h HIS 31 Cb 1.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.68 3knh h HIS 31 CO -0.19 0.75 0.00 -0.07 -3.07 0.00 0.00 177.93 175.35 3knh h LEU 32 N 0.00 0.00 0.00 6.12 3.38 -1.10 -1.85 115.31 121.86 3knh h LEU 32 Ca -0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3knh h LEU 32 Cb 1.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 3knh h LEU 32 CO 0.06 0.00 -0.36 0.25 0.09 0.00 0.00 178.44 178.48 3knh h LEU 33 N 0.00 0.00 -0.01 1.67 5.85 -0.84 -3.29 115.31 118.69 3knh h LEU 33 Ca 0.00 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3knh h LEU 33 Cb 0.50 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3knh h LEU 33 CO 0.00 0.79 -0.18 0.25 -0.34 0.00 0.00 178.44 178.96 3knh h LEU 34 N -1.00 -0.53 -1.79 2.25 6.46 -1.48 0.22 115.31 119.44 3knh h LEU 34 Ca -0.05 0.08 0.27 0.00 -0.12 0.00 0.00 57.88 58.06 3knh h LEU 34 Cb 0.49 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.59 3knh h LEU 34 CO -0.03 -0.24 0.69 -0.08 -0.62 0.00 0.00 178.44 178.16 3knh h GLU 35 N -0.29 0.14 0.00 1.25 4.81 -1.55 1.61 114.58 120.55 3knh h GLU 35 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3knh h GLU 35 Cb 0.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3knh h GLU 35 CO -0.18 0.09 0.00 -0.25 -0.73 0.00 0.00 179.01 177.94 3knh n ASP 36 N -4.36 0.47 -0.11 1.04 10.43 0.68 -2.92 116.55 121.78 3knh n ASP 36 Ca 0.22 0.57 -0.13 0.00 2.57 0.00 0.00 54.79 58.01 3knh n ASP 36 Cb 0.97 -0.68 -0.14 0.00 1.84 0.00 0.00 41.12 43.11 3knh n ASP 36 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3knh n GLN 37 N -1.96 0.67 0.24 -1.24 1.13 0.54 -3.63 117.38 113.13 3knh n GLN 37 Ca 0.05 0.06 0.12 0.00 -1.94 0.00 0.00 57.00 55.28 3knh n GLN 37 Cb 0.33 -1.52 0.55 0.00 0.11 0.00 0.00 30.24 29.70 3knh n GLN 37 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3knh h ARG 38 N 0.00 0.00 0.19 -1.09 0.11 -1.39 0.57 114.38 112.76 3knh h ARG 38 Ca -0.56 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.51 3knh h ARG 38 Cb 2.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.19 3knh h ARG 38 CO -0.02 0.17 -0.09 0.82 0.10 0.00 0.00 179.97 180.95 3knh h ILE 39 N 0.00 0.91 0.00 0.08 2.04 -1.68 -1.13 117.51 117.73 3knh h ILE 39 Ca -0.00 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3knh h ILE 39 Cb 0.64 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3knh h ILE 39 CO 0.02 0.18 -0.11 0.03 0.00 0.00 0.00 178.15 178.27 3knh h ARG 40 N -0.69 0.00 0.00 2.37 3.08 -1.56 -2.97 114.38 114.61 3knh h ARG 40 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3knh h ARG 40 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3knh h ARG 40 CO 0.04 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 3knh n GLY 41 N -0.77 -0.76 0.35 0.04 0.00 0.20 -1.67 105.19 102.58 3knh n GLY 41 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.09 3knh n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knh h LEU 42 N 0.00 0.80 -0.05 0.99 4.07 -1.39 -2.45 115.31 117.28 3knh h LEU 42 Ca 0.00 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.07 3knh h LEU 42 Cb 0.00 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 3knh h LEU 42 CO 0.00 0.37 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.25 3knh h LEU 43 N 0.85 -1.27 -1.69 1.67 3.38 -1.59 1.45 115.31 118.12 3knh h LEU 43 Ca 0.51 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.65 3knh h LEU 43 Cb 0.65 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3knh h LEU 43 CO -0.32 -0.44 0.45 -0.33 0.09 0.00 0.00 178.44 177.89 3knh h GLU 44 N -0.53 0.00 0.00 1.13 5.08 -0.84 -2.47 114.58 116.94 3knh h GLU 44 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3knh h GLU 44 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3knh h GLU 44 CO -0.35 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.29 3knh n LYS 45 N -2.88 0.00 -0.75 2.33 5.02 0.48 -3.81 118.16 118.54 3knh n LYS 45 Ca -0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.21 3knh n LYS 45 Cb 0.50 -0.26 -0.05 0.00 -0.02 0.00 0.00 35.03 35.19 3knh n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3knh n GLU 46 N -0.43 1.48 0.00 1.97 1.02 0.05 -2.05 120.64 122.67 3knh n GLU 46 Ca 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 57.16 56.52 3knh n GLU 46 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 3knh n GLU 46 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3knh n LEU 47 N 1.65 0.00 -0.18 -4.62 7.94 -0.93 -4.87 117.00 115.98 3knh n LEU 47 Ca 0.19 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.31 3knh n LEU 47 Cb 0.64 0.00 0.60 0.00 0.53 0.00 0.00 43.42 45.19 3knh n LEU 47 CO 0.10 0.08 1.23 0.22 -1.11 0.00 0.00 177.39 177.90 3knh h TYR 48 N 0.00 0.30 -1.20 1.96 3.20 -1.51 -2.98 116.97 116.74 3knh h TYR 48 Ca 0.00 0.01 0.35 0.00 3.14 0.00 0.00 58.73 62.23 3knh h TYR 48 Cb 0.21 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 3knh h TYR 48 CO 0.00 0.09 0.86 0.43 -1.64 0.00 0.00 178.16 177.90 3knh n SER 49 N -4.42 0.01 -2.70 -2.11 7.64 -1.26 -0.90 113.62 109.88 3knh n SER 49 Ca 0.17 0.63 -0.05 0.00 1.01 0.00 0.00 58.87 60.62 3knh n SER 49 Cb 0.74 -0.31 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 3knh n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3knh n ALA 50 N -2.57 3.11 -1.19 -0.43 0.00 -1.12 -5.11 120.51 113.20 3knh n ALA 50 Ca 0.27 -3.00 0.00 0.00 0.00 0.00 0.00 53.44 50.72 3knh n ALA 50 Cb 1.23 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3knh n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knh n GLY 51 N -0.51 0.00 2.80 0.00 0.00 -0.08 -4.03 105.19 103.38 3knh n GLY 51 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3knh n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3knh s LEU 52 N -0.32 2.91 0.00 0.99 2.34 -1.26 -3.39 118.68 119.95 3knh s LEU 52 Ca 0.00 -1.90 0.00 0.00 0.06 0.00 0.00 54.13 52.29 3knh s LEU 52 Cb 0.00 -1.07 0.00 0.00 -0.56 0.00 0.00 46.19 44.56 3knh s LEU 52 CO 0.00 -0.39 0.46 0.00 -1.06 0.00 0.00 176.35 175.36 3knh n ALA 53 N 4.53 2.06 0.00 1.48 0.00 -1.21 -4.81 120.51 122.56 3knh n ALA 53 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3knh n ALA 53 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3knh n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knh n ARG 54 N 0.36 0.00 -3.21 0.00 0.63 -1.26 -4.94 116.66 108.25 3knh n ARG 54 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3knh n ARG 54 Cb 0.23 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.12 3knh n ARG 54 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3knh s VAL 55 N -2.00 -0.88 -0.24 5.15 1.01 -1.26 -3.03 120.40 119.15 3knh s VAL 55 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 3knh s VAL 55 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3knh s VAL 55 CO 0.00 -0.08 0.27 -0.62 0.00 0.00 0.00 175.10 174.68 3knh s ASP 56 N 2.74 6.21 -0.16 3.32 2.15 -0.91 -4.69 116.67 125.33 3knh s ASP 56 Ca 0.13 0.24 0.01 0.00 0.43 0.00 0.00 52.55 53.35 3knh s ASP 56 Cb -0.12 -2.16 0.02 0.00 -0.30 0.00 0.00 42.92 40.36 3knh s ASP 56 CO -0.25 -0.04 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.93 3knh s ILE 57 N 1.45 1.72 0.30 4.11 1.01 -1.20 -0.57 121.20 128.02 3knh s ILE 57 Ca 0.12 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3knh s ILE 57 Cb -0.15 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.64 3knh s ILE 57 CO 0.08 0.44 -0.05 -1.61 0.00 0.00 0.00 174.94 173.80 3knh s GLU 58 N 1.42 1.61 0.27 2.79 2.02 -1.26 -2.00 118.70 123.55 3knh s GLU 58 Ca 0.04 -1.83 -0.18 0.00 0.02 0.00 0.00 54.97 53.02 3knh s GLU 58 Cb -0.13 -1.20 0.01 0.00 0.10 0.00 0.00 34.13 32.90 3knh s GLU 58 CO -0.11 0.02 0.64 1.03 0.02 0.00 0.00 175.26 176.86 3knh s ARG 59 N -3.73 1.71 0.00 1.61 0.52 -0.98 -1.97 118.95 116.11 3knh s ARG 59 Ca 0.31 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3knh s ARG 59 Cb 0.04 0.57 0.00 0.00 0.52 0.00 0.00 34.95 36.08 3knh s ARG 59 CO 0.13 -0.76 0.00 0.00 0.02 0.00 0.00 175.30 174.69 3knh n ALA 60 N -0.44 0.02 0.00 2.13 0.00 -1.26 -4.60 120.51 116.36 3knh n ALA 60 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3knh n ALA 60 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3knh n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh n ALA 61 N -0.27 0.00 -1.97 0.00 0.00 -1.26 -5.01 120.51 111.99 3knh n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knh n ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knh n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3knh n ASP 62 N 0.00 -1.92 -3.80 0.00 2.03 -1.26 -5.09 116.55 106.50 3knh n ASP 62 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 3knh n ASP 62 Cb 0.00 -0.48 -0.13 0.00 -0.72 0.00 0.00 41.12 39.79 3knh n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3knh s ASN 63 N -2.93 -0.15 -0.29 1.67 2.20 -1.26 -3.99 114.94 110.19 3knh s ASN 63 Ca 0.00 0.31 0.01 0.00 -0.94 0.00 0.00 52.86 52.23 3knh s ASN 63 Cb 0.00 0.28 0.09 0.00 -2.00 0.00 0.00 41.25 39.62 3knh s ASN 63 CO 0.00 -0.07 0.04 0.68 -2.94 0.00 0.00 177.10 174.81 3knh s VAL 64 N 0.33 1.41 0.18 3.54 -7.23 -1.11 -3.98 120.40 113.53 3knh s VAL 64 Ca -0.02 -1.55 -0.19 0.00 -1.81 0.00 0.00 61.98 58.41 3knh s VAL 64 Cb -0.03 -1.94 0.12 0.00 0.56 0.00 0.00 36.38 35.09 3knh s VAL 64 CO -0.01 -0.47 1.62 0.00 -0.31 0.00 0.00 175.10 175.93 3knh h ALA 65 N 7.93 0.09 -6.83 1.32 0.00 -1.66 -3.18 119.26 116.93 3knh h ALA 65 Ca -0.12 0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 3knh h ALA 65 Cb 1.04 0.55 -0.18 0.00 0.00 0.00 0.00 17.79 19.20 3knh h ALA 65 CO 0.46 -0.58 -0.85 0.28 0.00 0.00 0.00 179.25 178.56 3knh n VAL 66 N -5.40 -0.92 -2.94 0.00 0.31 -0.81 -4.01 118.33 104.56 3knh n VAL 66 Ca 0.03 -0.44 -0.43 0.00 -0.01 0.00 0.00 64.34 63.49 3knh n VAL 66 Cb 0.31 -0.91 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 3knh n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3knh s THR 67 N -4.20 4.59 -0.99 2.52 2.01 0.26 -4.01 115.64 115.83 3knh s THR 67 Ca 0.02 0.33 -0.19 0.00 0.31 0.00 0.00 61.69 62.15 3knh s THR 67 Cb -0.01 -4.38 0.11 0.00 0.01 0.00 0.00 72.50 68.23 3knh s THR 67 CO 0.87 -0.84 1.26 -0.69 -0.69 0.00 0.00 174.62 174.53 3knh s VAL 68 N 3.43 4.53 -0.48 3.82 1.01 -1.26 -2.14 120.40 129.32 3knh s VAL 68 Ca 0.29 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 3knh s VAL 68 Cb -0.13 -4.88 -0.07 0.00 0.00 0.00 0.00 36.38 31.30 3knh s VAL 68 CO 0.21 -1.64 2.41 1.41 0.00 0.00 0.00 175.10 177.48 3knh n HIS 69 N 7.13 1.46 -4.19 5.22 8.25 -1.17 -4.31 115.22 127.61 3knh n HIS 69 Ca 0.28 0.10 -0.26 0.00 -0.26 0.00 0.00 57.72 57.58 3knh n HIS 69 Cb 0.49 -2.64 -0.07 0.00 1.12 0.00 0.00 29.99 28.89 3knh n HIS 69 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3knh s VAL 70 N 11.68 3.82 -1.01 1.59 1.01 -0.59 -3.34 120.40 133.56 3knh s VAL 70 Ca 1.00 -1.40 0.10 0.00 0.00 0.00 0.00 61.98 61.68 3knh s VAL 70 Cb -0.24 -2.93 0.19 0.00 0.00 0.00 0.00 36.38 33.39 3knh s VAL 70 CO 0.28 -0.12 1.04 0.00 0.00 0.00 0.00 175.10 176.30 3knh n ALA 71 N -0.20 2.30 -2.76 5.51 0.00 -1.22 -0.81 120.51 123.33 3knh n ALA 71 Ca -0.09 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.37 3knh n ALA 71 Cb 0.55 -0.36 0.08 0.00 0.00 0.00 0.00 19.45 19.72 3knh n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3knh n LYS 72 N 0.47 1.10 0.16 0.00 4.81 -1.26 -4.84 118.16 118.61 3knh n LYS 72 Ca 0.08 -2.26 0.19 0.00 -0.87 0.00 0.00 58.31 55.45 3knh n LYS 72 Cb 0.34 -0.75 0.77 0.00 0.02 0.00 0.00 35.03 35.41 3knh n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3knh h PRO 73 N 2.60 0.00 0.00 1.64 0.13 -1.89 -3.01 132.00 131.46 3knh h PRO 73 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3knh h PRO 73 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3knh h PRO 73 CO 0.15 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.33 3knh n GLY 74 N -1.41 0.00 0.05 1.56 0.00 -1.26 -1.46 105.19 102.67 3knh n GLY 74 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3knh n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knh n VAL 75 N -0.83 0.56 0.63 1.61 0.31 -1.14 -4.44 118.33 115.03 3knh n VAL 75 Ca 0.00 -0.25 0.13 0.00 -0.01 0.00 0.00 64.34 64.21 3knh n VAL 75 Cb 0.00 -0.83 0.44 0.00 -0.91 0.00 0.00 33.84 32.54 3knh n VAL 75 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3knh n VAL 76 N -2.63 0.57 -0.00 2.52 0.24 -0.53 -3.31 118.33 115.19 3knh n VAL 76 Ca -0.16 -0.16 0.04 0.00 -2.04 0.00 0.00 64.34 62.02 3knh n VAL 76 Cb 0.71 -0.68 -0.12 0.00 -1.47 0.00 0.00 33.84 32.28 3knh n VAL 76 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3knh n ILE 77 N -2.16 0.67 -0.37 1.34 5.41 -1.16 -3.26 119.36 119.84 3knh n ILE 77 Ca 0.05 -0.63 0.05 0.00 1.00 0.00 0.00 62.75 63.22 3knh n ILE 77 Cb 0.38 -0.32 -0.02 0.00 -0.71 0.00 0.00 39.64 38.97 3knh n ILE 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knh n GLY 78 N 1.38 -1.85 3.62 7.39 0.00 -1.21 -2.54 105.19 111.99 3knh n GLY 78 Ca -0.11 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3knh n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3knh s ARG 79 N -1.92 3.78 0.00 1.61 1.70 -1.26 -4.08 118.95 118.77 3knh s ARG 79 Ca 0.00 1.26 0.00 0.00 -0.47 0.00 0.00 55.73 56.52 3knh s ARG 79 Cb 0.00 -3.96 0.00 0.00 -0.57 0.00 0.00 34.95 30.42 3knh s ARG 79 CO 0.00 -1.31 0.00 0.41 -1.08 0.00 0.00 175.30 173.32 3knh n GLY 80 N 4.63 2.04 0.00 3.88 0.00 -1.26 -4.20 105.19 110.28 3knh n GLY 80 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3knh n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLY 81 N 0.00 -0.64 0.17 -0.02 0.00 -1.26 -5.08 105.19 98.37 3knh n GLY 81 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3knh n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knh n GLU 82 N 0.00 0.00 0.18 1.61 1.02 -1.19 -4.70 120.64 117.56 3knh n GLU 82 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3knh n GLU 82 Cb 0.00 -0.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.76 3knh n GLU 82 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3knh h ARG 83 N 0.00 -0.53 0.00 3.49 9.65 -1.78 -1.45 114.38 123.76 3knh h ARG 83 Ca 0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 3knh h ARG 83 Cb 0.28 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3knh h ARG 83 CO 0.00 -0.35 0.00 0.97 2.80 0.00 0.00 179.97 183.39 3knh h ILE 84 N -0.55 0.00 -0.01 1.20 2.10 -1.52 -1.12 117.51 117.60 3knh h ILE 84 Ca -0.01 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 3knh h ILE 84 Cb 0.51 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3knh h ILE 84 CO -0.05 0.00 -0.27 -1.14 -1.08 0.00 0.00 178.15 175.61 3knh n ARG 85 N -2.42 1.04 -0.22 2.19 3.00 -0.60 -1.57 116.66 118.07 3knh n ARG 85 Ca -0.00 -0.69 0.08 0.00 -0.00 0.00 0.00 57.85 57.24 3knh n ARG 85 Cb 0.13 -1.49 0.20 0.00 0.00 0.00 0.00 32.46 31.31 3knh n ARG 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3knh n VAL 86 N -0.38 0.86 -0.01 5.15 0.24 -0.43 -4.18 118.33 119.58 3knh n VAL 86 Ca 0.12 -0.93 -0.02 0.00 -2.04 0.00 0.00 64.34 61.47 3knh n VAL 86 Cb 0.38 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 3knh n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3knh n LEU 87 N 0.98 0.28 0.00 1.34 4.77 -1.17 -3.60 117.00 119.61 3knh n LEU 87 Ca 0.16 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3knh n LEU 87 Cb 0.50 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3knh n LEU 87 CO 0.11 0.07 0.35 0.54 -1.33 0.00 0.00 177.39 177.13 3knh n ARG 88 N -3.07 0.00 0.00 3.23 1.74 -0.61 -0.91 116.66 117.04 3knh n ARG 88 Ca -0.04 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3knh n ARG 88 Cb 0.53 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3knh n ARG 88 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3knh n GLU 89 N -1.20 0.00 -0.33 5.56 4.07 -1.26 -4.32 120.64 123.16 3knh n GLU 89 Ca 0.00 0.16 0.14 0.00 -0.06 0.00 0.00 57.16 57.40 3knh n GLU 89 Cb 0.01 -0.57 0.35 0.00 -0.06 0.00 0.00 31.44 31.16 3knh n GLU 89 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3knh h GLU 90 N 0.00 0.70 0.10 5.31 4.39 -1.30 -2.39 114.58 121.38 3knh h GLU 90 Ca 0.00 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3knh h GLU 90 Cb 0.00 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 3knh h GLU 90 CO 0.00 0.46 -0.44 -0.07 -1.16 0.00 0.00 179.01 177.80 3knh h LEU 91 N 0.72 -1.32 0.00 1.33 3.38 -1.26 0.29 115.31 118.45 3knh h LEU 91 Ca 0.55 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3knh h LEU 91 Cb 0.91 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3knh h LEU 91 CO -0.32 -0.50 0.00 0.00 0.09 0.00 0.00 178.44 177.70 3knh n ALA 92 N -2.86 2.18 0.28 1.53 0.00 -1.03 -2.43 120.51 118.18 3knh n ALA 92 Ca -0.07 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.40 3knh n ALA 92 Cb 0.39 -1.34 0.87 0.00 0.00 0.00 0.00 19.45 19.37 3knh n ALA 92 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3knh h LYS 93 N 0.00 0.00 0.00 0.00 3.64 0.08 -2.05 116.57 118.24 3knh h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3knh h LYS 93 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3knh h LYS 93 CO 0.00 0.00 0.00 1.47 -2.27 0.00 0.00 179.45 178.65 3knh n LEU 94 N -3.94 0.20 -3.18 5.20 -0.00 -1.18 -4.81 117.00 109.29 3knh n LEU 94 Ca -0.03 -0.44 -0.28 0.00 -0.00 0.00 0.00 56.01 55.27 3knh n LEU 94 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.47 3knh n LEU 94 CO 0.28 0.05 0.21 0.41 -0.00 0.00 0.00 177.39 178.34 3knh n THR 95 N -0.47 3.02 -1.65 1.47 -1.04 -0.83 -5.00 114.28 109.77 3knh n THR 95 Ca 0.00 -5.48 -0.16 0.00 -2.04 0.00 0.00 64.05 56.37 3knh n THR 95 Cb 0.02 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 3knh n THR 95 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3knh s GLY 96 N -2.98 -0.66 0.29 3.41 0.00 -0.86 -4.12 107.32 102.41 3knh s GLY 96 Ca 0.45 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 3knh s GLY 96 CO -0.08 4.11 0.65 1.17 0.00 0.00 0.00 173.10 178.95 3knh n LYS 97 N 8.81 0.86 -2.06 2.90 4.81 -1.26 -5.08 118.16 127.13 3knh n LYS 97 Ca 0.46 -1.70 -0.40 0.00 -0.87 0.00 0.00 58.31 55.80 3knh n LYS 97 Cb 0.44 2.13 -0.03 0.00 0.02 0.00 0.00 35.03 37.59 3knh n LYS 97 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3knh s ASN 98 N -2.68 5.57 -0.40 3.14 3.84 -1.26 -4.92 114.94 118.23 3knh s ASN 98 Ca 0.13 0.67 -0.08 0.00 0.21 0.00 0.00 52.86 53.78 3knh s ASN 98 Cb -0.04 -2.53 0.07 0.00 -0.55 0.00 0.00 41.25 38.20 3knh s ASN 98 CO 0.09 -2.08 0.22 0.68 -2.79 0.00 0.00 177.10 173.22 3knh s VAL 99 N 8.03 4.13 0.00 -5.21 -7.23 -1.26 -2.73 120.40 116.13 3knh s VAL 99 Ca 0.70 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 3knh s VAL 99 Cb -0.16 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.30 3knh s VAL 99 CO 0.26 -0.43 0.00 0.00 -0.31 0.00 0.00 175.10 174.62 3knh n ALA 100 N 4.89 0.00 0.00 1.32 0.00 -1.20 -4.96 120.51 120.56 3knh n ALA 100 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3knh n ALA 100 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3knh n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knh n LEU 101 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.81 117.00 110.94 3knh n LEU 101 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 3knh n LEU 101 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 43.42 43.51 3knh n LEU 101 CO 0.00 0.00 0.41 0.59 0.00 0.00 0.00 177.39 178.39 3knh n ASN 102 N 0.00 0.17 -3.09 1.96 3.02 -1.26 -5.01 115.26 111.06 3knh n ASN 102 Ca 0.00 -1.30 -0.18 0.00 -0.03 0.00 0.00 54.58 53.06 3knh n ASN 102 Cb 0.00 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 3knh n ASN 102 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3knh n VAL 103 N -2.76 0.40 -1.83 2.41 0.31 -1.26 -4.09 118.33 111.50 3knh n VAL 103 Ca 0.08 -4.56 -0.41 0.00 -0.01 0.00 0.00 64.34 59.44 3knh n VAL 103 Cb 0.29 -0.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.89 3knh n VAL 103 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3knh s GLN 104 N -2.65 4.13 0.10 5.55 -1.52 -1.26 -4.87 119.66 119.15 3knh s GLN 104 Ca 0.40 2.54 0.01 0.00 -1.95 0.00 0.00 55.36 56.36 3knh s GLN 104 Cb 0.35 -2.99 0.02 0.00 -0.22 0.00 0.00 33.01 30.18 3knh s GLN 104 CO -0.08 -0.52 0.14 -1.91 -0.25 0.00 0.00 175.29 172.68 3knh n GLU 105 N 0.74 0.89 -3.70 2.91 2.13 -1.26 -1.55 120.64 120.80 3knh n GLU 105 Ca 0.02 -0.53 -0.27 0.00 0.66 0.00 0.00 57.16 57.04 3knh n GLU 105 Cb 0.39 -0.05 -0.17 0.00 0.27 0.00 0.00 31.44 31.88 3knh n GLU 105 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3knh s VAL 106 N 0.30 0.32 0.00 6.31 1.01 0.01 -4.56 120.40 123.79 3knh s VAL 106 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3knh s VAL 106 Cb -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3knh s VAL 106 CO 0.07 -0.18 0.72 0.00 0.00 0.00 0.00 175.10 175.70 3knh n GLN 107 N 5.13 0.00 -4.34 2.72 3.00 -1.26 -4.39 117.38 118.24 3knh n GLN 107 Ca -0.08 0.62 -0.34 0.00 -0.01 0.00 0.00 57.00 57.19 3knh n GLN 107 Cb 0.48 -1.22 -0.14 0.00 0.00 0.00 0.00 30.24 29.37 3knh n GLN 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3knh s ASN 108 N -2.81 4.32 -0.01 1.08 3.84 -1.26 -4.99 114.94 115.11 3knh s ASN 108 Ca 0.00 -0.30 -0.24 0.00 0.21 0.00 0.00 52.86 52.53 3knh s ASN 108 Cb 0.00 -1.70 -0.17 0.00 -0.55 0.00 0.00 41.25 38.83 3knh s ASN 108 CO 0.00 0.09 1.16 -0.65 -2.79 0.00 0.00 177.10 174.91 3knh h PRO 109 N 7.26 -0.31 -0.83 0.43 0.11 -1.93 -3.13 132.00 133.60 3knh h PRO 109 Ca -0.33 0.02 0.32 0.00 0.11 0.00 0.00 66.00 66.12 3knh h PRO 109 Cb 1.19 0.07 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 3knh h PRO 109 CO 0.59 0.05 0.48 0.09 -0.21 0.00 0.00 178.00 179.00 3knh n ASN 110 N -5.05 0.22 -2.64 -2.05 3.02 -1.26 -0.11 115.26 107.38 3knh n ASN 110 Ca -0.09 1.15 -0.38 0.00 -0.03 0.00 0.00 54.58 55.24 3knh n ASN 110 Cb 0.26 -0.56 0.06 0.00 -0.61 0.00 0.00 39.78 38.92 3knh n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knh n LEU 111 N -4.49 7.61 -3.14 3.41 4.77 -1.18 -4.61 117.00 119.37 3knh n LEU 111 Ca 0.28 -4.58 -0.15 0.00 -0.03 0.00 0.00 56.01 51.53 3knh n LEU 111 Cb 1.01 -1.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3knh n LEU 111 CO 0.05 1.63 -0.10 -0.55 -1.33 0.00 0.00 177.39 177.08 3knh s SER 112 N -1.44 0.16 0.00 -1.43 0.15 0.84 -4.98 113.70 107.00 3knh s SER 112 Ca 0.58 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 55.06 3knh s SER 112 Cb 0.47 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 3knh s SER 112 CO -0.23 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.07 3knh n ALA 113 N 3.23 0.00 -0.19 5.45 0.00 -1.26 -0.68 120.51 127.06 3knh n ALA 113 Ca 0.21 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.84 3knh n ALA 113 Cb 0.51 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.31 3knh n ALA 113 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3knh n PRO 114 N -0.15 -0.04 0.41 0.00 -0.02 -1.23 0.17 135.00 134.14 3knh n PRO 114 Ca 0.00 0.82 -0.17 0.00 -2.02 0.00 0.00 63.50 62.12 3knh n PRO 114 Cb 0.00 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 3knh n PRO 114 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3knh h LEU 115 N 0.00 -0.88 -0.81 2.45 3.38 -1.23 -0.75 115.31 117.48 3knh h LEU 115 Ca 0.50 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.66 3knh h LEU 115 Cb 1.34 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 42.21 3knh h LEU 115 CO -0.46 -0.56 0.31 0.58 0.09 0.00 0.00 178.44 178.41 3knh h VAL 116 N -1.18 0.57 0.42 1.22 2.07 0.17 0.19 116.25 119.70 3knh h VAL 116 Ca -0.11 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3knh h VAL 116 Cb 0.82 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3knh h VAL 116 CO 0.18 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 177.55 3knh h ALA 117 N 1.62 -1.08 -0.90 1.67 0.00 -1.09 -2.79 119.26 116.69 3knh h ALA 117 Ca 0.47 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.32 3knh h ALA 117 Cb 0.79 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.90 3knh h ALA 117 CO -0.47 -1.07 -0.52 1.04 0.00 0.00 0.00 179.25 178.24 3knh n GLN 118 N -4.14 -0.38 0.00 0.00 6.02 -0.30 0.93 117.38 119.50 3knh n GLN 118 Ca -0.08 1.36 0.00 0.00 -0.01 0.00 0.00 57.00 58.27 3knh n GLN 118 Cb 0.29 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.54 3knh n GLN 118 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3knh n ARG 119 N -5.14 0.00 -0.06 -1.09 0.63 0.53 -0.76 116.66 110.77 3knh n ARG 119 Ca 0.02 0.16 -0.09 0.00 -0.92 0.00 0.00 57.85 57.03 3knh n ARG 119 Cb 0.25 -1.59 -0.05 0.00 0.45 0.00 0.00 32.46 31.51 3knh n ARG 119 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3knh n VAL 120 N -1.07 0.68 0.15 5.15 0.31 0.26 -4.18 118.33 119.64 3knh n VAL 120 Ca 0.00 -0.25 0.04 0.00 -0.01 0.00 0.00 64.34 64.12 3knh n VAL 120 Cb 0.09 -1.00 0.46 0.00 -0.91 0.00 0.00 33.84 32.48 3knh n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knh h ALA 121 N -0.05 1.65 -0.78 3.52 0.00 -0.72 0.44 119.26 123.32 3knh h ALA 121 Ca -0.27 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.61 3knh h ALA 121 Cb 1.40 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 3knh h ALA 121 CO -0.06 0.26 0.38 0.93 0.00 0.00 0.00 179.25 180.77 3knh h GLU 122 N 0.17 0.58 -0.04 0.00 5.08 -1.15 -1.24 114.58 117.97 3knh h GLU 122 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3knh h GLU 122 Cb 0.27 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3knh h GLU 122 CO 0.01 0.38 -0.05 1.96 -1.00 0.00 0.00 179.01 180.31 3knh h GLN 123 N 0.59 0.10 -0.01 2.33 4.20 -0.35 -3.15 115.11 118.83 3knh h GLN 123 Ca 0.40 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 3knh h GLN 123 Cb 0.52 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 3knh h GLN 123 CO -0.33 0.61 0.00 0.82 -0.67 0.00 0.00 178.83 179.26 3knh h ILE 124 N -0.39 1.19 0.00 2.54 2.04 -0.95 -0.46 117.51 121.48 3knh h ILE 124 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3knh h ILE 124 Cb 0.60 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3knh h ILE 124 CO 0.01 0.15 0.14 -0.62 0.00 0.00 0.00 178.15 177.83 3knh n GLU 125 N -4.97 0.00 -0.90 2.37 1.02 -0.49 0.10 120.64 117.77 3knh n GLU 125 Ca -0.08 0.36 -0.04 0.00 -0.02 0.00 0.00 57.16 57.39 3knh n GLU 125 Cb 0.14 -1.64 0.18 0.00 -0.02 0.00 0.00 31.44 30.09 3knh n GLU 125 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3knh n ARG 126 N -1.36 1.98 -2.24 3.49 1.74 -0.20 -5.05 116.66 115.02 3knh n ARG 126 Ca 0.00 -3.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.71 3knh n ARG 126 Cb 0.14 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3knh n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knh n ARG 127 N -1.07 -0.59 -3.62 5.56 3.00 0.29 -5.00 116.66 115.23 3knh n ARG 127 Ca 0.30 0.57 -0.13 0.00 -0.01 0.00 0.00 57.85 58.58 3knh n ARG 127 Cb 0.88 -0.58 -0.05 0.00 0.00 0.00 0.00 32.46 32.70 3knh n ARG 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3knh s PHE 128 N 0.00 -0.31 -0.37 -1.55 0.40 -1.24 -4.97 117.98 109.94 3knh s PHE 128 Ca 0.00 0.23 -0.34 0.00 -0.60 0.00 0.00 56.93 56.22 3knh s PHE 128 Cb 0.00 0.28 -0.11 0.00 0.51 0.00 0.00 43.02 43.70 3knh s PHE 128 CO 0.00 -0.64 2.22 0.00 0.70 0.00 0.00 175.22 177.51 3knh n ALA 129 N 0.27 1.10 0.09 5.36 0.00 -1.26 -4.79 120.51 121.29 3knh n ALA 129 Ca -0.18 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 3knh n ALA 129 Cb 0.61 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 3knh n ALA 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knh h VAL 130 N 7.17 0.15 -0.74 0.00 2.07 -1.98 -0.11 116.25 122.81 3knh h VAL 130 Ca -0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.37 3knh h VAL 130 Cb 1.31 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3knh h VAL 130 CO 1.03 0.00 0.49 -0.09 0.02 0.00 0.00 177.57 179.02 3knh h ARG 131 N -0.63 0.52 0.00 1.57 2.43 -1.96 -0.80 114.38 115.51 3knh h ARG 131 Ca 0.03 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3knh h ARG 131 Cb 0.67 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3knh h ARG 131 CO -0.28 0.34 -0.40 -0.09 -1.51 0.00 0.00 179.97 178.04 3knh h ARG 132 N 0.54 0.00 -0.03 0.20 2.43 -1.56 0.53 114.38 116.48 3knh h ARG 132 Ca 0.35 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 3knh h ARG 132 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3knh h ARG 132 CO -0.12 0.40 -0.28 0.00 -1.51 0.00 0.00 179.97 178.46 3knh h ALA 133 N 1.60 0.08 -0.52 2.80 0.00 0.34 -3.07 119.26 120.49 3knh h ALA 133 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3knh h ALA 133 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3knh h ALA 133 CO 0.05 0.12 0.00 -0.89 0.00 0.00 0.00 179.25 178.53 3knh n ILE 134 N -4.48 0.00 0.00 0.00 2.08 -0.71 0.23 119.36 116.48 3knh n ILE 134 Ca -0.09 1.31 0.00 0.00 0.56 0.00 0.00 62.75 64.53 3knh n ILE 134 Cb 0.49 -2.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 3knh n ILE 134 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3knh n LYS 135 N -1.74 0.00 0.00 0.38 5.02 0.18 0.65 118.16 122.65 3knh n LYS 135 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3knh n LYS 135 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3knh n LYS 135 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3knh n GLN 136 N -0.10 0.00 -0.06 1.97 7.27 -1.10 -4.51 117.38 120.84 3knh n GLN 136 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 3knh n GLN 136 Cb 0.00 -0.80 0.43 0.00 2.41 0.00 0.00 30.24 32.28 3knh n GLN 136 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knh h ALA 137 N 0.00 1.80 -0.48 1.69 0.00 0.87 0.51 119.26 123.64 3knh h ALA 137 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3knh h ALA 137 Cb 0.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3knh h ALA 137 CO 0.00 0.13 0.00 0.28 0.00 0.00 0.00 179.25 179.66 3knh n VAL 138 N -4.47 2.30 -0.07 0.00 0.31 0.08 -2.45 118.33 114.02 3knh n VAL 138 Ca 0.07 -1.16 -0.13 0.00 -0.01 0.00 0.00 64.34 63.10 3knh n VAL 138 Cb 0.19 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.74 3knh n VAL 138 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3knh n GLN 139 N 0.51 0.33 -0.35 5.55 -0.06 0.77 -3.97 117.38 120.17 3knh n GLN 139 Ca 0.23 0.11 0.13 0.00 -2.00 0.00 0.00 57.00 55.48 3knh n GLN 139 Cb 1.04 -1.15 0.33 0.00 -4.06 0.00 0.00 30.24 26.40 3knh n GLN 139 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3knh h ARG 140 N -0.28 0.68 0.00 3.69 2.43 -0.12 0.60 114.38 121.38 3knh h ARG 140 Ca -0.35 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3knh h ARG 140 Cb 1.41 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3knh h ARG 140 CO -0.14 0.45 0.00 0.28 -1.51 0.00 0.00 179.97 179.05 3knh n VAL 141 N -4.81 0.00 -0.35 0.20 0.31 -1.03 -2.27 118.33 110.39 3knh n VAL 141 Ca 0.24 0.54 0.23 0.00 -0.01 0.00 0.00 64.34 65.34 3knh n VAL 141 Cb 0.60 -1.10 0.49 0.00 -0.91 0.00 0.00 33.84 32.92 3knh n VAL 141 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 3knh h MET 142 N 0.00 0.38 0.64 5.55 2.86 -1.67 0.35 114.93 123.04 3knh h MET 142 Ca 0.00 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3knh h MET 142 Cb 0.00 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.58 3knh h MET 142 CO 0.00 0.25 -0.31 1.49 1.06 0.00 0.00 176.91 179.40 3knh h GLU 143 N 0.39 -0.83 -0.05 1.72 4.81 0.07 -0.76 114.58 119.93 3knh h GLU 143 Ca 0.66 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.95 3knh h GLU 143 Cb 1.60 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.16 3knh h GLU 143 CO -0.42 -0.53 0.00 -1.13 -0.73 0.00 0.00 179.01 176.20 3knh n SER 144 N -5.43 0.05 0.00 1.04 3.41 0.06 -4.82 113.62 107.94 3knh n SER 144 Ca -0.13 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 3knh n SER 144 Cb 0.36 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3knh n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knh n GLY 145 N -0.12 0.22 0.00 5.00 0.00 -0.29 -5.02 105.19 104.98 3knh n GLY 145 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3knh n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh n ALA 146 N 0.88 0.00 0.93 4.61 0.00 -1.23 -4.34 120.51 121.36 3knh n ALA 146 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3knh n ALA 146 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3knh n ALA 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knh n LYS 147 N -0.75 0.05 -3.60 0.00 4.76 -1.25 -4.88 118.16 112.49 3knh n LYS 147 Ca 0.00 -0.01 -0.04 0.00 -2.87 0.00 0.00 58.31 55.39 3knh n LYS 147 Cb 0.00 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.67 3knh n LYS 147 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3knh s GLY 148 N -3.11 -0.28 -0.30 0.72 0.00 -1.23 -1.59 107.32 101.53 3knh s GLY 148 Ca 0.07 1.62 -0.16 0.00 0.00 0.00 0.00 44.72 46.25 3knh s GLY 148 CO 0.86 0.54 1.13 0.00 0.00 0.00 0.00 173.10 175.63 3knh s ALA 149 N -2.37 -2.59 -0.04 3.20 0.00 -0.78 -1.44 121.76 117.73 3knh s ALA 149 Ca 0.10 2.05 0.01 0.00 0.00 0.00 0.00 51.96 54.12 3knh s ALA 149 Cb -0.01 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.21 3knh s ALA 149 CO -0.04 -0.44 -0.05 0.21 0.00 0.00 0.00 175.76 175.44 3knh s LYS 150 N 1.37 0.87 -0.01 0.00 2.20 -0.72 -0.51 119.74 122.93 3knh s LYS 150 Ca -0.07 -0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.46 3knh s LYS 150 Cb -0.03 -0.86 -0.01 0.00 -1.51 0.00 0.00 37.83 35.42 3knh s LYS 150 CO -0.13 -0.07 -0.15 0.08 -0.36 0.00 0.00 175.35 174.72 3knh s VAL 151 N 0.89 1.17 0.28 4.02 1.01 0.25 -1.37 120.40 126.65 3knh s VAL 151 Ca -0.12 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3knh s VAL 151 Cb -0.14 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 3knh s VAL 151 CO 0.00 0.30 -0.05 -0.63 0.00 0.00 0.00 175.10 174.73 3knh s ILE 152 N -0.39 1.62 0.01 2.22 1.01 0.28 -2.24 121.20 123.71 3knh s ILE 152 Ca 0.05 -2.11 -0.08 0.00 0.00 0.00 0.00 60.65 58.51 3knh s ILE 152 Cb -0.06 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3knh s ILE 152 CO -0.00 -0.27 0.15 -0.69 0.00 0.00 0.00 174.94 174.12 3knh s VAL 153 N -3.03 0.09 0.84 2.92 1.01 -1.26 -2.72 120.40 118.25 3knh s VAL 153 Ca 0.30 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 3knh s VAL 153 Cb 0.04 -0.54 0.16 0.00 0.00 0.00 0.00 36.38 36.04 3knh s VAL 153 CO 0.12 -0.41 1.16 -0.55 0.00 0.00 0.00 175.10 175.43 3knh s SER 154 N -1.54 3.75 0.98 3.32 0.15 0.87 -2.41 113.70 118.81 3knh s SER 154 Ca -0.13 -0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.36 3knh s SER 154 Cb -0.06 -0.22 0.20 0.00 -1.71 0.00 0.00 66.02 64.23 3knh s SER 154 CO 0.01 -2.29 1.26 -0.83 1.20 0.00 0.00 173.24 172.58 3knh s GLY 155 N -4.80 1.71 -0.12 9.45 0.00 -1.26 -4.30 107.32 108.00 3knh s GLY 155 Ca 0.70 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 44.37 3knh s GLY 155 CO 0.49 -0.30 0.00 0.54 0.00 0.00 0.00 173.10 173.83 3knh n ARG 156 N -3.89 -0.13 -1.84 2.90 1.74 -1.26 -4.79 116.66 109.38 3knh n ARG 156 Ca 0.13 0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 3knh n ARG 156 Cb 0.60 -3.60 0.01 0.00 -1.02 0.00 0.00 32.46 28.44 3knh n ARG 156 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3knh s ILE 157 N -2.12 2.15 -1.47 0.55 1.01 -1.26 -0.34 121.20 119.72 3knh s ILE 157 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.75 3knh s ILE 157 Cb -0.00 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.40 3knh s ILE 157 CO 0.00 0.03 0.44 0.61 0.00 0.00 0.00 174.94 176.01 3knh n GLY 158 N 0.55 -0.51 2.33 6.18 0.00 -1.26 -1.43 105.19 111.06 3knh n GLY 158 Ca 0.03 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 3knh n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLY 159 N -1.30 -0.30 0.00 -0.02 0.00 0.54 -4.94 105.19 99.17 3knh n GLY 159 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3knh n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh n ALA 160 N -1.96 0.00 0.00 4.61 0.00 -0.51 -5.01 120.51 117.64 3knh n ALA 160 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3knh n ALA 160 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3knh n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3knh n GLU 161 N 0.00 1.00 -2.68 0.00 2.13 -1.26 -4.76 120.64 115.07 3knh n GLU 161 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 3knh n GLU 161 Cb 0.00 -0.75 0.00 0.00 0.27 0.00 0.00 31.44 30.96 3knh n GLU 161 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3knh n GLN 162 N -1.63 3.37 -1.62 5.31 -0.06 -1.26 -4.85 117.38 116.63 3knh n GLN 162 Ca 0.00 -3.61 -0.41 0.00 -2.00 0.00 0.00 57.00 50.97 3knh n GLN 162 Cb 0.25 -3.11 0.01 0.00 -4.06 0.00 0.00 30.24 23.33 3knh n GLN 162 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3knh n ALA 163 N 5.74 0.33 -1.42 1.69 0.00 -1.26 -4.68 120.51 120.91 3knh n ALA 163 Ca 0.40 0.24 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3knh n ALA 163 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3knh n ALA 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knh n ARG 164 N 0.16 0.00 0.00 0.00 1.74 -1.26 -4.71 116.66 112.59 3knh n ARG 164 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3knh n ARG 164 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 3knh n ARG 164 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3knh n THR 165 N -0.60 0.00 -3.11 0.55 -1.04 -1.26 -4.51 114.28 104.30 3knh n THR 165 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 3knh n THR 165 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3knh n THR 165 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3knh n GLU 166 N -1.89 0.62 -1.19 -2.82 4.07 -1.01 -4.94 120.64 113.47 3knh n GLU 166 Ca 0.00 -2.84 -0.36 0.00 -0.06 0.00 0.00 57.16 53.90 3knh n GLU 166 Cb 0.00 -1.36 0.07 0.00 -0.06 0.00 0.00 31.44 30.09 3knh n GLU 166 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3knh n TRP 167 N 1.81 -1.37 0.00 4.31 -0.00 -1.26 -4.09 117.44 116.84 3knh n TRP 167 Ca 0.20 0.32 0.00 0.00 -0.00 0.00 0.00 57.50 58.02 3knh n TRP 167 Cb 0.54 -1.85 0.00 0.00 -0.00 0.00 0.00 31.31 30.01 3knh n TRP 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3knh n ALA 168 N -2.45 0.00 -3.30 5.87 0.00 -0.95 -4.97 120.51 114.70 3knh n ALA 168 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3knh n ALA 168 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 3knh n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh n ALA 169 N 0.00 0.00 -3.65 0.00 0.00 -1.26 0.84 120.51 116.44 3knh n ALA 169 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3knh n ALA 169 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3knh n ALA 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3knh s GLN 170 N -1.17 0.02 5.96 0.00 0.74 0.33 -4.91 119.66 120.64 3knh s GLN 170 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.43 3knh s GLN 170 Cb 0.00 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.12 3knh s GLN 170 CO 0.00 -0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 3knh n GLY 171 N 1.34 1.73 3.14 2.59 0.00 -1.26 -1.86 105.19 110.86 3knh n GLY 171 Ca -0.08 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3knh n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knh s ARG 172 N 0.00 0.75 -0.37 1.61 0.52 -0.62 -4.95 118.95 115.89 3knh s ARG 172 Ca 0.00 -1.15 0.11 0.00 -0.52 0.00 0.00 55.73 54.17 3knh s ARG 172 Cb 0.00 -0.29 0.40 0.00 0.52 0.00 0.00 34.95 35.58 3knh s ARG 172 CO 0.00 0.02 1.46 0.28 0.02 0.00 0.00 175.30 177.08 3knh n VAL 173 N 0.47 0.00 -2.19 3.52 0.31 -1.26 -3.63 118.33 115.55 3knh n VAL 173 Ca -0.16 -1.22 -0.31 0.00 -0.01 0.00 0.00 64.34 62.64 3knh n VAL 173 Cb 0.59 1.00 -0.05 0.00 -0.91 0.00 0.00 33.84 34.47 3knh n VAL 173 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3knh s PRO 174 N 0.16 2.86 0.11 5.55 0.04 -1.26 -4.79 135.00 137.67 3knh s PRO 174 Ca 0.15 -1.15 -0.32 0.00 0.04 0.00 0.00 61.00 59.72 3knh s PRO 174 Cb 0.43 -5.27 -0.12 0.00 0.04 0.00 0.00 34.50 29.58 3knh s PRO 174 CO -0.11 -3.43 1.59 -0.07 0.04 0.00 0.00 177.00 175.02 3knh h LEU 175 N 16.47 -1.24 0.00 -3.56 4.07 -2.00 -2.72 115.31 126.33 3knh h LEU 175 Ca 0.24 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.32 3knh h LEU 175 Cb 0.94 0.45 0.00 0.00 1.08 0.00 0.00 40.66 43.13 3knh h LEU 175 CO 1.28 -0.52 0.05 1.41 -1.08 0.00 0.00 178.44 179.57 3knh n HIS 176 N -5.48 0.00 -3.86 1.13 8.25 -1.26 -4.46 115.22 109.54 3knh n HIS 176 Ca -0.08 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 3knh n HIS 176 Cb 0.39 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 3knh n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3knh s THR 177 N -1.45 5.48 -0.10 1.59 2.01 -1.03 -5.03 115.64 117.11 3knh s THR 177 Ca 0.00 0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 3knh s THR 177 Cb 0.00 -3.42 -0.28 0.00 0.01 0.00 0.00 72.50 68.81 3knh s THR 177 CO 0.00 0.62 0.79 -0.07 -0.69 0.00 0.00 174.62 175.27 3knh h LEU 178 N 4.97 0.20 -0.70 4.42 -0.00 -1.89 -3.34 115.31 118.98 3knh h LEU 178 Ca -0.55 -0.96 0.00 0.00 -0.00 0.00 0.00 57.88 56.37 3knh h LEU 178 Cb 1.23 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3knh h LEU 178 CO 0.58 1.19 0.00 -2.11 -0.00 0.00 0.00 178.44 178.10 3knh n ARG 179 N -4.39 0.94 0.05 1.13 1.85 -1.26 -3.87 116.66 111.11 3knh n ARG 179 Ca -0.13 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.86 3knh n ARG 179 Cb 0.64 -1.33 0.52 0.00 -1.05 0.00 0.00 32.46 31.24 3knh n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knh n ALA 180 N -0.13 2.29 -2.59 2.89 0.00 -1.25 -3.40 120.51 118.32 3knh n ALA 180 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.18 3knh n ALA 180 Cb 0.16 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.17 3knh n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3knh n ASN 181 N -1.85 -3.91 -4.19 0.00 5.15 -1.25 -3.98 115.26 105.23 3knh n ASN 181 Ca 0.06 -0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.73 3knh n ASN 181 Cb 0.38 -1.07 -0.17 0.00 -0.53 0.00 0.00 39.78 38.39 3knh n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3knh s ILE 182 N -0.89 1.89 0.34 -1.44 1.01 -1.26 -3.56 121.20 117.28 3knh s ILE 182 Ca 0.19 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 3knh s ILE 182 Cb -0.02 -1.64 -0.10 0.00 0.01 0.00 0.00 42.46 40.72 3knh s ILE 182 CO 0.42 0.52 0.81 -0.62 0.00 0.00 0.00 174.94 176.08 3knh s ASP 183 N 0.37 6.90 0.39 3.58 3.68 -1.20 -4.84 116.67 125.56 3knh s ASP 183 Ca -0.17 1.46 0.03 0.00 2.13 0.00 0.00 52.55 56.00 3knh s ASP 183 Cb -0.17 -2.44 -0.01 0.00 -1.45 0.00 0.00 42.92 38.84 3knh s ASP 183 CO 0.08 -0.21 0.12 0.00 0.13 0.00 0.00 175.17 175.29 3knh n TYR 184 N -0.22 0.24 0.00 -5.34 9.36 -1.26 -1.70 117.16 118.23 3knh n TYR 184 Ca 0.04 -2.45 0.00 0.00 3.32 0.00 0.00 57.90 58.81 3knh n TYR 184 Cb 0.53 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 3knh n TYR 184 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3knh n GLY 185 N -0.62 0.65 3.81 2.98 0.00 -1.19 -3.56 105.19 107.25 3knh n GLY 185 Ca -0.07 0.44 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 3knh n GLY 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3knh s PHE 186 N 0.00 3.63 -0.03 1.61 5.36 -1.26 -3.68 117.98 123.60 3knh s PHE 186 Ca 0.00 1.45 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 3knh s PHE 186 Cb 0.00 -2.67 0.03 0.00 -0.34 0.00 0.00 43.02 40.04 3knh s PHE 186 CO 0.00 0.29 0.06 0.00 -1.46 0.00 0.00 175.22 174.11 3knh s ALA 187 N -1.59 0.03 1.28 11.12 0.00 -0.27 -4.97 121.76 127.37 3knh s ALA 187 Ca 0.45 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 3knh s ALA 187 Cb -0.16 -0.36 0.26 0.00 0.00 0.00 0.00 23.12 22.85 3knh s ALA 187 CO 0.21 -0.19 0.72 1.28 0.00 0.00 0.00 175.76 177.78 3knh n LEU 188 N 4.39 0.00 -2.93 0.00 7.99 -1.26 -2.00 117.00 123.19 3knh n LEU 188 Ca -0.23 -0.74 -0.02 0.00 -0.01 0.00 0.00 56.01 55.01 3knh n LEU 188 Cb 0.50 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 3knh n LEU 188 CO 0.18 -2.20 0.16 0.00 -1.51 0.00 0.00 177.39 174.02 3knh s ALA 189 N -2.51 -2.59 0.01 -1.18 0.00 -1.26 -4.73 121.76 109.49 3knh s ALA 189 Ca 0.51 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 3knh s ALA 189 Cb -0.07 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 3knh s ALA 189 CO 0.41 -2.28 1.43 1.03 0.00 0.00 0.00 175.76 176.35 3knh s ARG 190 N 1.35 4.27 0.00 0.00 0.52 -1.26 -2.69 118.95 121.14 3knh s ARG 190 Ca 0.23 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 3knh s ARG 190 Cb -0.00 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 31.89 3knh s ARG 190 CO -0.07 -0.59 0.00 0.25 0.02 0.00 0.00 175.30 174.91 3knh n THR 191 N 4.68 0.00 0.21 0.02 -2.24 -1.24 -4.79 114.28 110.92 3knh n THR 191 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 3knh n THR 191 Cb 0.43 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.88 3knh n THR 191 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3knh h THR 192 N 0.87 0.19 -2.78 4.28 2.02 -1.99 -3.38 112.91 112.12 3knh h THR 192 Ca 0.00 -1.17 -0.63 0.00 0.77 0.00 0.00 66.41 65.38 3knh h THR 192 Cb 0.00 2.01 -0.41 0.00 -1.74 0.00 0.00 68.15 68.01 3knh h THR 192 CO 0.00 0.10 -0.50 0.00 0.37 0.00 0.00 175.52 175.49 3knh n TYR 193 N -3.14 3.48 -1.23 3.16 0.18 -1.26 -5.07 117.16 113.27 3knh n TYR 193 Ca 0.03 -4.20 0.16 0.00 1.88 0.00 0.00 57.90 55.77 3knh n TYR 193 Cb 0.54 -0.67 -0.05 0.00 -0.38 0.00 0.00 39.34 38.78 3knh n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3knh n GLY 194 N 1.56 -1.74 3.93 -7.48 0.00 -1.26 -4.83 105.19 95.37 3knh n GLY 194 Ca 0.24 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 3knh n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knh s VAL 195 N -2.37 2.17 0.00 1.61 1.01 -1.26 -3.66 120.40 117.90 3knh s VAL 195 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3knh s VAL 195 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3knh s VAL 195 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.28 3knh n LEU 196 N -3.12 0.00 0.00 3.92 7.99 -1.10 -4.92 117.00 119.78 3knh n LEU 196 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 3knh n LEU 196 Cb 0.60 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 3knh n LEU 196 CO 0.52 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 3knh n GLY 197 N 5.00 3.19 3.25 -0.72 0.00 -1.26 -4.71 105.19 109.94 3knh n GLY 197 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3knh n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knh s VAL 198 N 0.00 1.73 -0.01 1.61 1.01 -0.85 -0.09 120.40 123.80 3knh s VAL 198 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.97 3knh s VAL 198 Cb 0.00 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3knh s VAL 198 CO 0.00 0.37 -0.16 -0.54 0.00 0.00 0.00 175.10 174.77 3knh s LYS 199 N -0.81 1.32 0.05 2.72 1.02 -1.10 -1.11 119.74 121.81 3knh s LYS 199 Ca 0.08 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.51 3knh s LYS 199 Cb -0.09 -1.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 3knh s LYS 199 CO 0.00 0.35 -0.09 0.00 -0.92 0.00 0.00 175.35 174.69 3knh s ALA 200 N -0.40 0.70 -0.02 5.17 0.00 -1.24 -0.56 121.76 125.42 3knh s ALA 200 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 3knh s ALA 200 Cb -0.06 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3knh s ALA 200 CO -0.01 0.02 0.04 0.71 0.00 0.00 0.00 175.76 176.53 3knh s TYR 201 N -1.34 -0.03 -0.25 0.00 1.51 -0.47 -3.18 117.35 113.59 3knh s TYR 201 Ca -0.08 0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 3knh s TYR 201 Cb -0.10 -0.08 0.08 0.00 -0.11 0.00 0.00 41.96 41.75 3knh s TYR 201 CO 0.01 -0.05 0.05 0.42 -1.11 0.00 0.00 175.55 174.86 3knh s ILE 202 N 0.46 0.88 0.36 2.71 -1.09 -0.69 -1.76 121.20 122.06 3knh s ILE 202 Ca -0.04 -1.05 -0.28 0.00 -2.23 0.00 0.00 60.65 57.05 3knh s ILE 202 Cb -0.05 -1.46 -0.10 0.00 -1.58 0.00 0.00 42.46 39.27 3knh s ILE 202 CO -0.01 -0.39 1.37 0.12 -1.23 0.00 0.00 174.94 174.79 3knh s PHE 203 N 1.66 2.85 0.07 3.97 5.36 -0.52 -3.21 117.98 128.16 3knh s PHE 203 Ca 0.03 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 3knh s PHE 203 Cb -0.17 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 3knh s PHE 203 CO -0.15 -2.28 0.00 1.28 -1.46 0.00 0.00 175.22 172.61 3knh n LEU 204 N 0.58 -0.22 0.00 6.12 4.77 -1.23 -3.54 117.00 123.47 3knh n LEU 204 Ca 0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3knh n LEU 204 Cb 0.41 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3knh n LEU 204 CO 0.60 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3knh n GLY 205 N 0.91 4.50 3.62 -0.72 0.00 -1.24 -4.78 105.19 107.48 3knh n GLY 205 Ca 0.00 -2.16 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 3knh n GLY 205 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knh s GLU 206 N -1.74 1.63 0.00 1.61 2.12 -1.25 -4.46 118.70 116.61 3knh s GLU 206 Ca 0.00 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.07 3knh s GLU 206 Cb 0.00 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.88 3knh s GLU 206 CO 0.00 -0.69 0.00 0.28 -0.54 0.00 0.00 175.26 174.31 3knh n VAL 207 N -0.41 0.00 0.00 3.70 0.31 -1.22 -4.99 118.33 115.72 3knh n VAL 207 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3knh n VAL 207 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 3knh n VAL 207 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81