#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n LYS 8 N 0.00 0.00 0.00 5.55 4.76 -1.26 -4.60 118.16 122.61 3knn n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3knn n LYS 8 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3knn n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3knn n GLU 9 N 0.00 0.00 0.00 1.97 0.00 -1.26 -2.70 120.64 118.65 3knn n GLU 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3knn n GLU 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3knn n GLU 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3knn n LEU 10 N 0.00 0.00 0.12 4.31 4.77 -1.26 0.69 117.00 125.62 3knn n LEU 10 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 3knn n LEU 10 Cb 0.00 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.66 3knn n LEU 10 CO 0.00 0.00 1.16 -0.07 -1.33 0.00 0.00 177.39 177.15 3knn h LEU 11 N 0.00 0.00 0.10 2.23 3.38 -1.76 0.15 115.31 119.40 3knn h LEU 11 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3knn h LEU 11 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3knn h LEU 11 CO 0.00 0.00 -0.17 -0.33 0.09 0.00 0.00 178.44 178.03 3knn h GLU 12 N 0.00 -0.31 -0.75 1.13 5.08 0.10 0.11 114.58 119.94 3knn h GLU 12 Ca 0.19 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3knn h GLU 12 Cb 1.56 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.84 3knn h GLU 12 CO -0.00 -0.21 0.49 0.00 -1.00 0.00 0.00 179.01 178.29 3knn h ALA 13 N 0.52 1.71 0.00 3.43 0.00 -0.92 -2.26 119.26 121.74 3knn h ALA 13 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3knn h ALA 13 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3knn h ALA 13 CO -0.09 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.73 3knn n GLY 14 N -1.44 0.00 0.00 0.00 0.00 0.37 -3.42 105.19 100.70 3knn n GLY 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3knn n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3knn n VAL 15 N -2.36 0.00 -3.18 1.61 0.24 -1.23 -5.09 118.33 108.33 3knn n VAL 15 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 3knn n VAL 15 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3knn n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3knn n HIS 16 N 0.00 0.37 -3.65 6.34 -0.00 -0.85 -4.24 115.22 113.19 3knn n HIS 16 Ca 0.00 -3.82 -0.02 0.00 -0.00 0.00 0.00 57.72 53.88 3knn n HIS 16 Cb 0.00 -0.42 -0.03 0.00 -0.00 0.00 0.00 29.99 29.54 3knn n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3knn s PHE 17 N -2.45 -0.01 0.00 4.41 -0.00 -1.26 -4.44 117.98 114.23 3knn s PHE 17 Ca 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 56.93 57.35 3knn s PHE 17 Cb 0.34 0.50 0.00 0.00 -0.00 0.00 0.00 43.02 43.86 3knn s PHE 17 CO -0.08 -0.02 0.00 0.41 -0.00 0.00 0.00 175.22 175.53 3knn n GLY 18 N 0.15 0.77 3.65 1.99 0.00 -1.26 -4.93 105.19 105.56 3knn n GLY 18 Ca 0.04 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 3knn n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3knn s HIS 19 N -1.28 3.32 0.34 1.61 2.46 -1.26 -4.87 115.29 115.61 3knn s HIS 19 Ca 0.00 0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.88 3knn s HIS 19 Cb 0.00 -2.38 0.00 0.00 -0.13 0.00 0.00 32.58 30.07 3knn s HIS 19 CO 0.00 0.00 0.00 0.39 -2.47 0.00 0.00 174.74 172.66 3knn n GLU 20 N 4.49 -1.82 -4.68 2.88 -0.58 -1.26 -4.34 120.64 115.33 3knn n GLU 20 Ca -0.12 1.49 -0.24 0.00 -0.42 0.00 0.00 57.16 57.86 3knn n GLU 20 Cb 0.52 -2.35 -0.15 0.00 -0.57 0.00 0.00 31.44 28.89 3knn n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3knn s ARG 21 N -4.67 1.31 0.00 3.49 1.70 -1.26 -2.06 118.95 117.45 3knn s ARG 21 Ca 0.00 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3knn s ARG 21 Cb 0.00 -1.32 0.00 0.00 -0.57 0.00 0.00 34.95 33.06 3knn s ARG 21 CO 0.00 0.35 0.00 1.63 -1.08 0.00 0.00 175.30 176.20 3knn n LYS 22 N 2.28 0.00 -1.53 3.89 4.76 -1.26 -4.69 118.16 121.62 3knn n LYS 22 Ca -0.16 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.08 3knn n LYS 22 Cb 0.54 0.00 -0.16 0.00 -1.84 0.00 0.00 35.03 33.57 3knn n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3knn n ARG 23 N 0.00 0.26 0.00 1.97 0.63 -1.26 -4.73 116.66 113.53 3knn n ARG 23 Ca 0.00 -0.34 0.00 0.00 -0.92 0.00 0.00 57.85 56.59 3knn n ARG 23 Cb 0.00 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 30.73 3knn n ARG 23 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 3knn n TRP 24 N 11.35 0.00 -3.15 -0.14 4.27 -1.26 -4.84 117.44 123.67 3knn n TRP 24 Ca 0.59 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 54.24 3knn n TRP 24 Cb 0.26 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.21 3knn n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 3knn s ASN 25 N 1.00 -1.40 0.53 -0.67 3.84 -1.25 -4.94 114.94 112.05 3knn s ASN 25 Ca 0.00 0.27 0.47 0.00 0.21 0.00 0.00 52.86 53.81 3knn s ASN 25 Cb 0.00 1.93 1.69 0.00 -0.55 0.00 0.00 41.25 44.32 3knn s ASN 25 CO 0.00 -0.26 1.57 -0.81 -2.79 0.00 0.00 177.10 174.81 3knn n PRO 26 N 5.38 -0.01 0.29 0.43 -0.04 -1.26 -0.08 135.00 139.71 3knn n PRO 26 Ca 0.04 1.12 0.18 0.00 -0.04 0.00 0.00 63.50 64.81 3knn n PRO 26 Cb 0.54 -2.51 0.94 0.00 -0.04 0.00 0.00 33.50 32.44 3knn n PRO 26 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3knn h LYS 27 N 0.00 0.00 -0.01 0.54 1.57 -1.97 0.01 116.57 116.72 3knn h LYS 27 Ca 0.93 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.71 3knn h LYS 27 Cb 3.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.91 3knn h LYS 27 CO -0.11 0.00 -0.60 0.34 -0.57 0.00 0.00 179.45 178.51 3knn n PHE 28 N -2.78 0.00 -0.20 -1.35 -0.00 0.89 -4.43 117.46 109.59 3knn n PHE 28 Ca -0.02 0.00 0.29 0.00 -0.00 0.00 0.00 57.45 57.72 3knn n PHE 28 Cb 0.14 -0.01 0.55 0.00 -0.00 0.00 0.00 39.48 40.16 3knn n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3knn h ALA 29 N 3.65 2.89 0.00 3.13 0.00 -1.11 0.55 119.26 128.37 3knn h ALA 29 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3knn h ALA 29 Cb 0.68 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3knn h ALA 29 CO 0.00 -1.59 -0.58 0.07 0.00 0.00 0.00 179.25 177.16 3knn h ARG 30 N 0.00 0.00 -0.96 0.00 0.11 -1.81 -3.12 114.38 108.60 3knn h ARG 30 Ca 0.48 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 60.23 3knn h ARG 30 Cb 2.61 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 33.50 3knn h ARG 30 CO -0.01 0.58 0.41 0.66 0.10 0.00 0.00 179.97 181.71 3knn n TYR 31 N -3.81 2.08 -4.62 4.08 0.53 0.19 -4.89 117.16 110.71 3knn n TYR 31 Ca -0.01 -1.34 -0.30 0.00 -1.02 0.00 0.00 57.90 55.23 3knn n TYR 31 Cb 0.59 -0.70 -0.13 0.00 -1.03 0.00 0.00 39.34 38.07 3knn n TYR 31 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3knn s ILE 32 N -2.31 2.57 -0.02 -0.72 1.09 -1.18 -2.11 121.20 118.51 3knn s ILE 32 Ca 0.40 -1.37 0.08 0.00 -1.10 0.00 0.00 60.65 58.65 3knn s ILE 32 Cb 0.33 -2.09 -0.12 0.00 -1.06 0.00 0.00 42.46 39.53 3knn s ILE 32 CO 0.08 0.27 0.14 0.00 -0.10 0.00 0.00 174.94 175.33 3knn n TYR 33 N 1.38 0.00 -3.62 3.97 9.36 0.18 -4.55 117.16 123.89 3knn n TYR 33 Ca -0.16 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.03 3knn n TYR 33 Cb 0.52 -0.22 -0.02 0.00 -0.63 0.00 0.00 39.34 39.00 3knn n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knn s ALA 34 N -2.47 -2.19 -2.22 2.98 0.00 -1.00 -4.99 121.76 111.87 3knn s ALA 34 Ca -0.03 1.67 0.20 0.00 0.00 0.00 0.00 51.96 53.80 3knn s ALA 34 Cb 0.04 -0.21 0.31 0.00 0.00 0.00 0.00 23.12 23.26 3knn s ALA 34 CO 0.32 -0.63 1.26 -1.91 0.00 0.00 0.00 175.76 174.80 3knn n GLU 35 N -0.10 2.16 -1.24 0.00 2.13 -1.26 0.11 120.64 122.44 3knn n GLU 35 Ca 0.02 -2.00 -0.56 0.00 0.66 0.00 0.00 57.16 55.28 3knn n GLU 35 Cb 0.58 -1.43 -0.10 0.00 0.27 0.00 0.00 31.44 30.76 3knn n GLU 35 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3knn n ARG 36 N 1.22 0.00 -2.07 5.31 3.00 -1.26 -3.98 116.66 118.87 3knn n ARG 36 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.99 3knn n ARG 36 Cb 0.53 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.64 3knn n ARG 36 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3knn n ASN 37 N 5.97 -8.51 0.00 0.55 2.85 -1.26 -4.59 115.26 110.28 3knn n ASN 37 Ca 0.44 1.48 0.00 0.00 -0.11 0.00 0.00 54.58 56.39 3knn n ASN 37 Cb -0.04 -4.69 0.00 0.00 1.24 0.00 0.00 39.78 36.29 3knn n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3knn n GLY 38 N 1.65 0.34 3.43 8.20 0.00 -1.26 -4.57 105.19 112.99 3knn n GLY 38 Ca 0.00 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3knn n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3knn n ILE 39 N 0.00 0.69 -3.20 -0.61 5.41 -1.26 -4.26 119.36 116.12 3knn n ILE 39 Ca 0.00 -0.27 -0.43 0.00 1.00 0.00 0.00 62.75 63.05 3knn n ILE 39 Cb 0.00 -0.66 -0.08 0.00 -0.71 0.00 0.00 39.64 38.20 3knn n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3knn s HIS 40 N -2.20 3.11 -0.31 1.39 3.76 -0.88 -4.25 115.29 115.91 3knn s HIS 40 Ca 0.60 -0.21 -0.28 0.00 -0.15 0.00 0.00 55.06 55.02 3knn s HIS 40 Cb -0.26 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.24 3knn s HIS 40 CO 0.64 -0.80 2.10 0.42 -0.85 0.00 0.00 174.74 176.26 3knn s ILE 41 N 2.51 3.16 0.62 0.60 1.09 0.31 -4.10 121.20 125.40 3knn s ILE 41 Ca 0.18 0.16 -0.18 0.00 -1.10 0.00 0.00 60.65 59.71 3knn s ILE 41 Cb -0.15 -3.25 -0.02 0.00 -1.06 0.00 0.00 42.46 37.98 3knn s ILE 41 CO 0.16 -0.17 1.21 -0.51 -0.10 0.00 0.00 174.94 175.53 3knn s ILE 42 N 8.47 2.54 -0.47 2.92 2.07 -1.26 0.51 121.20 135.97 3knn s ILE 42 Ca 0.92 0.32 -0.29 0.00 -1.41 0.00 0.00 60.65 60.20 3knn s ILE 42 Cb -0.27 -3.07 0.02 0.00 0.13 0.00 0.00 42.46 39.28 3knn s ILE 42 CO 0.33 -0.09 1.22 -0.62 -1.91 0.00 0.00 174.94 173.86 3knn s ASP 43 N -1.69 6.53 0.12 4.50 2.15 -0.90 -4.39 116.67 122.99 3knn s ASP 43 Ca 0.77 0.51 -0.24 0.00 0.43 0.00 0.00 52.55 54.02 3knn s ASP 43 Cb -0.30 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.70 3knn s ASP 43 CO 0.36 -1.33 1.67 -0.07 -0.17 0.00 0.00 175.17 175.63 3knn h LEU 44 N 11.57 -0.50 0.13 -1.34 4.07 -1.91 -3.10 115.31 124.23 3knn h LEU 44 Ca -0.24 0.07 0.02 0.00 0.08 0.00 0.00 57.88 57.81 3knn h LEU 44 Cb 1.07 0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.98 3knn h LEU 44 CO 1.13 -0.24 -0.29 -0.61 -1.08 0.00 0.00 178.44 177.35 3knn h GLN 45 N -0.29 -0.50 0.00 1.13 4.15 -2.00 -1.09 115.11 116.51 3knn h GLN 45 Ca 0.05 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3knn h GLN 45 Cb 0.35 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3knn h GLN 45 CO -0.15 -0.33 0.08 1.63 -1.93 0.00 0.00 178.83 178.12 3knn n LYS 46 N -5.40 0.03 0.06 1.69 5.02 -1.21 -0.01 118.16 118.33 3knn n LYS 46 Ca -0.07 0.47 -0.13 0.00 -2.02 0.00 0.00 58.31 56.56 3knn n LYS 46 Cb 0.31 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3knn n LYS 46 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3knn h THR 47 N 0.00 1.39 0.37 -0.18 2.02 -1.12 -2.97 112.91 112.42 3knn h THR 47 Ca 0.00 -2.34 -0.02 0.00 0.77 0.00 0.00 66.41 64.83 3knn h THR 47 Cb 0.16 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3knn h THR 47 CO 0.00 0.70 -0.18 -0.03 0.37 0.00 0.00 175.52 176.38 3knn h MET 48 N 0.26 -0.48 -1.54 6.66 1.85 -0.48 -0.80 114.93 120.41 3knn h MET 48 Ca -0.06 0.03 0.45 0.00 -0.61 0.00 0.00 59.70 59.50 3knn h MET 48 Cb 1.49 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 33.57 3knn h MET 48 CO 0.15 -0.32 1.20 0.93 -0.40 0.00 0.00 176.91 178.47 3knn h GLU 49 N -0.77 0.00 0.00 0.39 5.08 -1.64 0.59 114.58 118.23 3knn h GLU 49 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3knn h GLU 49 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3knn h GLU 49 CO 0.08 0.00 -0.15 0.93 -1.00 0.00 0.00 179.01 178.88 3knn h GLU 50 N 0.00 0.00 -0.37 2.33 4.39 -1.48 -3.13 114.58 116.32 3knn h GLU 50 Ca 0.73 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.51 3knn h GLU 50 Cb 3.12 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 31.69 3knn h GLU 50 CO -0.01 0.53 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.95 3knn h LEU 51 N -1.00 -1.13 -0.80 1.33 3.38 0.12 0.78 115.31 117.98 3knn h LEU 51 Ca -0.03 0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.28 3knn h LEU 51 Cb 0.59 0.52 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 3knn h LEU 51 CO -0.02 -0.34 -0.28 -0.08 0.09 0.00 0.00 178.44 177.82 3knn h GLU 52 N -0.29 -0.04 0.00 1.13 4.81 -0.18 0.59 114.58 120.60 3knn h GLU 52 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3knn h GLU 52 Cb 0.55 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3knn h GLU 52 CO -0.52 -0.03 0.00 -0.09 -0.73 0.00 0.00 179.01 177.64 3knn h ARG 53 N -0.04 0.00 0.07 1.92 1.12 -1.14 -3.07 114.38 113.23 3knn h ARG 53 Ca 0.34 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.21 3knn h ARG 53 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.55 3knn h ARG 53 CO -0.83 0.00 -0.03 1.15 -3.11 0.00 0.00 179.97 177.14 3knn h THR 54 N 0.00 0.73 -0.01 0.20 2.02 0.46 -3.32 112.91 112.99 3knn h THR 54 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3knn h THR 54 Cb 0.91 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3knn h THR 54 CO 0.00 0.23 0.02 -0.26 0.37 0.00 0.00 175.52 175.88 3knn h PHE 55 N -0.97 0.00 -0.49 3.16 0.04 -0.16 -0.18 116.94 118.33 3knn h PHE 55 Ca -0.01 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.86 3knn h PHE 55 Cb 0.45 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.50 3knn h PHE 55 CO 0.10 0.00 -0.18 0.00 -0.60 0.00 0.00 178.31 177.63 3knn h ARG 56 N 0.00 -0.07 -0.25 1.51 2.47 -1.63 0.97 114.38 117.39 3knn h ARG 56 Ca 0.01 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.59 3knn h ARG 56 Cb 0.04 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 3knn h ARG 56 CO -0.00 -0.04 -0.43 0.35 0.56 0.00 0.00 179.97 180.41 3knn h PHE 57 N -0.07 0.73 -0.10 3.04 3.57 -1.21 -1.95 116.94 120.96 3knn h PHE 57 Ca 0.24 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3knn h PHE 57 Cb 0.43 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3knn h PHE 57 CO -0.47 0.93 0.02 0.82 -2.23 0.00 0.00 178.31 177.39 3knn h ILE 58 N 0.50 1.19 0.66 1.41 1.08 -0.12 -2.29 117.51 119.93 3knn h ILE 58 Ca 0.04 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.89 3knn h ILE 58 Cb 0.95 1.40 0.01 0.00 -3.07 0.00 0.00 36.82 36.10 3knn h ILE 58 CO 0.09 0.17 -0.33 -0.08 -0.69 0.00 0.00 178.15 177.30 3knn h GLU 59 N -0.05 -0.87 -0.60 2.37 4.81 0.90 -0.88 114.58 120.26 3knn h GLU 59 Ca 0.03 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.44 3knn h GLU 59 Cb 0.24 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 3knn h GLU 59 CO 0.00 -0.58 -0.23 0.22 -0.73 0.00 0.00 179.01 177.69 3knn h ASP 60 N -0.90 -0.83 0.05 1.04 -0.00 -1.43 1.55 116.42 115.90 3knn h ASP 60 Ca -0.09 0.21 -0.01 0.00 -0.00 0.00 0.00 57.03 57.14 3knn h ASP 60 Cb 0.70 0.47 -0.00 0.00 -0.00 0.00 0.00 39.33 40.49 3knn h ASP 60 CO 0.14 -0.26 -0.04 0.25 -0.00 0.00 0.00 179.24 179.34 3knn h LEU 61 N -0.08 0.00 0.20 2.28 5.85 -1.41 -2.57 115.31 119.58 3knn h LEU 61 Ca 0.27 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3knn h LEU 61 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3knn h LEU 61 CO -0.66 0.04 -0.10 0.00 -0.34 0.00 0.00 178.44 177.38 3knn h ALA 62 N 1.96 -0.27 0.00 1.25 0.00 0.34 -2.31 119.26 120.24 3knn h ALA 62 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3knn h ALA 62 Cb 0.08 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3knn h ALA 62 CO 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3knn h MET 63 N -0.85 0.00 -0.12 0.00 -0.00 -0.02 -0.37 114.93 113.57 3knn h MET 63 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.62 3knn h MET 63 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.08 3knn h MET 63 CO 0.04 0.00 -0.26 2.89 -0.00 0.00 0.00 176.91 179.59 3knn n ARG 64 N -2.74 1.70 -1.41 -0.10 1.85 -0.99 -4.78 116.66 110.19 3knn n ARG 64 Ca -0.02 -3.11 0.00 0.00 -1.00 0.00 0.00 57.85 53.72 3knn n ARG 64 Cb 0.09 -1.67 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 3knn n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knn n GLY 65 N -1.13 0.00 2.68 2.89 0.00 -0.15 -4.99 105.19 104.49 3knn n GLY 65 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 3knn n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knn s GLY 66 N 0.00 0.20 0.09 -0.02 0.00 -0.92 -5.02 107.32 101.65 3knn s GLY 66 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.61 3knn s GLY 66 CO 0.00 1.79 0.25 -1.30 0.00 0.00 0.00 173.10 173.84 3knn n THR 67 N 5.30 0.89 -3.72 0.90 -2.24 -1.26 -4.53 114.28 109.61 3knn n THR 67 Ca -0.06 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 3knn n THR 67 Cb 0.49 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 3knn n THR 67 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3knn s ILE 68 N -0.45 0.79 -0.42 2.28 -1.09 -1.26 -0.84 121.20 120.21 3knn s ILE 68 Ca 0.30 -1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 57.14 3knn s ILE 68 Cb -0.43 -1.57 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 3knn s ILE 68 CO 0.26 -0.64 1.27 -0.22 -1.23 0.00 0.00 174.94 174.37 3knn s LEU 69 N 1.67 3.67 -0.17 2.97 2.96 -1.12 -4.01 118.68 124.64 3knn s LEU 69 Ca 0.09 0.76 -0.22 0.00 -0.22 0.00 0.00 54.13 54.53 3knn s LEU 69 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3knn s LEU 69 CO -0.25 -1.28 0.68 -0.36 -1.32 0.00 0.00 176.35 173.83 3knn s PHE 70 N 4.80 3.41 -0.13 5.38 0.40 -0.94 -2.02 117.98 128.87 3knn s PHE 70 Ca 0.54 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.92 3knn s PHE 70 Cb -0.11 -2.85 0.02 0.00 0.51 0.00 0.00 43.02 40.59 3knn s PHE 70 CO 0.30 -0.15 -0.15 0.08 0.70 0.00 0.00 175.22 176.00 3knn s VAL 71 N 1.82 1.55 -0.31 -0.44 1.01 -0.15 -1.09 120.40 122.79 3knn s VAL 71 Ca 0.32 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3knn s VAL 71 Cb -0.16 -1.44 0.13 0.00 0.00 0.00 0.00 36.38 34.91 3knn s VAL 71 CO 0.12 0.45 0.24 -0.83 0.00 0.00 0.00 175.10 175.08 3knn s GLY 72 N 1.29 0.22 -0.06 4.51 0.00 -1.14 -1.74 107.32 110.40 3knn s GLY 72 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 44.72 43.59 3knn s GLY 72 CO -0.07 2.40 0.97 -0.91 0.00 0.00 0.00 173.10 175.49 3knn h THR 73 N 5.94 1.57 -2.27 0.90 1.35 -1.81 -3.41 112.91 115.19 3knn h THR 73 Ca -0.10 -2.12 -0.39 0.00 -0.55 0.00 0.00 66.41 63.25 3knn h THR 73 Cb 1.04 2.93 0.21 0.00 -1.73 0.00 0.00 68.15 70.60 3knn h THR 73 CO 0.34 0.58 -0.83 2.29 -0.25 0.00 0.00 175.52 177.65 3knn n LYS 74 N -4.44 -2.03 -0.00 4.72 0.00 -1.26 -4.82 118.16 110.33 3knn n LYS 74 Ca -0.11 -0.58 -0.03 0.00 -0.00 0.00 0.00 58.31 57.59 3knn n LYS 74 Cb 0.57 -1.67 -0.11 0.00 -0.00 0.00 0.00 35.03 33.82 3knn n LYS 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3knn n LYS 75 N -2.33 0.63 -0.05 -1.58 4.76 -1.26 -2.90 118.16 115.44 3knn n LYS 75 Ca 0.03 0.19 0.18 0.00 -2.87 0.00 0.00 58.31 55.83 3knn n LYS 75 Cb 0.56 -1.75 0.61 0.00 -1.84 0.00 0.00 35.03 32.61 3knn n LYS 75 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 3knn h GLN 76 N 0.00 0.16 -0.31 1.97 4.20 -1.92 -1.70 115.11 117.52 3knn h GLN 76 Ca -0.23 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.22 3knn h GLN 76 Cb 1.74 -0.04 -0.26 0.00 0.30 0.00 0.00 27.48 29.23 3knn h GLN 76 CO 0.05 0.11 -0.78 0.00 -0.67 0.00 0.00 178.83 177.54 3knn n ALA 77 N -2.59 3.77 0.02 3.87 0.00 -1.25 -4.69 120.51 119.64 3knn n ALA 77 Ca 0.11 -3.25 -0.22 0.00 0.00 0.00 0.00 53.44 50.08 3knn n ALA 77 Cb 0.55 -0.47 -0.14 0.00 0.00 0.00 0.00 19.45 19.38 3knn n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3knn h GLN 78 N 1.62 0.29 0.00 0.00 4.15 -1.17 -3.28 115.11 116.71 3knn h GLN 78 Ca 0.07 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 59.00 3knn h GLN 78 Cb 1.36 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.23 3knn h GLN 78 CO 0.29 1.23 0.00 -0.25 -1.93 0.00 0.00 178.83 178.18 3knn n ASP 79 N -3.71 0.00 -0.66 -0.69 8.00 -1.26 -3.52 116.55 114.71 3knn n ASP 79 Ca -0.27 0.51 0.50 0.00 0.71 0.00 0.00 54.79 56.23 3knn n ASP 79 Cb 0.99 -0.05 0.77 0.00 -0.02 0.00 0.00 41.12 42.81 3knn n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knn n ILE 80 N -0.64 -0.02 -1.19 0.53 3.06 -1.26 -1.14 119.36 118.69 3knn n ILE 80 Ca 0.00 1.44 -0.23 0.00 -2.50 0.00 0.00 62.75 61.46 3knn n ILE 80 Cb 0.00 -2.40 0.00 0.00 0.54 0.00 0.00 39.64 37.79 3knn n ILE 80 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 3knn n VAL 81 N -3.89 3.09 0.00 9.51 0.31 -1.23 -2.79 118.33 123.33 3knn n VAL 81 Ca 0.42 -2.35 0.00 0.00 -0.01 0.00 0.00 64.34 62.40 3knn n VAL 81 Cb 1.88 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 3knn n VAL 81 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knn n ARG 82 N 0.45 1.17 0.00 5.55 0.63 -0.29 -4.59 116.66 119.59 3knn n ARG 82 Ca 0.41 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 3knn n ARG 82 Cb 0.57 -0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.13 3knn n ARG 82 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 3knn n MET 83 N -0.36 0.00 0.16 -0.14 2.81 -1.12 -2.31 117.12 116.16 3knn n MET 83 Ca 0.00 0.39 0.09 0.00 -1.81 0.00 0.00 57.70 56.37 3knn n MET 83 Cb 0.00 -1.08 0.48 0.00 -0.71 0.00 0.00 33.22 31.91 3knn n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3knn n GLU 84 N -1.67 0.12 0.04 0.03 -0.58 -1.15 -0.78 120.64 116.64 3knn n GLU 84 Ca 0.00 0.60 -0.02 0.00 -0.42 0.00 0.00 57.16 57.32 3knn n GLU 84 Cb 0.00 -2.01 -0.01 0.00 -0.57 0.00 0.00 31.44 28.85 3knn n GLU 84 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knn h ALA 85 N 1.66 -0.25 -0.29 0.62 0.00 -1.78 -3.23 119.26 115.98 3knn h ALA 85 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3knn h ALA 85 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3knn h ALA 85 CO 0.00 -0.24 -0.28 0.93 0.00 0.00 0.00 179.25 179.66 3knn h GLU 86 N -0.60 0.60 -0.03 0.00 5.08 -1.24 -1.63 114.58 116.77 3knn h GLU 86 Ca -0.02 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3knn h GLU 86 Cb 0.12 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3knn h GLU 86 CO 0.03 0.82 0.00 -2.13 -1.00 0.00 0.00 179.01 176.73 3knn n ARG 87 N -4.09 0.32 0.00 2.33 0.00 0.04 -1.20 116.66 114.06 3knn n ARG 87 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3knn n ARG 87 Cb 0.44 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 31.89 3knn n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knn n ALA 88 N -0.43 0.64 -0.97 5.13 0.00 -0.65 -4.92 120.51 119.32 3knn n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knn n ALA 88 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3knn n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knn n GLY 89 N 0.61 0.76 3.94 0.00 0.00 -0.34 -4.78 105.19 105.39 3knn n GLY 89 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3knn n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3knn s MET 90 N -0.11 3.43 1.00 1.61 -1.94 -1.15 -5.03 119.30 117.11 3knn s MET 90 Ca 0.00 -0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 53.28 3knn s MET 90 Cb 0.00 -2.97 0.19 0.00 2.01 0.00 0.00 34.83 34.06 3knn s MET 90 CO 0.00 0.53 1.09 -2.14 -0.01 0.00 0.00 175.02 174.49 3knn s PRO 91 N -3.18 0.40 -0.19 2.03 0.02 -1.26 -4.38 135.00 128.44 3knn s PRO 91 Ca 0.34 1.18 -0.22 0.00 0.02 0.00 0.00 61.00 62.32 3knn s PRO 91 Cb -0.11 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.79 3knn s PRO 91 CO 0.28 -2.94 0.61 1.52 -0.33 0.00 0.00 177.00 176.14 3knn s TYR 92 N -2.63 -0.64 -0.17 6.54 -0.85 -0.89 -2.21 117.35 116.50 3knn s TYR 92 Ca 0.67 1.50 0.01 0.00 -0.52 0.00 0.00 57.07 58.72 3knn s TYR 92 Cb -0.23 0.25 0.03 0.00 0.38 0.00 0.00 41.96 42.39 3knn s TYR 92 CO 0.60 -0.37 -0.14 0.08 -1.52 0.00 0.00 175.55 174.20 3knn s VAL 93 N 0.02 1.70 -0.05 -3.49 1.01 -0.25 -2.79 120.40 116.54 3knn s VAL 93 Ca -0.02 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.25 3knn s VAL 93 Cb -0.04 -1.63 -0.15 0.00 0.00 0.00 0.00 36.38 34.56 3knn s VAL 93 CO 0.02 0.39 0.16 0.59 0.00 0.00 0.00 175.10 176.26 3knn n ASN 94 N 4.71 2.44 -4.67 3.32 3.02 -1.26 -2.91 115.26 119.91 3knn n ASN 94 Ca -0.17 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.08 3knn n ASN 94 Cb 0.49 1.19 -0.08 0.00 -0.61 0.00 0.00 39.78 40.77 3knn n ASN 94 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3knn s GLN 95 N -2.56 2.49 0.00 3.52 -1.52 -1.26 -4.59 119.66 115.74 3knn s GLN 95 Ca -0.05 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.47 3knn s GLN 95 Cb 0.05 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.35 3knn s GLN 95 CO 0.45 0.52 0.00 0.54 -0.25 0.00 0.00 175.29 176.55 3knn n ARG 96 N 0.47 0.00 -1.27 2.91 3.00 -1.26 -4.40 116.66 116.11 3knn n ARG 96 Ca -0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.51 3knn n ARG 96 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.87 3knn n ARG 96 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 3knn n TRP 97 N 0.11 0.64 -0.20 -1.55 -0.00 -1.26 -4.81 117.44 110.37 3knn n TRP 97 Ca 0.00 -0.25 -0.07 0.00 -0.00 0.00 0.00 57.50 57.18 3knn n TRP 97 Cb 0.00 -2.07 -0.01 0.00 -0.00 0.00 0.00 31.31 29.23 3knn n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3knn n LEU 98 N 16.84 -0.09 -4.56 5.87 4.77 -1.26 -4.72 117.00 133.85 3knn n LEU 98 Ca 0.42 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 56.16 3knn n LEU 98 Cb 0.46 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3knn n LEU 98 CO 0.76 -0.34 1.55 -0.83 -1.33 0.00 0.00 177.39 177.20 3knn s GLY 99 N -0.07 0.36 0.00 -0.72 0.00 -1.26 -1.80 107.32 103.83 3knn s GLY 99 Ca 0.10 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3knn s GLY 99 CO 0.08 3.32 0.00 0.61 0.00 0.00 0.00 173.10 177.10 3knn n GLY 100 N 5.61 0.87 0.25 0.20 0.00 -1.26 -4.88 105.19 105.98 3knn n GLY 100 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 3knn n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3knn n MET 101 N -1.17 -0.26 0.03 1.61 0.00 -0.75 0.13 117.12 116.71 3knn n MET 101 Ca 0.00 1.19 -0.20 0.00 0.00 0.00 0.00 57.70 58.69 3knn n MET 101 Cb 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 33.22 31.36 3knn n MET 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3knn h LEU 102 N 0.00 0.89 0.12 4.03 4.07 -1.94 -2.53 115.31 119.95 3knn h LEU 102 Ca 0.10 -0.73 -0.01 0.00 0.08 0.00 0.00 57.88 57.32 3knn h LEU 102 Cb 0.25 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.71 3knn h LEU 102 CO -0.56 1.50 -0.06 0.74 -1.08 0.00 0.00 178.44 178.98 3knn h THR 103 N 0.37 0.96 -0.26 0.22 2.02 -1.57 -3.22 112.91 111.43 3knn h THR 103 Ca -0.12 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3knn h THR 103 Cb 1.64 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3knn h THR 103 CO 0.19 0.26 0.00 -3.20 0.37 0.00 0.00 175.52 173.14 3knn n ASN 104 N -4.87 1.52 -0.07 4.18 2.85 0.35 -4.56 115.26 114.65 3knn n ASN 104 Ca -0.08 -1.92 0.07 0.00 -0.11 0.00 0.00 54.58 52.54 3knn n ASN 104 Cb 0.27 -0.17 0.12 0.00 1.24 0.00 0.00 39.78 41.25 3knn n ASN 104 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 3knn n PHE 105 N 0.30 0.24 0.25 1.20 7.35 -0.82 0.41 117.46 126.40 3knn n PHE 105 Ca 0.11 0.26 -0.17 0.00 -0.76 0.00 0.00 57.45 56.89 3knn n PHE 105 Cb 0.25 -0.73 -0.08 0.00 0.35 0.00 0.00 39.48 39.27 3knn n PHE 105 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3knn h LYS 106 N 0.00 -0.81 -0.80 -4.13 3.64 -1.86 0.15 116.57 112.75 3knn h LYS 106 Ca 0.18 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3knn h LYS 106 Cb 0.47 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3knn h LYS 106 CO -0.17 -0.54 0.00 2.41 -2.27 0.00 0.00 179.45 178.88 3knn n THR 107 N -5.51 0.58 -0.02 1.00 -1.04 0.17 -2.65 114.28 106.81 3knn n THR 107 Ca -0.11 -0.31 -0.01 0.00 -2.04 0.00 0.00 64.05 61.59 3knn n THR 107 Cb 0.41 -0.37 -0.06 0.00 -1.82 0.00 0.00 70.33 68.48 3knn n THR 107 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3knn n ILE 108 N 0.12 0.32 0.36 12.58 2.08 -0.66 -4.15 119.36 130.01 3knn n ILE 108 Ca 0.06 -0.26 0.14 0.00 0.56 0.00 0.00 62.75 63.25 3knn n ILE 108 Cb 0.42 -0.40 0.47 0.00 -0.75 0.00 0.00 39.64 39.39 3knn n ILE 108 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3knn h SER 109 N 0.00 0.00 0.10 4.38 0.02 -0.50 -1.78 113.55 115.77 3knn h SER 109 Ca -0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 3knn h SER 109 Cb 1.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 3knn h SER 109 CO 0.01 0.00 -0.08 1.56 -1.14 0.00 0.00 176.83 177.18 3knn h GLN 110 N 0.00 0.00 -0.02 3.45 4.20 -1.71 0.22 115.11 121.26 3knn h GLN 110 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3knn h GLN 110 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3knn h GLN 110 CO 0.00 0.08 -0.24 0.54 -0.67 0.00 0.00 178.83 178.54 3knn n ARG 111 N -4.26 1.53 -0.09 1.46 5.12 -0.68 -2.36 116.66 117.38 3knn n ARG 111 Ca -0.03 -1.18 -0.12 0.00 -1.93 0.00 0.00 57.85 54.59 3knn n ARG 111 Cb 0.16 -1.48 -0.15 0.00 -1.16 0.00 0.00 32.46 29.84 3knn n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3knn n VAL 112 N 0.30 1.45 -0.01 1.55 0.31 -0.78 -4.10 118.33 117.05 3knn n VAL 112 Ca 0.12 -0.79 -0.13 0.00 -0.01 0.00 0.00 64.34 63.54 3knn n VAL 112 Cb 0.47 -0.77 -0.10 0.00 -0.91 0.00 0.00 33.84 32.54 3knn n VAL 112 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 3knn h HIS 113 N 0.00 0.00 0.00 3.52 -0.00 -0.69 -2.56 115.15 115.43 3knn h HIS 113 Ca -0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.85 3knn h HIS 113 Cb 2.14 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.55 3knn h HIS 113 CO 0.01 0.44 0.00 -2.13 -0.00 0.00 0.00 177.93 176.25 3knn n ARG 114 N -4.88 0.39 0.08 5.26 3.00 -0.99 -1.73 116.66 117.79 3knn n ARG 114 Ca -0.08 0.03 -0.11 0.00 -0.00 0.00 0.00 57.85 57.69 3knn n ARG 114 Cb 0.23 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.09 3knn n ARG 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 3knn h LEU 115 N 0.00 0.23 0.05 6.15 5.85 -1.60 -3.30 115.31 122.69 3knn h LEU 115 Ca 0.00 -0.23 -0.26 0.00 0.84 0.00 0.00 57.88 58.23 3knn h LEU 115 Cb 0.02 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3knn h LEU 115 CO 0.00 1.14 -1.27 1.05 -0.34 0.00 0.00 178.44 179.02 3knn h GLU 116 N 0.06 0.11 0.00 1.25 9.09 -1.42 -3.00 114.58 120.67 3knn h GLU 116 Ca -0.07 -0.18 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3knn h GLU 116 Cb 1.78 0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 3knn h GLU 116 CO 0.16 0.99 0.00 0.39 0.05 0.00 0.00 179.01 180.60 3knn n GLU 117 N -3.36 0.11 -0.00 1.06 1.02 -1.21 0.16 120.64 118.41 3knn n GLU 117 Ca -0.08 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.31 3knn n GLU 117 Cb 1.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.82 3knn n GLU 117 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3knn n LEU 118 N -1.22 0.38 0.13 -4.62 4.77 -1.15 -3.48 117.00 111.82 3knn n LEU 118 Ca 0.03 -0.28 0.06 0.00 -0.03 0.00 0.00 56.01 55.79 3knn n LEU 118 Cb 0.04 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3knn n LEU 118 CO 0.04 0.10 0.33 -0.08 -1.33 0.00 0.00 177.39 176.45 3knn h GLU 119 N 0.00 0.00 -0.04 3.23 4.57 0.16 -1.69 114.58 120.81 3knn h GLU 119 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3knn h GLU 119 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3knn h GLU 119 CO 0.00 0.26 -0.16 0.00 -1.18 0.00 0.00 179.01 177.93 3knn h ALA 120 N 1.68 0.07 0.00 2.92 0.00 -0.96 -2.39 119.26 120.59 3knn h ALA 120 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3knn h ALA 120 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3knn h ALA 120 CO 0.04 0.01 0.00 -0.11 0.00 0.00 0.00 179.25 179.18 3knn n LEU 121 N -4.60 0.00 0.00 0.00 0.00 -1.19 -4.20 117.00 107.01 3knn n LEU 121 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 3knn n LEU 121 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.83 3knn n LEU 121 CO 0.38 0.00 0.00 0.33 0.00 0.00 0.00 177.39 178.10 3knn n PHE 122 N -0.78 0.00 -2.78 1.96 7.35 -0.64 -4.67 117.46 117.90 3knn n PHE 122 Ca 0.10 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.37 3knn n PHE 122 Cb 0.05 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.84 3knn n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3knn s ALA 123 N -2.89 3.07 -0.01 3.13 0.00 -1.26 -4.82 121.76 118.98 3knn s ALA 123 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 3knn s ALA 123 Cb 0.00 -3.87 0.11 0.00 0.00 0.00 0.00 23.12 19.36 3knn s ALA 123 CO 0.00 -2.65 1.16 0.45 0.00 0.00 0.00 175.76 174.72 3knn s SER 124 N 3.21 -0.13 0.00 0.00 0.15 -1.26 -4.98 113.70 110.70 3knn s SER 124 Ca 0.30 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.79 3knn s SER 124 Cb -0.13 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3knn s SER 124 CO 0.17 -0.45 0.36 -0.81 1.20 0.00 0.00 173.24 173.70 3knn n PRO 125 N -0.39 0.68 0.00 5.44 -0.04 -1.26 -2.59 135.00 136.84 3knn n PRO 125 Ca -0.06 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.48 3knn n PRO 125 Cb 0.61 -1.33 0.07 0.00 -0.04 0.00 0.00 33.50 32.81 3knn n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3knn n GLU 126 N 0.18 1.37 -0.51 0.54 1.02 -1.26 -4.23 120.64 117.75 3knn n GLU 126 Ca 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 57.16 55.54 3knn n GLU 126 Cb 0.18 -1.33 0.08 0.00 -0.02 0.00 0.00 31.44 30.36 3knn n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knn n ILE 127 N 0.94 1.89 0.00 -3.67 2.08 -1.07 -4.64 119.36 114.89 3knn n ILE 127 Ca 0.10 -0.80 0.00 0.00 0.56 0.00 0.00 62.75 62.61 3knn n ILE 127 Cb 0.42 -0.76 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 3knn n ILE 127 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3knn n GLU 128 N -0.17 0.00 0.00 0.38 4.07 -1.26 -4.90 120.64 118.76 3knn n GLU 128 Ca 0.25 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.35 3knn n GLU 128 Cb 0.98 -0.16 0.00 0.00 -0.06 0.00 0.00 31.44 32.19 3knn n GLU 128 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3knn n GLU 129 N 0.00 0.00 -1.95 5.31 1.02 -1.26 -5.12 120.64 118.64 3knn n GLU 129 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3knn n GLU 129 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3knn n GLU 129 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3knn n ARG 130 N -1.88 -5.43 -1.54 3.49 5.12 -1.26 -4.61 116.66 110.55 3knn n ARG 130 Ca 0.00 3.89 -0.45 0.00 -1.93 0.00 0.00 57.85 59.36 3knn n ARG 130 Cb 0.00 -4.26 -0.05 0.00 -1.16 0.00 0.00 32.46 27.00 3knn n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3knn n PRO 131 N 0.95 1.52 0.00 5.56 -0.04 -1.26 -4.57 135.00 137.15 3knn n PRO 131 Ca 0.00 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3knn n PRO 131 Cb 0.00 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 3knn n PRO 131 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3knn n LYS 132 N 8.59 0.00 -0.21 0.54 4.81 -1.26 0.28 118.16 130.91 3knn n LYS 132 Ca 0.35 0.38 0.04 0.00 -0.87 0.00 0.00 58.31 58.21 3knn n LYS 132 Cb 0.37 -1.55 0.14 0.00 0.02 0.00 0.00 35.03 34.01 3knn n LYS 132 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3knn n LYS 133 N -1.37 1.93 0.00 1.64 4.76 -1.26 -3.16 118.16 120.70 3knn n LYS 133 Ca 0.00 -1.08 0.00 0.00 -2.87 0.00 0.00 58.31 54.36 3knn n LYS 133 Cb 0.05 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 3knn n LYS 133 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3knn n GLU 134 N 0.30 0.32 0.00 1.97 -0.58 0.79 -4.83 120.64 118.60 3knn n GLU 134 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 3knn n GLU 134 Cb 0.36 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 3knn n GLU 134 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3knn n GLN 135 N 0.00 0.00 0.27 3.49 6.02 0.26 -0.19 117.38 127.23 3knn n GLN 135 Ca 0.00 0.42 0.12 0.00 -0.01 0.00 0.00 57.00 57.53 3knn n GLN 135 Cb 0.00 -1.41 0.76 0.00 1.02 0.00 0.00 30.24 30.61 3knn n GLN 135 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3knn h VAL 136 N 0.00 0.74 -0.36 5.09 2.07 -1.86 -2.26 116.25 119.66 3knn h VAL 136 Ca 0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3knn h VAL 136 Cb 0.00 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3knn h VAL 136 CO 0.00 0.05 0.02 -0.09 0.02 0.00 0.00 177.57 177.57 3knn h ARG 137 N 0.00 0.61 -0.52 1.57 1.12 -1.82 -2.24 114.38 113.10 3knn h ARG 137 Ca -0.00 -0.18 0.10 0.00 -1.11 0.00 0.00 59.98 58.79 3knn h ARG 137 Cb 0.10 -0.06 -0.10 0.00 -0.01 0.00 0.00 29.97 29.90 3knn h ARG 137 CO 0.01 0.71 -0.16 -0.07 -3.11 0.00 0.00 179.97 177.35 3knn h LEU 138 N 0.44 -0.57 -1.56 3.80 3.38 0.05 0.63 115.31 121.48 3knn h LEU 138 Ca 0.10 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3knn h LEU 138 Cb 0.42 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3knn h LEU 138 CO 0.01 -0.20 0.17 0.11 0.09 0.00 0.00 178.44 178.63 3knn h LYS 139 N -0.03 0.47 -0.47 1.13 1.79 -1.54 -0.11 116.57 117.81 3knn h LYS 139 Ca 0.25 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 3knn h LYS 139 Cb 0.41 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 3knn h LYS 139 CO -0.55 0.36 0.27 1.25 -1.08 0.00 0.00 179.45 179.69 3knn h HIS 140 N 0.47 0.64 0.88 -1.35 2.76 0.69 -3.05 115.15 116.19 3knn h HIS 140 Ca 0.12 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 3knn h HIS 140 Cb 0.04 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 28.80 3knn h HIS 140 CO 0.00 0.47 -0.42 1.49 -1.30 0.00 0.00 177.93 178.17 3knn h GLU 141 N 0.62 -1.14 0.00 5.26 4.81 0.12 -2.42 114.58 121.83 3knn h GLU 141 Ca 0.17 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3knn h GLU 141 Cb 0.04 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3knn h GLU 141 CO -0.03 -0.76 0.00 -0.11 -0.73 0.00 0.00 179.01 177.38 3knn n LEU 142 N -5.23 0.00 -0.06 1.64 7.94 -0.24 -1.87 117.00 119.18 3knn n LEU 142 Ca -0.15 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.71 3knn n LEU 142 Cb 0.47 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.40 3knn n LEU 142 CO 0.35 0.00 -0.32 -0.62 -1.11 0.00 0.00 177.39 175.70 3knn n GLU 143 N -0.68 0.42 -0.14 1.96 -0.58 -0.91 -3.44 120.64 117.26 3knn n GLU 143 Ca 0.00 0.51 -0.08 0.00 -0.42 0.00 0.00 57.16 57.17 3knn n GLU 143 Cb 0.00 -1.62 -0.00 0.00 -0.57 0.00 0.00 31.44 29.25 3knn n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 3knn h ARG 144 N -0.92 0.58 -0.88 3.49 0.11 -1.44 -1.00 114.38 114.32 3knn h ARG 144 Ca 0.00 -0.07 0.10 0.00 0.10 0.00 0.00 59.98 60.11 3knn h ARG 144 Cb 0.47 -0.11 -0.08 0.00 1.11 0.00 0.00 29.97 31.36 3knn h ARG 144 CO 0.00 0.48 0.52 -0.07 0.10 0.00 0.00 179.97 181.00 3knn h LEU 145 N 0.54 0.76 0.00 0.08 -0.00 -1.76 0.53 115.31 115.46 3knn h LEU 145 Ca 0.15 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 3knn h LEU 145 Cb 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 3knn h LEU 145 CO -0.02 0.42 0.00 1.67 -0.00 0.00 0.00 178.44 180.51 3knn n GLN 146 N -4.70 0.84 0.00 1.13 7.27 -0.46 -1.95 117.38 119.51 3knn n GLN 146 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.22 3knn n GLN 146 Cb 0.30 -1.01 0.00 0.00 2.41 0.00 0.00 30.24 31.95 3knn n GLN 146 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3knn n LYS 147 N -0.51 2.48 -0.09 3.69 0.00 0.16 -4.64 118.16 119.26 3knn n LYS 147 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 3knn n LYS 147 Cb 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 35.03 34.16 3knn n LYS 147 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3knn n TYR 148 N -1.36 0.81 1.24 5.64 4.01 0.47 -4.39 117.16 123.59 3knn n TYR 148 Ca 0.00 0.35 0.09 0.00 -0.16 0.00 0.00 57.90 58.18 3knn n TYR 148 Cb 0.24 -0.85 0.51 0.00 -0.31 0.00 0.00 39.34 38.94 3knn n TYR 148 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3knn n LEU 149 N -4.53 0.00 0.00 7.72 4.77 -0.82 -4.56 117.00 119.58 3knn n LEU 149 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3knn n LEU 149 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3knn n LEU 149 CO 0.13 0.00 0.09 -1.20 -1.33 0.00 0.00 177.39 175.08 3knn n SER 150 N -0.94 0.00 -0.63 -1.43 7.64 -1.26 0.04 113.62 117.05 3knn n SER 150 Ca 0.13 0.18 0.04 0.00 1.01 0.00 0.00 58.87 60.23 3knn n SER 150 Cb 0.06 -0.04 0.13 0.00 -1.01 0.00 0.00 64.21 63.35 3knn n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3knn n GLY 151 N -0.75 0.67 0.13 0.23 0.00 -1.12 -3.99 105.19 100.36 3knn n GLY 151 Ca 0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 3knn n GLY 151 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3knn h PHE 152 N 1.66 0.45 -0.96 1.61 -0.00 -0.47 -2.37 116.94 116.86 3knn h PHE 152 Ca 0.00 -0.33 0.29 0.00 -0.00 0.00 0.00 57.97 57.93 3knn h PHE 152 Cb 0.51 -0.02 -0.17 0.00 -0.00 0.00 0.00 35.95 36.27 3knn h PHE 152 CO 0.24 1.62 0.16 0.00 -0.00 0.00 0.00 178.31 180.32 3knn h ARG 153 N 0.07 0.05 0.05 1.11 3.08 -1.61 0.16 114.38 117.30 3knn h ARG 153 Ca -0.38 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3knn h ARG 153 Cb 2.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.06 3knn h ARG 153 CO 0.11 0.03 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.76 3knn h LEU 154 N 0.05 -0.64 -8.37 3.04 3.38 -1.84 -3.39 115.31 107.55 3knn h LEU 154 Ca 0.63 0.07 -0.65 0.00 0.09 0.00 0.00 57.88 58.02 3knn h LEU 154 Cb 1.37 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 3knn h LEU 154 CO -0.83 -0.23 1.47 -0.11 0.09 0.00 0.00 178.44 178.83 3knn n LEU 155 N -3.66 1.63 -0.09 1.67 -0.00 0.58 -4.76 117.00 112.37 3knn n LEU 155 Ca -0.03 0.34 0.09 0.00 -0.00 0.00 0.00 56.01 56.40 3knn n LEU 155 Cb 0.17 -1.18 0.12 0.00 -0.00 0.00 0.00 43.42 42.53 3knn n LEU 155 CO 0.06 -0.82 0.55 0.29 -0.00 0.00 0.00 177.39 177.47 3knn n LYS 156 N 8.19 1.34 -3.65 1.96 5.02 -1.26 -4.97 118.16 124.79 3knn n LYS 156 Ca 0.47 -2.40 -0.01 0.00 -2.02 0.00 0.00 58.31 54.34 3knn n LYS 156 Cb 0.18 -1.40 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 3knn n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3knn s ARG 157 N -2.57 0.08 -0.02 1.97 3.52 -1.26 -5.13 118.95 115.54 3knn s ARG 157 Ca 0.28 0.12 -0.21 0.00 -0.13 0.00 0.00 55.73 55.79 3knn s ARG 157 Cb 0.24 0.03 -0.10 0.00 -1.56 0.00 0.00 34.95 33.56 3knn s ARG 157 CO 0.03 -0.01 0.57 1.28 -0.81 0.00 0.00 175.30 176.35 3knn n LEU 158 N 2.23 0.05 -4.33 -0.88 4.32 -1.26 -4.84 117.00 112.28 3knn n LEU 158 Ca -0.13 0.59 -0.30 0.00 -0.02 0.00 0.00 56.01 56.15 3knn n LEU 158 Cb 0.57 -0.46 0.22 0.00 -1.62 0.00 0.00 43.42 42.12 3knn n LEU 158 CO 0.03 -0.91 -0.07 -2.65 -1.22 0.00 0.00 177.39 172.57 3knn n PRO 159 N 0.88 -2.26 -0.24 3.23 -0.02 -1.26 -4.88 135.00 130.45 3knn n PRO 159 Ca 0.11 -0.64 0.11 0.00 -2.02 0.00 0.00 63.50 61.05 3knn n PRO 159 Cb 0.03 -1.88 0.24 0.00 -0.02 0.00 0.00 33.50 31.87 3knn n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knn n ASP 160 N -3.23 3.51 0.00 2.55 8.00 -0.02 -4.97 116.55 122.38 3knn n ASP 160 Ca 0.02 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3knn n ASP 160 Cb 0.58 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 3knn n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knn n ALA 161 N 1.39 0.00 -3.65 2.24 0.00 -1.23 -4.44 120.51 114.82 3knn n ALA 161 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 3knn n ALA 161 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 3knn n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3knn s ILE 162 N -2.19 -0.02 -0.23 0.00 -4.36 -0.79 -2.81 121.20 110.81 3knn s ILE 162 Ca 0.00 0.06 -0.05 0.00 -0.26 0.00 0.00 60.65 60.40 3knn s ILE 162 Cb 0.00 -0.70 -0.02 0.00 1.25 0.00 0.00 42.46 42.99 3knn s ILE 162 CO 0.00 0.03 0.01 0.12 0.24 0.00 0.00 174.94 175.33 3knn s PHE 163 N 1.32 3.02 0.15 1.37 5.99 -0.86 -1.16 117.98 127.81 3knn s PHE 163 Ca -0.09 -0.66 0.08 0.00 0.00 0.00 0.00 56.93 56.27 3knn s PHE 163 Cb -0.07 -2.15 -0.04 0.00 0.00 0.00 0.00 43.02 40.76 3knn s PHE 163 CO -0.13 -0.42 -0.09 0.08 -0.00 0.00 0.00 175.22 174.66 3knn s VAL 164 N 1.43 3.28 0.00 3.12 1.01 -0.49 -0.98 120.40 127.77 3knn s VAL 164 Ca 0.05 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.53 3knn s VAL 164 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3knn s VAL 164 CO 0.00 -0.03 0.07 1.33 0.00 0.00 0.00 175.10 176.47 3knn n VAL 165 N 0.27 0.00 -2.98 2.92 0.24 -0.71 -0.82 118.33 117.25 3knn n VAL 165 Ca -0.12 0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 61.94 3knn n VAL 165 Cb 0.54 -0.41 -0.05 0.00 -1.47 0.00 0.00 33.84 32.45 3knn n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3knn s ASP 166 N -1.23 6.37 0.00 -1.34 3.68 -1.26 -3.26 116.67 119.63 3knn s ASP 166 Ca 0.00 -0.27 0.00 0.00 2.13 0.00 0.00 52.55 54.41 3knn s ASP 166 Cb 0.00 -2.37 0.00 0.00 -1.45 0.00 0.00 42.92 39.10 3knn s ASP 166 CO 0.00 -0.95 0.08 -0.81 0.13 0.00 0.00 175.17 173.62 3knn n PRO 167 N 6.73 0.00 -0.34 4.34 -0.04 -1.26 -2.53 135.00 141.90 3knn n PRO 167 Ca 0.01 0.08 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 3knn n PRO 167 Cb 0.48 -0.42 0.11 0.00 -0.04 0.00 0.00 33.50 33.63 3knn n PRO 167 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3knn h THR 168 N 0.00 1.25 -0.85 0.52 1.35 -1.94 -2.92 112.91 110.32 3knn h THR 168 Ca 0.00 -0.54 0.19 0.00 -0.55 0.00 0.00 66.41 65.51 3knn h THR 168 Cb 0.00 -0.07 -0.16 0.00 -1.73 0.00 0.00 68.15 66.18 3knn h THR 168 CO 0.00 0.26 -0.15 1.17 -0.25 0.00 0.00 175.52 176.56 3knn n LYS 169 N -4.36 -0.07 -1.62 4.72 0.00 -1.05 0.20 118.16 115.98 3knn n LYS 169 Ca 0.11 1.31 -0.29 0.00 0.00 0.00 0.00 58.31 59.44 3knn n LYS 169 Cb 0.05 -1.99 0.06 0.00 0.00 0.00 0.00 35.03 33.15 3knn n LYS 169 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3knn n GLU 170 N -5.34 3.07 0.00 1.64 4.71 -1.06 -4.67 120.64 118.99 3knn n GLU 170 Ca 0.15 -3.68 0.06 0.00 -0.01 0.00 0.00 57.16 53.69 3knn n GLU 170 Cb 0.49 -2.27 0.28 0.00 -1.01 0.00 0.00 31.44 28.94 3knn n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3knn n ALA 171 N -0.84 1.64 0.27 0.62 0.00 0.54 -1.44 120.51 121.30 3knn n ALA 171 Ca 0.53 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 54.04 3knn n ALA 171 Cb 0.83 -1.20 0.76 0.00 0.00 0.00 0.00 19.45 19.84 3knn n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3knn h ILE 172 N 0.00 0.70 0.00 0.00 5.03 -1.83 0.27 117.51 121.68 3knn h ILE 172 Ca 0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 3knn h ILE 172 Cb 0.16 1.15 0.00 0.00 -3.03 0.00 0.00 36.82 35.10 3knn h ILE 172 CO 0.00 0.06 -0.53 0.00 -0.68 0.00 0.00 178.15 177.00 3knn n ALA 173 N -2.37 0.46 -0.31 1.87 0.00 -0.52 -2.51 120.51 117.14 3knn n ALA 173 Ca -0.03 -0.43 0.23 0.00 0.00 0.00 0.00 53.44 53.21 3knn n ALA 173 Cb 0.15 0.02 0.43 0.00 0.00 0.00 0.00 19.45 20.05 3knn n ALA 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knn n VAL 174 N -4.59 -0.39 -0.01 0.00 0.31 -1.13 0.21 118.33 112.73 3knn n VAL 174 Ca -0.07 1.95 -0.13 0.00 -0.01 0.00 0.00 64.34 66.08 3knn n VAL 174 Cb 0.27 -3.03 -0.10 0.00 -0.91 0.00 0.00 33.84 30.08 3knn n VAL 174 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3knn h ARG 175 N 0.00 -0.01 -0.65 5.55 1.12 -0.63 -1.59 114.38 118.17 3knn h ARG 175 Ca 0.69 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.63 3knn h ARG 175 Cb 1.68 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 31.59 3knn h ARG 175 CO -0.78 0.50 0.34 1.49 -3.11 0.00 0.00 179.97 178.40 3knn h GLU 176 N -0.52 0.59 0.09 0.20 4.81 0.28 -2.28 114.58 117.75 3knn h GLU 176 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3knn h GLU 176 Cb 0.51 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3knn h GLU 176 CO 0.00 0.39 -0.04 0.00 -0.73 0.00 0.00 179.01 178.63 3knn h ALA 177 N 1.36 -0.12 -1.19 2.92 0.00 0.50 -3.13 119.26 119.61 3knn h ALA 177 Ca 0.30 -0.23 0.34 0.00 0.00 0.00 0.00 54.91 55.32 3knn h ALA 177 Cb 0.24 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3knn h ALA 177 CO -0.21 -0.32 0.80 -0.09 0.00 0.00 0.00 179.25 179.43 3knn h ARG 178 N -0.61 0.18 0.00 0.00 9.65 -1.10 1.25 114.38 123.75 3knn h ARG 178 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3knn h ARG 178 Cb 0.50 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3knn h ARG 178 CO 0.02 0.12 0.00 -0.22 2.80 0.00 0.00 179.97 182.69 3knn h LYS 179 N 0.18 0.00 -0.30 0.20 3.64 -1.36 -2.63 116.57 116.30 3knn h LYS 179 Ca 0.64 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 3knn h LYS 179 Cb 2.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 3knn h LYS 179 CO -0.21 0.00 0.00 1.28 -2.27 0.00 0.00 179.45 178.25 3knn n LEU 180 N -2.48 2.79 -3.18 5.20 4.77 0.43 -5.00 117.00 119.54 3knn n LEU 180 Ca 0.02 -1.93 -0.15 0.00 -0.03 0.00 0.00 56.01 53.92 3knn n LEU 180 Cb 0.27 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 3knn n LEU 180 CO 0.23 0.69 0.07 0.49 -1.33 0.00 0.00 177.39 177.54 3knn n PHE 181 N 0.46 -2.11 -3.98 -1.77 3.72 -0.88 -5.01 117.46 107.88 3knn n PHE 181 Ca 0.10 0.83 -0.34 0.00 -0.05 0.00 0.00 57.45 57.99 3knn n PHE 181 Cb 0.40 -4.48 -0.14 0.00 -0.94 0.00 0.00 39.48 34.31 3knn n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3knn s ILE 182 N -3.34 2.76 0.15 4.37 1.01 -1.17 -5.02 121.20 119.97 3knn s ILE 182 Ca 0.17 -1.06 -0.32 0.00 0.00 0.00 0.00 60.65 59.45 3knn s ILE 182 Cb -0.02 -2.40 -0.17 0.00 0.01 0.00 0.00 42.46 39.87 3knn s ILE 182 CO 0.67 0.21 0.78 -2.65 0.00 0.00 0.00 174.94 173.95 3knn n PRO 183 N 4.65 0.25 -3.96 2.79 -0.02 -1.26 -4.35 135.00 133.10 3knn n PRO 183 Ca -0.17 0.09 -0.34 0.00 -2.02 0.00 0.00 63.50 61.06 3knn n PRO 183 Cb 0.47 -1.31 -0.14 0.00 -0.02 0.00 0.00 33.50 32.49 3knn n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3knn s VAL 184 N -0.64 2.94 -0.07 -1.45 1.01 -1.26 -1.88 120.40 119.04 3knn s VAL 184 Ca 0.72 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.92 3knn s VAL 184 Cb -0.99 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3knn s VAL 184 CO 0.56 0.33 -0.21 0.27 0.00 0.00 0.00 175.10 176.04 3knn s ILE 185 N 1.38 2.38 0.11 2.22 -4.36 -0.31 -0.99 121.20 121.63 3knn s ILE 185 Ca 0.03 -0.94 -0.20 0.00 -0.26 0.00 0.00 60.65 59.28 3knn s ILE 185 Cb -0.15 -1.91 0.05 0.00 1.25 0.00 0.00 42.46 41.70 3knn s ILE 185 CO -0.05 0.56 0.50 0.00 0.24 0.00 0.00 174.94 176.20 3knn s ALA 186 N -0.09 -1.28 -1.34 2.27 0.00 -1.09 -1.40 121.76 118.83 3knn s ALA 186 Ca -0.05 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.18 3knn s ALA 186 Cb -0.14 0.65 0.11 0.00 0.00 0.00 0.00 23.12 23.74 3knn s ALA 186 CO 0.04 -0.64 2.27 -0.11 0.00 0.00 0.00 175.76 177.33 3knn n LEU 187 N -0.06 7.64 -4.71 0.00 0.00 0.00 -0.74 117.00 119.13 3knn n LEU 187 Ca -0.17 -4.74 -0.29 0.00 0.00 0.00 0.00 56.01 50.81 3knn n LEU 187 Cb 0.63 -1.43 0.18 0.00 0.00 0.00 0.00 43.42 42.80 3knn n LEU 187 CO 0.16 1.81 0.67 0.00 0.00 0.00 0.00 177.39 180.04 3knn s ALA 188 N -0.21 1.21 0.00 1.96 0.00 -1.02 -4.36 121.76 119.33 3knn s ALA 188 Ca 0.51 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3knn s ALA 188 Cb 0.15 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.24 3knn s ALA 188 CO -0.06 -2.78 0.00 -0.40 0.00 0.00 0.00 175.76 172.52 3knn n ASP 189 N -4.13 0.00 0.32 0.00 5.75 -1.26 0.16 116.55 117.39 3knn n ASP 189 Ca 0.07 -0.49 0.19 0.00 -0.01 0.00 0.00 54.79 54.55 3knn n ASP 189 Cb 0.58 0.00 1.07 0.00 -1.03 0.00 0.00 41.12 41.74 3knn n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3knn h THR 190 N 0.49 0.28 0.00 2.12 1.35 -1.92 -0.09 112.91 115.14 3knn h THR 190 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3knn h THR 190 Cb 0.00 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3knn h THR 190 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 3knn n ASP 191 N -3.48 0.00 -3.16 5.36 4.64 -1.26 -3.80 116.55 114.86 3knn n ASP 191 Ca -0.03 0.25 -0.12 0.00 -1.38 0.00 0.00 54.79 53.51 3knn n ASP 191 Cb 0.08 -0.29 -0.02 0.00 -1.04 0.00 0.00 41.12 39.85 3knn n ASP 191 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 3knn s SER 192 N -2.59 0.50 -0.16 1.67 0.01 -0.05 -4.66 113.70 108.43 3knn s SER 192 Ca 0.03 -1.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.94 3knn s SER 192 Cb 0.02 0.74 -0.03 0.00 0.21 0.00 0.00 66.02 66.96 3knn s SER 192 CO 0.05 -1.45 -0.04 1.51 0.41 0.00 0.00 173.24 173.73 3knn s ASP 193 N -3.16 4.78 0.06 2.44 3.84 -1.26 -4.53 116.67 118.84 3knn s ASP 193 Ca 0.24 -0.14 -0.17 0.00 -0.00 0.00 0.00 52.55 52.49 3knn s ASP 193 Cb -0.02 -1.78 -0.06 0.00 -1.38 0.00 0.00 42.92 39.67 3knn s ASP 193 CO 0.16 0.17 1.27 1.55 -0.00 0.00 0.00 175.17 178.31 3knn h PRO 194 N 6.73 -0.29 0.00 2.11 0.13 -1.90 -3.30 132.00 135.48 3knn h PRO 194 Ca -0.31 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3knn h PRO 194 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3knn h PRO 194 CO 0.63 -0.19 0.00 -0.25 -0.23 0.00 0.00 178.00 177.95 3knn n ASP 195 N -3.95 0.00 -0.44 1.44 9.92 -1.26 0.10 116.55 122.36 3knn n ASP 195 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 3knn n ASP 195 Cb 0.19 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 3knn n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knn n LEU 196 N 0.00 0.76 -3.89 0.64 -0.00 -1.24 -4.73 117.00 108.54 3knn n LEU 196 Ca 0.00 -0.38 -0.28 0.00 -0.00 0.00 0.00 56.01 55.35 3knn n LEU 196 Cb 0.00 -0.38 -0.17 0.00 -0.00 0.00 0.00 43.42 42.87 3knn n LEU 196 CO 0.00 0.19 -0.43 -0.69 -0.00 0.00 0.00 177.39 176.46 3knn s VAL 197 N -1.11 1.08 0.05 1.47 1.01 0.29 -4.91 120.40 118.27 3knn s VAL 197 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3knn s VAL 197 Cb 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 36.38 34.99 3knn s VAL 197 CO 0.00 0.18 1.45 0.44 0.00 0.00 0.00 175.10 177.17 3knn h ASP 198 N 8.13 -0.94 -3.66 3.32 3.32 -1.35 -3.39 116.42 121.85 3knn h ASP 198 Ca -0.25 0.04 -0.68 0.00 0.02 0.00 0.00 57.03 56.16 3knn h ASP 198 Cb 1.12 0.25 -0.36 0.00 0.22 0.00 0.00 39.33 40.55 3knn h ASP 198 CO 0.40 -0.65 -0.67 -0.31 -1.72 0.00 0.00 179.24 176.29 3knn s TYR 199 N -5.38 3.55 0.09 4.55 1.51 -0.17 -5.02 117.35 116.49 3knn s TYR 199 Ca -0.16 -2.50 -0.19 0.00 -1.01 0.00 0.00 57.07 53.21 3knn s TYR 199 Cb 0.02 -2.74 -0.07 0.00 -0.11 0.00 0.00 41.96 39.06 3knn s TYR 199 CO 0.48 -0.92 0.58 0.42 -1.11 0.00 0.00 175.55 175.00 3knn s ILE 200 N 1.08 4.73 -0.90 2.71 1.01 -1.26 -2.66 121.20 125.90 3knn s ILE 200 Ca 0.04 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.87 3knn s ILE 200 Cb -0.21 -3.88 0.25 0.00 0.01 0.00 0.00 42.46 38.63 3knn s ILE 200 CO -0.05 0.49 0.94 -0.38 0.00 0.00 0.00 174.94 175.95 3knn n ILE 201 N 1.54 3.47 -1.58 2.92 2.08 0.08 -4.37 119.36 123.50 3knn n ILE 201 Ca -0.09 -5.32 -0.43 0.00 0.56 0.00 0.00 62.75 57.47 3knn n ILE 201 Cb 0.51 -2.28 -0.03 0.00 -0.75 0.00 0.00 39.64 37.08 3knn n ILE 201 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3knn n PRO 202 N 1.86 1.75 0.00 0.38 -0.04 -1.26 -2.43 135.00 135.26 3knn n PRO 202 Ca 0.24 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 3knn n PRO 202 Cb 0.37 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 3knn n PRO 202 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knn n GLY 203 N 5.89 1.97 3.37 0.55 0.00 0.43 -4.70 105.19 112.69 3knn n GLY 203 Ca 0.32 -0.63 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 3knn n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3knn n ASN 204 N 0.00 -1.78 0.00 1.61 5.15 -1.26 -4.17 115.26 114.81 3knn n ASN 204 Ca 0.00 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.98 3knn n ASN 204 Cb 0.00 -0.94 0.00 0.00 -0.53 0.00 0.00 39.78 38.31 3knn n ASN 204 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3knn n ASP 205 N 2.07 0.36 -0.03 1.20 5.75 -1.26 -4.59 116.55 120.05 3knn n ASP 205 Ca 0.15 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.71 3knn n ASP 205 Cb 0.32 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.28 3knn n ASP 205 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3knn h ASP 206 N 0.00 0.28 -3.58 -1.12 5.19 -1.94 -3.45 116.42 111.80 3knn h ASP 206 Ca 0.00 -0.79 -0.51 0.00 -0.62 0.00 0.00 57.03 55.11 3knn h ASP 206 Cb 0.33 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3knn h ASP 206 CO 0.00 1.63 0.47 0.00 -3.12 0.00 0.00 179.24 178.23 3knn s ALA 207 N -2.46 3.37 -1.52 3.45 0.00 -1.26 -4.88 121.76 118.46 3knn s ALA 207 Ca -0.23 0.82 0.16 0.00 0.00 0.00 0.00 51.96 52.70 3knn s ALA 207 Cb 0.05 -3.35 0.82 0.00 0.00 0.00 0.00 23.12 20.64 3knn s ALA 207 CO 0.72 -0.20 1.43 -0.89 0.00 0.00 0.00 175.76 176.82 3knn n ILE 208 N 2.27 0.47 0.04 0.00 5.41 -1.26 -2.12 119.36 124.16 3knn n ILE 208 Ca 0.02 0.12 -0.16 0.00 1.00 0.00 0.00 62.75 63.73 3knn n ILE 208 Cb 0.46 -0.86 -0.06 0.00 -0.71 0.00 0.00 39.64 38.47 3knn n ILE 208 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3knn h ARG 209 N 0.00 0.58 0.01 0.38 2.47 -1.90 -3.13 114.38 112.78 3knn h ARG 209 Ca 0.00 -0.56 -0.10 0.00 -1.26 0.00 0.00 59.98 58.06 3knn h ARG 209 Cb 0.12 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 3knn h ARG 209 CO 0.00 1.18 -0.53 0.77 0.56 0.00 0.00 179.97 181.95 3knn h SER 210 N 0.35 0.02 -0.58 7.04 0.02 -1.60 -3.13 113.55 115.66 3knn h SER 210 Ca -0.08 -0.81 0.17 0.00 -0.84 0.00 0.00 61.79 60.23 3knn h SER 210 Cb 1.53 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 3knn h SER 210 CO 0.17 1.21 0.80 0.40 -1.14 0.00 0.00 176.83 178.27 3knn h ILE 211 N -0.97 0.14 0.00 3.27 2.04 -1.57 -2.13 117.51 118.29 3knn h ILE 211 Ca -0.14 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3knn h ILE 211 Cb 1.15 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3knn h ILE 211 CO -0.08 0.00 -0.98 1.67 0.00 0.00 0.00 178.15 178.76 3knn n GLN 212 N -3.32 0.51 -0.33 2.37 0.00 -1.18 -2.27 117.38 113.16 3knn n GLN 212 Ca 0.12 0.46 0.27 0.00 -0.00 0.00 0.00 57.00 57.85 3knn n GLN 212 Cb 1.00 -1.64 0.59 0.00 0.00 0.00 0.00 30.24 30.18 3knn n GLN 212 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3knn h LEU 213 N -1.00 0.31 0.00 1.69 6.46 -1.42 0.51 115.31 121.86 3knn h LEU 213 Ca -0.15 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 3knn h LEU 213 Cb 0.90 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 3knn h LEU 213 CO -0.09 0.04 -0.22 0.40 -0.62 0.00 0.00 178.44 177.94 3knn h ILE 214 N 0.26 0.26 0.00 4.05 1.08 -1.58 -3.20 117.51 118.38 3knn h ILE 214 Ca 0.61 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 3knn h ILE 214 Cb 1.81 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 3knn h ILE 214 CO -0.23 0.09 0.00 0.18 -0.69 0.00 0.00 178.15 177.50 3knn n LEU 215 N -4.69 0.00 0.00 1.44 4.77 -0.96 -3.23 117.00 114.32 3knn n LEU 215 Ca -0.05 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3knn n LEU 215 Cb 0.17 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3knn n LEU 215 CO 0.08 -0.37 0.00 -0.24 -1.33 0.00 0.00 177.39 175.53 3knn n SER 216 N -1.42 0.00 0.00 -1.43 2.88 0.18 -3.62 113.62 110.20 3knn n SER 216 Ca 0.01 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 3knn n SER 216 Cb 0.04 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 3knn n SER 216 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3knn n ARG 217 N -1.40 0.00 -0.09 -1.46 5.12 -1.21 0.29 116.66 117.92 3knn n ARG 217 Ca 0.00 0.04 -0.19 0.00 -1.93 0.00 0.00 57.85 55.77 3knn n ARG 217 Cb 0.00 -1.53 -0.11 0.00 -1.16 0.00 0.00 32.46 29.66 3knn n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knn h ALA 218 N 1.20 0.18 -0.05 7.54 0.00 -1.68 -3.24 119.26 123.22 3knn h ALA 218 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 54.91 53.95 3knn h ALA 218 Cb 0.05 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3knn h ALA 218 CO 0.00 0.51 0.06 0.28 0.00 0.00 0.00 179.25 180.10 3knn h VAL 219 N -1.00 0.54 0.06 0.00 2.07 -0.22 -0.71 116.25 116.99 3knn h VAL 219 Ca -0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3knn h VAL 219 Cb 1.16 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3knn h VAL 219 CO -0.15 0.00 -0.03 0.44 0.02 0.00 0.00 177.57 177.85 3knn h ASP 220 N 0.00 -0.07 0.00 0.57 5.19 -1.60 -2.28 116.42 118.23 3knn h ASP 220 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3knn h ASP 220 Cb 0.13 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3knn h ASP 220 CO -0.00 -0.05 0.12 0.18 -3.12 0.00 0.00 179.24 176.37 3knn n LEU 221 N -2.25 0.48 0.00 1.55 7.99 -0.93 -1.41 117.00 122.44 3knn n LEU 221 Ca -0.01 0.69 0.00 0.00 -0.01 0.00 0.00 56.01 56.68 3knn n LEU 221 Cb 0.03 -0.71 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 3knn n LEU 221 CO 0.03 -0.85 0.18 -0.38 -1.51 0.00 0.00 177.39 174.85 3knn n ILE 222 N -2.19 0.00 0.68 -0.08 5.41 -0.32 -3.71 119.36 119.15 3knn n ILE 222 Ca -0.01 0.75 -0.00 0.00 1.00 0.00 0.00 62.75 64.48 3knn n ILE 222 Cb 0.15 -1.54 0.05 0.00 -0.71 0.00 0.00 39.64 37.59 3knn n ILE 222 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3knn n ILE 223 N -1.45 0.74 -0.01 1.39 -5.35 -0.88 -3.56 119.36 110.24 3knn n ILE 223 Ca 0.00 -0.25 -0.02 0.00 -0.27 0.00 0.00 62.75 62.21 3knn n ILE 223 Cb 0.00 -0.61 -0.01 0.00 -1.74 0.00 0.00 39.64 37.29 3knn n ILE 223 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3knn n GLN 224 N 0.14 0.10 0.00 6.28 7.27 -0.50 -4.07 117.38 126.60 3knn n GLN 224 Ca 0.06 0.04 0.01 0.00 0.07 0.00 0.00 57.00 57.18 3knn n GLN 224 Cb 0.50 -0.53 0.06 0.00 2.41 0.00 0.00 30.24 32.68 3knn n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knn n ALA 225 N -3.01 1.12 1.01 1.69 0.00 -1.24 -0.56 120.51 119.51 3knn n ALA 225 Ca -0.03 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3knn n ALA 225 Cb 0.10 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.51 3knn n ALA 225 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3knn n ARG 226 N -1.52 1.07 0.00 0.00 1.85 -1.23 -3.90 116.66 112.93 3knn n ARG 226 Ca 0.01 -0.87 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 3knn n ARG 226 Cb 0.03 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 29.96 3knn n ARG 226 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knn n GLY 227 N 1.42 2.49 0.00 2.89 0.00 0.27 -5.00 105.19 107.26 3knn n GLY 227 Ca 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3knn n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knn n GLY 228 N 0.00 -1.18 3.35 -0.02 0.00 -1.24 -4.70 105.19 101.40 3knn n GLY 228 Ca 0.00 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 3knn n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 229 N -0.49 0.04 0.19 1.61 1.01 -1.26 -4.26 120.40 117.24 3knn s VAL 229 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3knn s VAL 229 Cb 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3knn s VAL 229 CO 0.00 -0.20 0.22 1.33 0.00 0.00 0.00 175.10 176.46 3knn n VAL 230 N 0.61 0.00 -4.21 2.92 0.24 -1.26 -5.09 118.33 111.53 3knn n VAL 230 Ca -0.19 -1.14 -0.25 0.00 -2.04 0.00 0.00 64.34 60.72 3knn n VAL 230 Cb 0.59 0.64 -0.07 0.00 -1.47 0.00 0.00 33.84 33.53 3knn n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3knn s GLU 231 N -2.58 2.47 -0.79 7.34 1.03 -1.26 -5.03 118.70 119.89 3knn s GLU 231 Ca 0.19 -1.18 -0.14 0.00 0.03 0.00 0.00 54.97 53.87 3knn s GLU 231 Cb 0.00 -2.34 -0.22 0.00 -0.80 0.00 0.00 34.13 30.77 3knn s GLU 231 CO 0.13 0.42 2.04 -2.30 -1.33 0.00 0.00 175.26 174.22 3knn n PRO 232 N -0.53 0.16 -0.88 -4.83 -0.02 -1.26 -4.91 135.00 122.74 3knn n PRO 232 Ca -0.08 -0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 60.63 3knn n PRO 232 Cb 0.57 -2.04 0.08 0.00 -0.02 0.00 0.00 33.50 32.09 3knn n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3knn n SER 233 N 10.45 -3.29 -4.52 2.55 2.88 -1.26 -4.64 113.62 115.79 3knn n SER 233 Ca 0.49 0.04 -0.44 0.00 -1.33 0.00 0.00 58.87 57.63 3knn n SER 233 Cb 0.31 -0.77 -0.05 0.00 -0.75 0.00 0.00 64.21 62.95 3knn n SER 233 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3knn n PRO 234 N 0.66 1.24 -0.31 -1.46 -0.04 -1.26 -4.80 135.00 129.03 3knn n PRO 234 Ca -0.00 0.25 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 3knn n PRO 234 Cb 0.66 -2.89 0.28 0.00 -0.04 0.00 0.00 33.50 31.51 3knn n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3knn n SER 235 N 12.17 3.70 -3.61 3.54 3.41 -1.26 -4.72 113.62 126.84 3knn n SER 235 Ca 0.39 -1.99 -0.28 0.00 -0.26 0.00 0.00 58.87 56.73 3knn n SER 235 Cb 0.37 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 63.79 3knn n SER 235 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3knn s TYR 236 N -1.05 2.00 0.32 7.33 1.51 -1.26 -4.86 117.35 121.35 3knn s TYR 236 Ca 0.43 -2.62 0.10 0.00 -1.01 0.00 0.00 57.07 53.96 3knn s TYR 236 Cb 0.23 -1.65 0.55 0.00 -0.11 0.00 0.00 41.96 40.97 3knn s TYR 236 CO 0.30 -0.73 1.74 0.00 -1.11 0.00 0.00 175.55 175.74 3knn h ALA 237 N 5.85 1.20 0.00 3.71 0.00 -2.01 -3.40 119.26 124.60 3knn h ALA 237 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3knn h ALA 237 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3knn h ALA 237 CO 0.49 0.57 0.00 1.47 0.00 0.00 0.00 179.25 181.78 3knn n LEU 238 N -4.02 0.00 -3.34 0.00 -0.00 -1.26 -5.11 117.00 103.26 3knn n LEU 238 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.66 3knn n LEU 238 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.78 3knn n LEU 238 CO 0.41 0.00 1.60 0.52 -0.00 0.00 0.00 177.39 179.91 3knn n VAL 239 N 0.00 0.00 0.00 1.47 0.31 -1.26 -4.24 118.33 114.61 3knn n VAL 239 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knn n VAL 239 Cb 0.00 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 3knn n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knn n GLN 240 N 6.23 0.00 0.00 5.55 6.02 -1.26 -5.09 117.38 128.83 3knn n GLN 240 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 3knn n GLN 240 Cb 0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3knn n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14