#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n ASN 3 N 0.00 0.00 -2.60 1.61 6.94 -1.26 -5.12 115.26 114.83 3knl n ASN 3 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.50 3knl n ASN 3 Cb 0.00 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.43 3knl n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3knl n LYS 4 N 0.00 -2.01 0.00 -3.83 5.02 -1.26 -4.94 118.16 111.14 3knl n LYS 4 Ca 0.00 1.87 0.00 0.00 -2.02 0.00 0.00 58.31 58.16 3knl n LYS 4 Cb 0.00 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 3knl n LYS 4 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3knl n ILE 5 N -0.28 0.00 0.00 -0.18 -6.64 -1.26 -4.81 119.36 106.20 3knl n ILE 5 Ca 0.09 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.07 3knl n ILE 5 Cb 0.35 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.55 3knl n ILE 5 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 3knl n HIS 6 N 0.00 0.00 -0.28 4.28 -0.00 -1.26 -5.05 115.22 112.90 3knl n HIS 6 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.72 57.94 3knl n HIS 6 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 29.99 30.39 3knl n HIS 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3knl n PRO 7 N 0.00 -0.06 0.22 1.57 -0.04 -1.26 -1.09 135.00 134.34 3knl n PRO 7 Ca 0.00 1.23 -0.11 0.00 -0.04 0.00 0.00 63.50 64.58 3knl n PRO 7 Cb 0.00 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.30 3knl n PRO 7 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3knl h ILE 8 N 0.00 0.00 0.00 0.52 1.08 -1.95 -2.53 117.51 114.63 3knl h ILE 8 Ca 0.65 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.12 3knl h ILE 8 Cb 1.59 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 3knl h ILE 8 CO -0.72 0.00 0.00 1.23 -0.69 0.00 0.00 178.15 177.97 3knl h GLY 9 N -0.64 0.00 1.64 5.37 0.00 -1.70 -1.93 103.07 105.81 3knl h GLY 9 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3knl h GLY 9 CO 0.03 0.00 -0.20 0.33 0.00 0.00 0.00 176.54 176.70 3knl n PHE 10 N -2.45 0.22 0.37 5.60 7.35 -0.25 -3.35 117.46 124.95 3knl n PHE 10 Ca 0.01 0.07 0.04 0.00 -0.76 0.00 0.00 57.45 56.81 3knl n PHE 10 Cb 0.23 -0.53 0.02 0.00 0.35 0.00 0.00 39.48 39.54 3knl n PHE 10 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3knl n ARG 11 N -1.70 1.31 0.12 -4.13 5.12 -0.76 -4.64 116.66 111.98 3knl n ARG 11 Ca 0.06 -0.76 0.04 0.00 -1.93 0.00 0.00 57.85 55.26 3knl n ARG 11 Cb 0.37 -1.09 0.21 0.00 -1.16 0.00 0.00 32.46 30.79 3knl n ARG 11 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3knl n LEU 12 N 0.06 0.20 -0.05 0.55 7.99 -1.00 -1.21 117.00 123.54 3knl n LEU 12 Ca 0.04 0.43 -0.03 0.00 -0.01 0.00 0.00 56.01 56.43 3knl n LEU 12 Cb 0.20 -0.35 -0.01 0.00 -0.11 0.00 0.00 43.42 43.14 3knl n LEU 12 CO 0.08 -0.49 -0.26 1.23 -1.51 0.00 0.00 177.39 176.44 3knl h GLY 13 N 0.00 0.00 0.00 -0.72 0.00 -1.82 -3.42 103.07 97.11 3knl h GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knl h GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 176.54 181.05 3knl n ILE 14 N -4.06 0.00 0.00 2.60 3.06 -0.35 -4.95 119.36 115.66 3knl n ILE 14 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 3knl n ILE 14 Cb 0.20 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.38 3knl n ILE 14 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3knl n THR 15 N 0.00 0.00 -1.55 9.51 -1.04 -1.24 -4.32 114.28 115.64 3knl n THR 15 Ca 0.00 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.47 3knl n THR 15 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3knl n THR 15 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3knl n ARG 16 N 0.00 0.71 -4.29 -2.82 3.00 -1.24 -4.94 116.66 107.08 3knl n ARG 16 Ca 0.00 0.25 -0.35 0.00 -0.00 0.00 0.00 57.85 57.75 3knl n ARG 16 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 32.46 30.57 3knl n ARG 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3knl s ASP 17 N 0.20 5.43 0.18 6.15 3.68 -1.26 -3.96 116.67 127.07 3knl s ASP 17 Ca 0.84 0.20 -0.11 0.00 2.13 0.00 0.00 52.55 55.61 3knl s ASP 17 Cb -1.05 -1.57 -0.08 0.00 -1.45 0.00 0.00 42.92 38.77 3knl s ASP 17 CO 0.51 0.38 0.09 0.79 0.13 0.00 0.00 175.17 177.07 3knl n TRP 18 N 2.12 -0.87 0.01 -5.34 8.01 -1.26 -4.85 117.44 115.27 3knl n TRP 18 Ca -0.19 0.34 0.12 0.00 -1.31 0.00 0.00 57.50 56.46 3knl n TRP 18 Cb 0.54 -0.88 0.26 0.00 -2.01 0.00 0.00 31.31 29.21 3knl n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3knl n GLU 19 N 0.62 2.59 -3.65 -0.99 2.13 -1.26 -4.80 120.64 115.28 3knl n GLU 19 Ca 0.06 -2.43 -0.02 0.00 0.66 0.00 0.00 57.16 55.42 3knl n GLU 19 Cb 0.18 -1.53 -0.05 0.00 0.27 0.00 0.00 31.44 30.31 3knl n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3knl s SER 20 N -1.27 -1.01 -0.06 4.31 0.15 -1.26 -3.30 113.70 111.27 3knl s SER 20 Ca 0.42 1.49 -0.01 0.00 0.70 0.00 0.00 55.95 58.55 3knl s SER 20 Cb 0.23 2.11 0.03 0.00 -1.71 0.00 0.00 66.02 66.69 3knl s SER 20 CO 0.32 -0.22 0.01 0.00 1.20 0.00 0.00 173.24 174.55 3knl s ARG 21 N 2.78 0.42 -0.30 5.44 1.70 0.12 -4.96 118.95 124.14 3knl s ARG 21 Ca -0.06 0.15 -0.14 0.00 -0.47 0.00 0.00 55.73 55.22 3knl s ARG 21 Cb -0.12 -0.78 0.18 0.00 -0.57 0.00 0.00 34.95 33.66 3knl s ARG 21 CO -0.18 -0.27 1.12 1.67 -1.08 0.00 0.00 175.30 176.56 3knl s TRP 22 N 1.81 -0.25 0.96 5.89 1.48 -1.26 -2.75 118.94 124.82 3knl s TRP 22 Ca 0.02 0.15 -0.14 0.00 -1.06 0.00 0.00 56.10 55.07 3knl s TRP 22 Cb -0.12 0.04 -0.01 0.00 -1.16 0.00 0.00 33.47 32.22 3knl s TRP 22 CO -0.04 -0.14 0.12 0.98 -4.06 0.00 0.00 176.95 173.81 3knl n TYR 23 N 5.07 -2.32 -3.62 1.66 9.36 -1.26 -4.92 117.16 121.13 3knl n TYR 23 Ca 0.10 0.17 -0.04 0.00 3.32 0.00 0.00 57.90 61.45 3knl n TYR 23 Cb 0.58 -1.70 -0.03 0.00 -0.63 0.00 0.00 39.34 37.56 3knl n TYR 23 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knl s ALA 24 N -2.30 -2.08 0.50 2.98 0.00 -1.26 -4.81 121.76 114.78 3knl s ALA 24 Ca 0.53 1.76 -0.00 0.00 0.00 0.00 0.00 51.96 54.25 3knl s ALA 24 Cb -0.20 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3knl s ALA 24 CO 0.71 -0.39 0.02 0.41 0.00 0.00 0.00 175.76 176.52 3knl n GLY 25 N 0.31 0.42 0.12 0.00 0.00 -0.93 -4.93 105.19 100.17 3knl n GLY 25 Ca -0.01 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 3knl n GLY 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3knl h LYS 26 N 0.00 -0.17 -0.16 1.61 2.10 -2.03 -3.04 116.57 114.88 3knl h LYS 26 Ca -0.01 0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 3knl h LYS 26 Cb 0.03 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.39 3knl h LYS 26 CO 0.01 0.26 0.18 0.87 -2.00 0.00 0.00 179.45 178.76 3knl h LYS 27 N -0.68 0.00 -4.19 0.07 1.57 -2.05 -3.36 116.57 107.93 3knl h LYS 27 Ca -0.02 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.16 3knl h LYS 27 Cb 0.51 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.43 3knl h LYS 27 CO 0.03 0.00 -0.77 -0.65 -0.57 0.00 0.00 179.45 177.49 3knl s GLN 28 N -4.65 1.38 0.00 3.15 -1.52 -1.15 -4.76 119.66 112.11 3knl s GLN 28 Ca -0.05 -1.03 0.00 0.00 -1.95 0.00 0.00 55.36 52.34 3knl s GLN 28 Cb 0.15 -2.52 0.00 0.00 -0.22 0.00 0.00 33.01 30.42 3knl s GLN 28 CO 0.55 -0.69 0.00 0.98 -0.25 0.00 0.00 175.29 175.88 3knl n TYR 29 N 4.69 0.00 -0.14 0.91 -0.00 -1.23 -2.19 117.16 119.19 3knl n TYR 29 Ca -0.09 0.00 0.28 0.00 -0.00 0.00 0.00 57.90 58.09 3knl n TYR 29 Cb 0.44 0.00 0.69 0.00 -0.00 0.00 0.00 39.34 40.46 3knl n TYR 29 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 3knl h ARG 30 N 0.00 0.00 0.12 2.98 9.65 -1.85 0.28 114.38 125.56 3knl h ARG 30 Ca 0.00 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.60 3knl h ARG 30 Cb 0.00 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3knl h ARG 30 CO 0.00 0.00 -1.46 0.45 2.80 0.00 0.00 179.97 181.76 3knl h HIS 31 N 0.00 0.46 -0.10 2.20 3.86 -1.90 -3.35 115.15 116.32 3knl h HIS 31 Ca 0.41 -0.34 -0.23 0.00 -1.16 0.00 0.00 60.37 59.06 3knl h HIS 31 Cb 1.96 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 30.42 3knl h HIS 31 CO 0.00 1.57 -0.81 -0.07 0.86 0.00 0.00 177.93 179.48 3knl h LEU 32 N -0.27 0.90 -1.01 2.43 3.38 -1.23 -2.94 115.31 116.56 3knl h LEU 32 Ca -0.31 -0.66 0.15 0.00 0.09 0.00 0.00 57.88 57.15 3knl h LEU 32 Cb 1.79 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 42.18 3knl h LEU 32 CO 0.07 1.42 0.62 0.25 0.09 0.00 0.00 178.44 180.89 3knl h LEU 33 N 0.44 0.87 -0.50 1.67 5.85 -0.77 0.41 115.31 123.29 3knl h LEU 33 Ca -0.07 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3knl h LEU 33 Cb 1.46 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 3knl h LEU 33 CO 0.17 0.40 0.19 0.25 -0.34 0.00 0.00 178.44 179.10 3knl h LEU 34 N 0.89 0.70 -0.20 2.25 6.46 -1.68 -1.91 115.31 121.81 3knl h LEU 34 Ca 0.53 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 58.16 3knl h LEU 34 Cb 0.67 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 3knl h LEU 34 CO -0.31 0.69 -0.06 -0.08 -0.62 0.00 0.00 178.44 178.05 3knl h GLU 35 N 0.67 -0.01 -0.25 1.25 4.81 -0.17 -2.77 114.58 118.11 3knl h GLU 35 Ca 0.16 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 3knl h GLU 35 Cb 0.22 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 3knl h GLU 35 CO -0.01 -0.01 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.52 3knl h ASP 36 N -0.01 -0.97 0.00 1.04 3.45 -0.06 -2.00 116.42 117.87 3knl h ASP 36 Ca 0.10 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.72 3knl h ASP 36 Cb 0.16 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 3knl h ASP 36 CO -0.22 -0.33 0.00 0.00 -1.57 0.00 0.00 179.24 177.13 3knl n GLN 37 N -5.40 0.00 -0.44 3.56 1.13 -0.77 -0.03 117.38 115.42 3knl n GLN 37 Ca -0.01 0.70 0.37 0.00 -1.94 0.00 0.00 57.00 56.12 3knl n GLN 37 Cb 0.32 -1.43 0.65 0.00 0.11 0.00 0.00 30.24 29.89 3knl n GLN 37 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3knl h ARG 38 N 0.00 0.07 0.79 -1.09 0.11 -1.49 1.67 114.38 114.44 3knl h ARG 38 Ca 0.00 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 3knl h ARG 38 Cb 0.00 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.07 3knl h ARG 38 CO 0.00 0.04 -0.38 0.82 0.10 0.00 0.00 179.97 180.56 3knl h ILE 39 N 0.07 0.20 0.00 0.08 2.04 -0.29 0.88 117.51 120.50 3knl h ILE 39 Ca 0.83 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.65 3knl h ILE 39 Cb 2.60 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3knl h ILE 39 CO -0.45 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.24 3knl n ARG 40 N -5.54 0.00 0.00 2.37 1.74 0.55 -3.11 116.66 112.67 3knl n ARG 40 Ca -0.15 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3knl n ARG 40 Cb 0.43 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3knl n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knl n GLY 41 N -1.03 1.72 0.26 -0.13 0.00 0.30 -2.86 105.19 103.44 3knl n GLY 41 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3knl n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knl n LEU 42 N 0.00 0.08 0.00 0.99 4.32 -1.18 0.29 117.00 121.50 3knl n LEU 42 Ca 0.00 1.30 0.00 0.00 -0.02 0.00 0.00 56.01 57.29 3knl n LEU 42 Cb 0.00 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 3knl n LEU 42 CO 0.00 -1.38 0.30 0.18 -1.22 0.00 0.00 177.39 175.27 3knl n LEU 43 N -4.93 0.00 -0.35 2.23 4.77 -1.18 0.14 117.00 117.68 3knl n LEU 43 Ca 0.23 0.61 0.31 0.00 -0.03 0.00 0.00 56.01 57.13 3knl n LEU 43 Cb 0.78 -0.11 0.65 0.00 -2.33 0.00 0.00 43.42 42.41 3knl n LEU 43 CO -0.03 -0.11 1.28 -0.33 -1.33 0.00 0.00 177.39 176.87 3knl h GLU 44 N 0.00 0.16 0.00 3.23 5.08 -1.00 -2.11 114.58 119.94 3knl h GLU 44 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3knl h GLU 44 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3knl h GLU 44 CO 0.00 0.11 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 3knl n LYS 45 N -4.40 0.00 -0.63 2.33 5.02 0.14 -3.68 118.16 116.94 3knl n LYS 45 Ca 0.27 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.49 3knl n LYS 45 Cb 1.15 -0.38 -0.10 0.00 -0.02 0.00 0.00 35.03 35.68 3knl n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3knl n GLU 46 N -0.04 1.26 0.00 1.97 1.02 0.36 -2.51 120.64 122.70 3knl n GLU 46 Ca 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.54 3knl n GLU 46 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3knl n GLU 46 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3knl n LEU 47 N 2.59 0.00 0.18 -4.62 7.94 -0.80 -4.87 117.00 117.42 3knl n LEU 47 Ca 0.26 -0.08 0.05 0.00 -1.11 0.00 0.00 56.01 55.13 3knl n LEU 47 Cb 0.58 0.00 0.33 0.00 0.53 0.00 0.00 43.42 44.86 3knl n LEU 47 CO 0.15 0.23 0.67 0.22 -1.11 0.00 0.00 177.39 177.56 3knl h TYR 48 N 0.00 0.00 -0.63 1.96 3.20 -1.56 -2.03 116.97 117.90 3knl h TYR 48 Ca 0.00 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 3knl h TYR 48 Cb 0.60 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3knl h TYR 48 CO 0.00 0.40 0.47 0.77 -1.64 0.00 0.00 178.16 178.16 3knl h SER 49 N 0.00 0.00 0.80 -2.11 0.02 -1.90 1.80 113.55 112.17 3knl h SER 49 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3knl h SER 49 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3knl h SER 49 CO 0.05 0.00 -0.85 0.00 -1.14 0.00 0.00 176.83 174.90 3knl n ALA 50 N -2.63 2.90 -2.74 3.77 0.00 -0.79 -4.96 120.51 116.06 3knl n ALA 50 Ca 0.12 -0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3knl n ALA 50 Cb 0.72 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3knl n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knl n GLY 51 N 1.29 -1.15 0.00 0.00 0.00 0.61 -2.65 105.19 103.30 3knl n GLY 51 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3knl n GLY 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3knl n LEU 52 N -1.08 0.00 0.00 0.99 -0.00 -1.25 -3.06 117.00 112.60 3knl n LEU 52 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 3knl n LEU 52 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 3knl n LEU 52 CO 0.43 -0.72 0.00 0.00 -0.00 0.00 0.00 177.39 177.09 3knl n ALA 53 N -3.00 0.00 -3.58 1.47 0.00 -1.21 -4.67 120.51 109.52 3knl n ALA 53 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3knl n ALA 53 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3knl n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3knl s ARG 54 N 0.00 0.54 -0.35 0.00 3.52 -1.26 -4.84 118.95 116.56 3knl s ARG 54 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 3knl s ARG 54 Cb 0.00 0.25 0.14 0.00 -1.56 0.00 0.00 34.95 33.78 3knl s ARG 54 CO 0.00 -0.19 0.25 0.08 -0.81 0.00 0.00 175.30 174.64 3knl s VAL 55 N -1.51 -0.05 0.35 7.11 1.01 -1.26 -2.09 120.40 123.96 3knl s VAL 55 Ca 0.01 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 3knl s VAL 55 Cb -0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 3knl s VAL 55 CO -0.02 -0.82 0.99 -0.62 0.00 0.00 0.00 175.10 174.63 3knl s ASP 56 N 1.35 7.15 -0.05 3.32 2.15 -1.21 -4.76 116.67 124.61 3knl s ASP 56 Ca 0.16 1.93 -0.02 0.00 0.43 0.00 0.00 52.55 55.05 3knl s ASP 56 Cb -0.20 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3knl s ASP 56 CO -0.06 -0.21 0.12 -0.63 -0.17 0.00 0.00 175.17 174.22 3knl s ILE 57 N -1.60 -0.05 0.10 4.11 1.01 -1.21 -1.17 121.20 122.39 3knl s ILE 57 Ca 0.52 0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.39 3knl s ILE 57 Cb -0.20 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 3knl s ILE 57 CO 0.26 0.07 -0.12 -1.61 0.00 0.00 0.00 174.94 173.54 3knl s GLU 58 N 1.05 0.89 0.27 2.79 2.02 -1.25 0.12 118.70 124.59 3knl s GLU 58 Ca -0.08 -1.16 -0.10 0.00 0.02 0.00 0.00 54.97 53.64 3knl s GLU 58 Cb -0.11 -0.67 0.04 0.00 0.10 0.00 0.00 34.13 33.49 3knl s GLU 58 CO -0.05 0.12 0.55 0.54 0.02 0.00 0.00 175.26 176.44 3knl n ARG 59 N 0.63 0.78 0.01 1.61 1.74 -1.11 -1.55 116.66 118.76 3knl n ARG 59 Ca -0.16 -1.52 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 3knl n ARG 59 Cb 0.57 1.91 0.00 0.00 -1.02 0.00 0.00 32.46 33.92 3knl n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knl n ALA 60 N -1.32 0.00 0.00 7.54 0.00 -1.26 -4.64 120.51 120.82 3knl n ALA 60 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3knl n ALA 60 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3knl n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knl n ALA 61 N -2.35 0.00 -3.44 0.00 0.00 -1.26 -5.00 120.51 108.46 3knl n ALA 61 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3knl n ALA 61 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3knl n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3knl n ASP 62 N 0.00 -4.07 -3.64 0.00 9.92 -1.26 -5.01 116.55 112.49 3knl n ASP 62 Ca 0.00 -0.74 -0.06 0.00 -0.53 0.00 0.00 54.79 53.46 3knl n ASP 62 Cb 0.00 -4.74 -0.07 0.00 -0.64 0.00 0.00 41.12 35.68 3knl n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3knl s ASN 63 N -3.87 -0.97 -0.14 -2.24 2.20 -1.26 -4.26 114.94 104.40 3knl s ASN 63 Ca 0.24 1.51 -0.02 0.00 -0.94 0.00 0.00 52.86 53.64 3knl s ASN 63 Cb -0.04 1.57 0.05 0.00 -2.00 0.00 0.00 41.25 40.82 3knl s ASN 63 CO 0.77 -0.23 0.03 0.68 -2.94 0.00 0.00 177.10 175.40 3knl s VAL 64 N 1.92 0.38 0.00 3.54 -7.23 0.67 -4.29 120.40 115.39 3knl s VAL 64 Ca -0.09 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 3knl s VAL 64 Cb -0.07 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.11 3knl s VAL 64 CO -0.19 -0.02 0.00 0.00 -0.31 0.00 0.00 175.10 174.58 3knl n ALA 65 N 5.12 0.00 -1.31 1.32 0.00 -0.60 -2.47 120.51 122.57 3knl n ALA 65 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3knl n ALA 65 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3knl n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knl n VAL 66 N 0.00 -0.07 -2.44 0.00 0.31 -0.69 -3.98 118.33 111.47 3knl n VAL 66 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 3knl n VAL 66 Cb 0.00 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 3knl n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3knl n THR 67 N -0.70 3.91 -1.98 2.52 -1.04 -0.32 -3.65 114.28 113.02 3knl n THR 67 Ca 0.00 -3.98 -0.42 0.00 -2.04 0.00 0.00 64.05 57.60 3knl n THR 67 Cb 0.34 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.40 3knl n THR 67 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3knl s VAL 68 N 3.40 3.52 0.27 12.58 1.01 -1.25 -3.36 120.40 136.58 3knl s VAL 68 Ca 0.50 0.62 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 3knl s VAL 68 Cb 0.05 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 3knl s VAL 68 CO 0.03 -0.10 0.56 -1.00 0.00 0.00 0.00 175.10 174.59 3knl s HIS 69 N 4.56 3.46 0.20 5.22 3.76 -0.89 -3.26 115.29 128.34 3knl s HIS 69 Ca 0.76 0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 56.25 3knl s HIS 69 Cb -0.32 -2.19 0.03 0.00 1.11 0.00 0.00 32.58 31.21 3knl s HIS 69 CO 0.31 0.20 0.55 0.08 -0.85 0.00 0.00 174.74 175.02 3knl s VAL 70 N -1.99 0.02 -0.55 -0.90 1.01 -1.21 -3.31 120.40 113.47 3knl s VAL 70 Ca 0.46 -0.76 0.16 0.00 0.00 0.00 0.00 61.98 61.83 3knl s VAL 70 Cb -0.11 -1.60 -0.19 0.00 0.00 0.00 0.00 36.38 34.48 3knl s VAL 70 CO 0.26 -0.09 0.58 0.00 0.00 0.00 0.00 175.10 175.86 3knl n ALA 71 N -0.36 3.66 -2.73 5.51 0.00 -1.17 0.30 120.51 125.72 3knl n ALA 71 Ca -0.10 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.70 3knl n ALA 71 Cb 0.62 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 3knl n ALA 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knl n LYS 72 N -1.55 2.58 -0.16 0.00 5.02 -1.09 -4.85 118.16 118.11 3knl n LYS 72 Ca 0.01 -4.19 0.29 0.00 -2.02 0.00 0.00 58.31 52.40 3knl n LYS 72 Cb 0.29 -1.97 0.69 0.00 -0.02 0.00 0.00 35.03 34.03 3knl n LYS 72 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3knl h PRO 73 N 2.83 0.00 0.18 1.97 0.13 -1.86 0.51 132.00 135.76 3knl h PRO 73 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3knl h PRO 73 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3knl h PRO 73 CO 0.72 0.00 -0.23 0.78 -0.23 0.00 0.00 178.00 179.05 3knl h GLY 74 N 0.00 -1.01 -0.66 1.56 0.00 -1.97 -2.81 103.07 98.17 3knl h GLY 74 Ca 0.42 0.47 0.36 0.00 0.00 0.00 0.00 47.33 48.58 3knl h GLY 74 CO -0.00 -0.33 0.74 -2.08 0.00 0.00 0.00 176.54 174.86 3knl h VAL 75 N -0.42 0.29 -0.55 4.60 2.07 -1.28 -1.25 116.25 119.72 3knl h VAL 75 Ca -0.02 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 3knl h VAL 75 Cb 0.37 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3knl h VAL 75 CO -0.05 0.04 0.04 -0.37 0.02 0.00 0.00 177.57 177.25 3knl h VAL 76 N 0.23 1.26 0.07 2.57 -1.51 -1.49 -3.29 116.25 114.09 3knl h VAL 76 Ca 0.73 -1.04 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3knl h VAL 76 Cb 2.05 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 3knl h VAL 76 CO -0.41 0.38 -0.03 0.40 -1.23 0.00 0.00 177.57 176.67 3knl h ILE 77 N 0.82 1.03 0.00 7.19 2.04 -1.11 -3.15 117.51 124.33 3knl h ILE 77 Ca 0.16 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3knl h ILE 77 Cb 0.48 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3knl h ILE 77 CO 0.02 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.86 3knl n GLY 78 N -0.72 1.98 3.63 5.37 0.00 -1.20 0.34 105.19 114.59 3knl n GLY 78 Ca -0.08 -1.97 -0.48 0.00 0.00 0.00 0.00 46.02 43.50 3knl n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knl n ARG 79 N 1.54 2.02 0.00 1.61 1.85 -1.26 -3.02 116.66 119.39 3knl n ARG 79 Ca 0.00 0.70 0.00 0.00 -1.00 0.00 0.00 57.85 57.55 3knl n ARG 79 Cb 0.00 -2.73 0.00 0.00 -1.05 0.00 0.00 32.46 28.68 3knl n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knl n GLY 80 N 4.95 1.42 0.00 2.89 0.00 -1.26 -3.39 105.19 109.79 3knl n GLY 80 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3knl n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 81 N 0.00 0.00 0.71 -0.02 0.00 -1.17 -5.06 105.19 99.66 3knl n GLY 81 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3knl n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knl n GLU 82 N 0.00 2.11 0.01 1.61 4.71 -1.22 -4.54 120.64 123.32 3knl n GLU 82 Ca 0.00 -2.90 -0.02 0.00 -0.01 0.00 0.00 57.16 54.24 3knl n GLU 82 Cb 0.00 -1.73 -0.01 0.00 -1.01 0.00 0.00 31.44 28.70 3knl n GLU 82 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 3knl n ARG 83 N -0.96 0.06 0.00 3.49 3.00 0.13 -4.28 116.66 118.09 3knl n ARG 83 Ca 0.23 0.03 0.01 0.00 -0.00 0.00 0.00 57.85 58.11 3knl n ARG 83 Cb 0.84 -0.61 0.06 0.00 0.00 0.00 0.00 32.46 32.75 3knl n ARG 83 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3knl n ILE 84 N -3.43 0.00 -0.01 5.15 3.06 0.15 0.97 119.36 125.25 3knl n ILE 84 Ca -0.03 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.25 3knl n ILE 84 Cb 0.25 -0.59 -0.08 0.00 0.54 0.00 0.00 39.64 39.76 3knl n ILE 84 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3knl n ARG 85 N -0.68 0.62 0.00 9.51 3.00 -1.26 -3.89 116.66 123.97 3knl n ARG 85 Ca 0.01 -0.08 0.12 0.00 -0.00 0.00 0.00 57.85 57.90 3knl n ARG 85 Cb 0.01 -1.25 0.25 0.00 0.00 0.00 0.00 32.46 31.48 3knl n ARG 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3knl n VAL 86 N -1.93 0.00 -0.05 5.15 0.24 0.27 -3.21 118.33 118.80 3knl n VAL 86 Ca -0.04 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 3knl n VAL 86 Cb 0.35 0.46 -0.14 0.00 -1.47 0.00 0.00 33.84 33.04 3knl n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3knl n LEU 87 N -1.01 1.99 0.18 1.34 4.77 -0.71 -2.11 117.00 121.44 3knl n LEU 87 Ca 0.09 0.13 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 3knl n LEU 87 Cb 0.35 -0.57 0.50 0.00 -2.33 0.00 0.00 43.42 41.37 3knl n LEU 87 CO 0.31 0.73 0.97 0.03 -1.33 0.00 0.00 177.39 178.11 3knl h ARG 88 N 0.03 0.14 0.02 3.23 3.08 -1.67 0.29 114.38 119.49 3knl h ARG 88 Ca -0.46 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 3knl h ARG 88 Cb 2.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.05 3knl h ARG 88 CO 0.03 0.21 -0.01 1.49 -1.07 0.00 0.00 179.97 180.63 3knl h GLU 89 N 0.13 -0.02 -0.84 0.04 4.57 -1.61 -2.63 114.58 114.21 3knl h GLU 89 Ca 0.03 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3knl h GLU 89 Cb 0.21 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.70 3knl h GLU 89 CO 0.01 -0.02 -0.53 0.93 -1.18 0.00 0.00 179.01 178.22 3knl h GLU 90 N -0.03 -0.05 0.00 1.92 4.39 -0.86 1.28 114.58 121.23 3knl h GLU 90 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3knl h GLU 90 Cb 0.02 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3knl h GLU 90 CO 0.00 -0.03 0.00 1.28 -1.16 0.00 0.00 179.01 179.10 3knl n LEU 91 N -5.06 0.00 -0.25 1.33 4.77 0.98 -0.73 117.00 118.03 3knl n LEU 91 Ca 0.01 0.85 0.18 0.00 -0.03 0.00 0.00 56.01 57.02 3knl n LEU 91 Cb 0.25 -0.35 0.48 0.00 -2.33 0.00 0.00 43.42 41.47 3knl n LEU 91 CO -0.13 -0.35 1.22 0.00 -1.33 0.00 0.00 177.39 176.81 3knl h ALA 92 N -1.48 2.13 -1.57 -1.18 0.00 -1.18 -0.64 119.26 115.33 3knl h ALA 92 Ca 0.00 0.02 0.48 0.00 0.00 0.00 0.00 54.91 55.41 3knl h ALA 92 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3knl h ALA 92 CO 0.00 -0.41 1.08 -0.22 0.00 0.00 0.00 179.25 179.71 3knl h LYS 93 N 0.46 0.04 0.08 0.00 3.64 0.39 0.35 116.57 121.52 3knl h LYS 93 Ca 0.47 -0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.49 3knl h LYS 93 Cb 1.09 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 3knl h LYS 93 CO -0.19 0.03 -1.99 1.47 -2.27 0.00 0.00 179.45 176.50 3knl n LEU 94 N -4.32 2.54 -3.82 5.20 -0.00 -0.26 -4.68 117.00 111.65 3knl n LEU 94 Ca 0.39 0.19 -0.28 0.00 -0.00 0.00 0.00 56.01 56.31 3knl n LEU 94 Cb 1.65 -1.05 -0.12 0.00 -0.00 0.00 0.00 43.42 43.90 3knl n LEU 94 CO 0.33 0.76 -0.11 -0.89 -0.00 0.00 0.00 177.39 177.48 3knl s THR 95 N -2.52 2.38 -0.41 1.47 2.01 0.10 -5.06 115.64 113.61 3knl s THR 95 Ca -0.26 -3.78 -0.42 0.00 0.31 0.00 0.00 61.69 57.54 3knl s THR 95 Cb 0.07 -2.58 -0.17 0.00 0.01 0.00 0.00 72.50 69.83 3knl s THR 95 CO 0.70 -1.00 1.92 0.61 -0.69 0.00 0.00 174.62 176.16 3knl n GLY 96 N 2.38 0.35 1.96 4.40 0.00 -0.02 -4.48 105.19 109.78 3knl n GLY 96 Ca 0.18 1.00 0.02 0.00 0.00 0.00 0.00 46.02 47.22 3knl n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knl n LYS 97 N 6.31 0.07 -1.78 1.61 4.81 -1.26 -5.06 118.16 122.85 3knl n LYS 97 Ca 0.39 -0.34 -0.20 0.00 -0.87 0.00 0.00 58.31 57.29 3knl n LYS 97 Cb 0.06 0.59 -0.09 0.00 0.02 0.00 0.00 35.03 35.61 3knl n LYS 97 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3knl s ASN 98 N -2.41 4.09 -1.12 3.14 3.84 -1.26 -4.87 114.94 116.35 3knl s ASN 98 Ca 0.15 -1.09 -0.09 0.00 0.21 0.00 0.00 52.86 52.05 3knl s ASN 98 Cb -0.00 -2.59 0.28 0.00 -0.55 0.00 0.00 41.25 38.39 3knl s ASN 98 CO -0.01 -4.02 1.20 1.33 -2.79 0.00 0.00 177.10 172.82 3knl n VAL 99 N 8.54 4.68 -2.60 -5.21 0.24 -1.26 -0.24 118.33 122.48 3knl n VAL 99 Ca 0.43 -5.43 -0.33 0.00 -2.04 0.00 0.00 64.34 56.97 3knl n VAL 99 Cb 0.46 -2.50 -0.05 0.00 -1.47 0.00 0.00 33.84 30.29 3knl n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knl s ALA 100 N -1.35 2.98 -0.45 2.33 0.00 -1.03 -4.89 121.76 119.36 3knl s ALA 100 Ca 0.32 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.74 3knl s ALA 100 Cb -0.07 -3.17 0.22 0.00 0.00 0.00 0.00 23.12 20.09 3knl s ALA 100 CO -0.05 -0.13 0.61 -0.11 0.00 0.00 0.00 175.76 176.08 3knl n LEU 101 N -1.03 -1.47 0.00 0.00 0.00 -1.26 -4.40 117.00 108.84 3knl n LEU 101 Ca 0.08 -3.92 -0.15 0.00 0.00 0.00 0.00 56.01 52.02 3knl n LEU 101 Cb 0.54 0.69 0.13 0.00 0.00 0.00 0.00 43.42 44.78 3knl n LEU 101 CO 0.40 1.98 0.26 0.59 0.00 0.00 0.00 177.39 180.62 3knl n ASN 102 N 2.12 -2.05 -2.69 1.96 3.02 -1.24 -4.93 115.26 111.45 3knl n ASN 102 Ca 0.20 -0.70 -0.07 0.00 -0.03 0.00 0.00 54.58 53.98 3knl n ASN 102 Cb 0.55 -0.49 0.10 0.00 -0.61 0.00 0.00 39.78 39.32 3knl n ASN 102 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3knl n VAL 103 N -3.91 0.30 -1.45 2.41 0.31 -1.26 -3.77 118.33 110.96 3knl n VAL 103 Ca 0.07 -1.90 -0.47 0.00 -0.01 0.00 0.00 64.34 62.03 3knl n VAL 103 Cb 0.29 0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 34.06 3knl n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knl n GLN 104 N -0.56 0.70 -1.75 5.55 1.13 -1.20 -4.71 117.38 116.53 3knl n GLN 104 Ca -0.01 0.14 -0.41 0.00 -1.94 0.00 0.00 57.00 54.78 3knl n GLN 104 Cb 0.84 -2.31 0.01 0.00 0.11 0.00 0.00 30.24 28.89 3knl n GLN 104 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3knl n GLU 105 N 8.33 2.41 -2.93 -1.09 2.13 -1.26 -3.34 120.64 124.89 3knl n GLU 105 Ca 0.48 0.85 -0.40 0.00 0.66 0.00 0.00 57.16 58.74 3knl n GLU 105 Cb 0.21 -2.59 -0.05 0.00 0.27 0.00 0.00 31.44 29.29 3knl n GLU 105 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3knl s VAL 106 N -1.15 4.81 0.00 6.31 1.01 0.87 -4.81 120.40 127.44 3knl s VAL 106 Ca 0.57 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.24 3knl s VAL 106 Cb -0.48 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 31.75 3knl s VAL 106 CO 0.61 0.30 0.00 0.00 0.00 0.00 0.00 175.10 176.01 3knl n GLN 107 N 3.20 0.00 -2.05 2.72 3.00 -1.26 -4.67 117.38 118.32 3knl n GLN 107 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 3knl n GLN 107 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.72 3knl n GLN 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3knl s ASN 108 N -1.75 5.57 0.32 1.08 2.47 -1.26 -4.85 114.94 116.53 3knl s ASN 108 Ca 0.00 0.73 0.08 0.00 0.42 0.00 0.00 52.86 54.09 3knl s ASN 108 Cb 0.00 -2.53 0.81 0.00 -1.45 0.00 0.00 41.25 38.09 3knl s ASN 108 CO 0.00 -2.07 1.77 -0.65 -3.72 0.00 0.00 177.10 172.43 3knl h PRO 109 N 13.91 0.66 0.00 0.43 0.11 -1.94 0.54 132.00 145.70 3knl h PRO 109 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3knl h PRO 109 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3knl h PRO 109 CO 1.14 0.44 0.00 0.09 -0.21 0.00 0.00 178.00 179.46 3knl n ASN 110 N -4.78 0.00 -0.31 -2.05 3.02 -1.26 0.63 115.26 110.50 3knl n ASN 110 Ca 0.24 -0.28 0.07 0.00 -0.03 0.00 0.00 54.58 54.58 3knl n ASN 110 Cb 0.64 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.92 3knl n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knl n LEU 111 N -0.69 1.76 -3.81 3.41 4.77 0.19 -4.48 117.00 118.15 3knl n LEU 111 Ca 0.02 -2.63 -0.30 0.00 -0.03 0.00 0.00 56.01 53.07 3knl n LEU 111 Cb 0.01 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.63 3knl n LEU 111 CO 0.01 0.68 -0.34 -0.55 -1.33 0.00 0.00 177.39 175.86 3knl s SER 112 N -2.43 4.09 0.05 -1.43 0.15 0.20 -4.99 113.70 109.36 3knl s SER 112 Ca 0.25 -1.65 -0.11 0.00 0.70 0.00 0.00 55.95 55.14 3knl s SER 112 Cb 0.23 -1.02 -0.03 0.00 -1.71 0.00 0.00 66.02 63.49 3knl s SER 112 CO 0.00 -0.39 1.19 0.00 1.20 0.00 0.00 173.24 175.25 3knl h ALA 113 N 8.00 -0.30 -1.00 5.45 0.00 -1.81 0.58 119.26 130.18 3knl h ALA 113 Ca -0.12 0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.10 3knl h ALA 113 Cb 1.03 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.81 3knl h ALA 113 CO 0.47 -0.43 1.08 -1.35 0.00 0.00 0.00 179.25 179.02 3knl h PRO 114 N -0.05 0.00 0.00 0.00 0.11 -1.88 0.49 132.00 130.66 3knl h PRO 114 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 3knl h PRO 114 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3knl h PRO 114 CO -0.29 0.00 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.30 3knl h LEU 115 N 0.00 0.00 -2.07 2.35 3.38 -0.18 -2.75 115.31 116.04 3knl h LEU 115 Ca 0.47 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.55 3knl h LEU 115 Cb 2.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.37 3knl h LEU 115 CO -0.00 0.57 0.31 0.58 0.09 0.00 0.00 178.44 179.98 3knl h VAL 116 N -1.00 0.60 0.00 1.22 2.07 0.64 0.59 116.25 120.37 3knl h VAL 116 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3knl h VAL 116 Cb 0.14 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3knl h VAL 116 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3knl n ALA 117 N -2.48 -0.19 -0.37 1.67 0.00 0.15 -2.29 120.51 116.99 3knl n ALA 117 Ca 0.06 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.83 3knl n ALA 117 Cb 0.48 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.61 3knl n ALA 117 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3knl h GLN 118 N 0.00 0.12 -0.75 0.00 4.20 -1.18 1.27 115.11 118.78 3knl h GLN 118 Ca 0.00 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.87 3knl h GLN 118 Cb 0.00 -0.03 -0.12 0.00 0.30 0.00 0.00 27.48 27.64 3knl h GLN 118 CO 0.00 0.08 0.15 -0.09 -0.67 0.00 0.00 178.83 178.30 3knl h ARG 119 N 0.13 0.22 0.09 1.46 9.65 0.29 0.77 114.38 126.99 3knl h ARG 119 Ca 0.64 -0.01 -0.29 0.00 -1.10 0.00 0.00 59.98 59.22 3knl h ARG 119 Cb 2.22 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 30.74 3knl h ARG 119 CO -0.15 0.15 -1.48 0.28 2.80 0.00 0.00 179.97 181.56 3knl h VAL 120 N 0.23 1.19 -0.37 0.20 2.07 0.20 -3.34 116.25 116.43 3knl h VAL 120 Ca 0.42 -2.86 0.05 0.00 0.82 0.00 0.00 66.70 65.13 3knl h VAL 120 Cb 0.74 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 33.20 3knl h VAL 120 CO -0.55 0.80 0.11 0.00 0.02 0.00 0.00 177.57 177.95 3knl h ALA 121 N 0.61 0.42 -0.59 1.67 0.00 -0.37 -2.38 119.26 118.62 3knl h ALA 121 Ca -0.22 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3knl h ALA 121 Cb 1.98 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.75 3knl h ALA 121 CO 0.15 -0.29 -0.38 0.93 0.00 0.00 0.00 179.25 179.66 3knl h GLU 122 N 0.25 -0.04 -0.42 0.00 5.08 -1.00 -1.58 114.58 116.88 3knl h GLU 122 Ca 0.17 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3knl h GLU 122 Cb 0.17 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 3knl h GLU 122 CO -0.20 -0.02 -0.54 1.96 -1.00 0.00 0.00 179.01 179.21 3knl h GLN 123 N -0.04 -0.37 -0.88 2.33 4.20 -1.56 -0.91 115.11 117.89 3knl h GLN 123 Ca 0.10 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.96 3knl h GLN 123 Cb 0.28 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.06 3knl h GLN 123 CO -0.58 -0.25 0.50 0.82 -0.67 0.00 0.00 178.83 178.65 3knl h ILE 124 N -0.38 0.82 -0.08 2.54 2.04 -1.07 0.38 117.51 121.77 3knl h ILE 124 Ca 0.09 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.71 3knl h ILE 124 Cb 0.59 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3knl h ILE 124 CO -0.60 0.14 0.10 -0.33 0.00 0.00 0.00 178.15 177.46 3knl h GLU 125 N 0.76 0.00 -0.60 2.37 5.08 -0.21 0.43 114.58 122.41 3knl h GLU 125 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3knl h GLU 125 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3knl h GLU 125 CO -0.31 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.24 3knl n ARG 126 N -3.67 3.08 -3.16 2.33 1.74 0.12 -4.97 116.66 112.13 3knl n ARG 126 Ca -0.01 -2.61 -0.14 0.00 -0.77 0.00 0.00 57.85 54.32 3knl n ARG 126 Cb 0.20 -1.62 0.07 0.00 -1.02 0.00 0.00 32.46 30.09 3knl n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knl n ARG 127 N 1.13 -5.39 -3.22 5.56 3.00 0.15 -5.05 116.66 112.85 3knl n ARG 127 Ca 0.22 0.69 -0.23 0.00 -0.01 0.00 0.00 57.85 58.52 3knl n ARG 127 Cb 0.68 -5.22 -0.00 0.00 0.00 0.00 0.00 32.46 27.91 3knl n ARG 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3knl s PHE 128 N -3.29 3.34 0.37 -1.55 0.08 -1.06 -4.99 117.98 110.89 3knl s PHE 128 Ca 0.01 0.25 -0.28 0.00 0.12 0.00 0.00 56.93 57.03 3knl s PHE 128 Cb -0.00 -2.09 -0.11 0.00 -0.57 0.00 0.00 43.02 40.25 3knl s PHE 128 CO 0.59 -0.10 1.45 0.00 -0.10 0.00 0.00 175.22 177.06 3knl n ALA 129 N -1.90 2.19 -0.18 5.36 0.00 -1.26 -4.68 120.51 120.04 3knl n ALA 129 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3knl n ALA 129 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3knl n ALA 129 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knl n VAL 130 N 0.39 0.00 -0.39 0.00 0.31 -1.26 -2.68 118.33 114.70 3knl n VAL 130 Ca 0.02 0.52 -0.02 0.00 -0.01 0.00 0.00 64.34 64.85 3knl n VAL 130 Cb 0.38 -1.36 0.03 0.00 -0.91 0.00 0.00 33.84 31.98 3knl n VAL 130 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knl n ARG 131 N -1.74 -0.25 -0.23 5.55 0.63 -1.26 0.11 116.66 119.46 3knl n ARG 131 Ca 0.00 1.53 0.02 0.00 -0.92 0.00 0.00 57.85 58.48 3knl n ARG 131 Cb 0.00 -2.26 0.14 0.00 0.45 0.00 0.00 32.46 30.79 3knl n ARG 131 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 3knl h ARG 132 N 0.00 0.45 0.00 -0.14 0.11 -1.98 0.58 114.38 113.40 3knl h ARG 132 Ca 0.33 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.38 3knl h ARG 132 Cb 0.58 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.55 3knl h ARG 132 CO -0.98 0.30 0.00 0.00 0.10 0.00 0.00 179.97 179.39 3knl n ALA 133 N -2.47 2.19 -0.01 0.08 0.00 0.29 -2.55 120.51 118.04 3knl n ALA 133 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3knl n ALA 133 Cb 0.33 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3knl n ALA 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knl n ILE 134 N -0.70 0.58 0.28 0.00 2.08 0.19 -3.82 119.36 117.97 3knl n ILE 134 Ca 0.06 0.27 0.08 0.00 0.56 0.00 0.00 62.75 63.72 3knl n ILE 134 Cb 0.03 -1.58 0.45 0.00 -0.75 0.00 0.00 39.64 37.79 3knl n ILE 134 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3knl h LYS 135 N -0.23 0.00 0.01 0.38 1.57 -1.30 0.33 116.57 117.33 3knl h LYS 135 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3knl h LYS 135 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3knl h LYS 135 CO 0.00 0.00 -0.00 0.37 -0.57 0.00 0.00 179.45 179.25 3knl h GLN 136 N 0.00 -0.01 -0.85 3.15 4.15 -1.72 -2.69 115.11 117.14 3knl h GLN 136 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.58 3knl h GLN 136 Cb 1.04 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.63 3knl h GLN 136 CO 0.00 -0.01 0.42 0.00 -1.93 0.00 0.00 178.83 177.31 3knl h ALA 137 N -1.48 1.28 0.73 3.38 0.00 -0.69 1.21 119.26 123.68 3knl h ALA 137 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3knl h ALA 137 Cb 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3knl h ALA 137 CO 0.00 -0.14 -0.45 0.28 0.00 0.00 0.00 179.25 178.94 3knl h VAL 138 N 0.57 0.00 -0.36 0.00 2.07 -0.68 -1.67 116.25 116.19 3knl h VAL 138 Ca 0.47 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.03 3knl h VAL 138 Cb 0.71 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3knl h VAL 138 CO -0.39 0.00 -0.39 -0.61 0.02 0.00 0.00 177.57 176.20 3knl h GLN 139 N -1.11 -0.22 -1.01 1.57 5.75 -0.80 0.59 115.11 119.89 3knl h GLN 139 Ca -0.10 0.01 0.32 0.00 -0.15 0.00 0.00 58.65 58.74 3knl h GLN 139 Cb 0.89 0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.42 3knl h GLN 139 CO 0.09 -0.14 0.70 -2.13 -2.65 0.00 0.00 178.83 174.70 3knl n ARG 140 N -4.54 -0.01 0.00 1.69 0.63 0.40 -1.07 116.66 113.77 3knl n ARG 140 Ca -0.02 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 3knl n ARG 140 Cb 0.22 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.63 3knl n ARG 140 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3knl n VAL 141 N -3.53 0.00 -0.29 5.15 0.31 0.20 -3.66 118.33 116.51 3knl n VAL 141 Ca 0.26 0.21 0.10 0.00 -0.01 0.00 0.00 64.34 64.89 3knl n VAL 141 Cb 1.08 -0.52 0.20 0.00 -0.91 0.00 0.00 33.84 33.70 3knl n VAL 141 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3knl n MET 142 N -0.87 -0.07 -0.11 5.55 2.81 -0.37 -0.22 117.12 123.84 3knl n MET 142 Ca 0.00 1.26 -0.09 0.00 -1.81 0.00 0.00 57.70 57.06 3knl n MET 142 Cb 0.00 -1.97 -0.04 0.00 -0.71 0.00 0.00 33.22 30.51 3knl n MET 142 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3knl h GLU 143 N 0.00 -0.31 -2.02 0.03 5.08 -1.28 0.14 114.58 116.22 3knl h GLU 143 Ca 0.47 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.80 3knl h GLU 143 Cb 0.89 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 3knl h GLU 143 CO -0.81 -0.21 -0.08 -1.13 -1.00 0.00 0.00 179.01 175.78 3knl n SER 144 N -5.42 4.88 -1.71 1.42 3.41 0.69 -4.82 113.62 112.07 3knl n SER 144 Ca -0.00 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 3knl n SER 144 Cb 0.35 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 3knl n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knl n GLY 145 N 1.81 -5.00 3.59 5.00 0.00 0.46 -4.93 105.19 106.12 3knl n GLY 145 Ca 0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 3knl n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl s ALA 146 N -0.66 -2.03 -0.11 4.61 0.00 -1.14 -4.66 121.76 117.78 3knl s ALA 146 Ca 0.00 1.25 0.15 0.00 0.00 0.00 0.00 51.96 53.36 3knl s ALA 146 Cb 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 23.12 23.01 3knl s ALA 146 CO 0.00 -0.72 0.16 1.63 0.00 0.00 0.00 175.76 176.83 3knl n LYS 147 N -0.21 1.11 -3.59 0.00 4.76 -1.03 -4.87 118.16 114.33 3knl n LYS 147 Ca -0.03 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 3knl n LYS 147 Cb 0.60 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 3knl n LYS 147 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3knl s GLY 148 N -4.60 -0.42 -0.07 0.72 0.00 -1.22 -1.57 107.32 100.16 3knl s GLY 148 Ca -0.07 1.98 -0.04 0.00 0.00 0.00 0.00 44.72 46.59 3knl s GLY 148 CO 0.67 1.42 0.16 0.00 0.00 0.00 0.00 173.10 175.36 3knl s ALA 149 N -0.35 -0.35 -0.10 3.20 0.00 0.05 0.71 121.76 124.92 3knl s ALA 149 Ca -0.03 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.53 3knl s ALA 149 Cb -0.03 -0.41 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3knl s ALA 149 CO 0.02 -0.13 0.21 0.21 0.00 0.00 0.00 175.76 176.07 3knl s LYS 150 N 0.80 0.15 -0.06 0.00 2.20 0.24 -1.35 119.74 121.72 3knl s LYS 150 Ca -0.06 0.52 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 3knl s LYS 150 Cb -0.08 -0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.10 3knl s LYS 150 CO -0.04 -0.20 -0.20 0.08 -0.36 0.00 0.00 175.35 174.63 3knl s VAL 151 N 1.53 1.67 -0.09 4.02 1.01 -0.33 0.11 120.40 128.32 3knl s VAL 151 Ca -0.06 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3knl s VAL 151 Cb -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.83 3knl s VAL 151 CO -0.08 0.47 -0.22 -0.63 0.00 0.00 0.00 175.10 174.64 3knl s ILE 152 N 0.15 1.93 -0.46 2.22 1.01 -0.38 -2.75 121.20 122.91 3knl s ILE 152 Ca -0.09 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 3knl s ILE 152 Cb -0.14 -1.67 0.12 0.00 0.01 0.00 0.00 42.46 40.78 3knl s ILE 152 CO 0.04 0.53 0.27 -0.69 0.00 0.00 0.00 174.94 175.10 3knl s VAL 153 N 0.32 3.47 0.00 2.92 1.01 0.14 -2.22 120.40 126.04 3knl s VAL 153 Ca -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 61.98 59.57 3knl s VAL 153 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3knl s VAL 153 CO 0.08 -0.74 0.00 -1.54 0.00 0.00 0.00 175.10 172.89 3knl n SER 154 N 4.36 0.00 -3.62 3.32 3.41 0.00 -1.44 113.62 119.66 3knl n SER 154 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 3knl n SER 154 Cb 0.40 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 3knl n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3knl s GLY 155 N 0.00 -0.06 0.00 5.00 0.00 -1.20 -3.06 107.32 108.00 3knl s GLY 155 Ca 0.00 2.60 0.00 0.00 0.00 0.00 0.00 44.72 47.32 3knl s GLY 155 CO 0.00 1.39 0.00 0.54 0.00 0.00 0.00 173.10 175.03 3knl n ARG 156 N 1.17 0.00 -1.37 2.90 5.12 -1.23 -4.58 116.66 118.67 3knl n ARG 156 Ca -0.09 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.40 3knl n ARG 156 Cb 0.57 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.87 3knl n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3knl n ILE 157 N -0.60 1.26 -2.18 0.55 5.41 -1.26 -1.41 119.36 121.13 3knl n ILE 157 Ca 0.00 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.14 3knl n ILE 157 Cb 0.00 -0.17 -0.01 0.00 -0.71 0.00 0.00 39.64 38.75 3knl n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knl n GLY 158 N 2.09 -0.14 3.08 7.39 0.00 -1.26 -1.06 105.19 115.28 3knl n GLY 158 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3knl n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 159 N -0.63 -0.51 3.87 -0.02 0.00 -0.50 -4.98 105.19 102.42 3knl n GLY 159 Ca -0.12 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3knl n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl s ALA 160 N -3.10 3.29 0.10 4.61 0.00 -0.23 -5.01 121.76 121.42 3knl s ALA 160 Ca 0.31 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 3knl s ALA 160 Cb -0.15 -2.79 -0.15 0.00 0.00 0.00 0.00 23.12 20.03 3knl s ALA 160 CO 0.39 -0.09 1.31 1.49 0.00 0.00 0.00 175.76 178.86 3knl h GLU 161 N 1.10 0.78 -6.41 0.00 4.81 -1.90 -3.40 114.58 109.56 3knl h GLU 161 Ca -0.47 -0.61 -0.56 0.00 -0.13 0.00 0.00 59.36 57.59 3knl h GLU 161 Cb 1.19 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 3knl h GLU 161 CO 0.63 1.23 0.92 -1.14 -0.73 0.00 0.00 179.01 179.92 3knl s GLN 162 N -3.81 3.42 -0.18 1.92 2.00 -1.26 -4.96 119.66 116.78 3knl s GLN 162 Ca -0.11 0.06 -0.29 0.00 -2.00 0.00 0.00 55.36 53.02 3knl s GLN 162 Cb 0.08 -4.06 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 3knl s GLN 162 CO 0.89 -1.75 1.58 0.00 -0.50 0.00 0.00 175.29 175.51 3knl s ALA 163 N 4.94 3.39 0.26 1.58 0.00 -1.26 -4.64 121.76 126.03 3knl s ALA 163 Ca 0.39 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.97 3knl s ALA 163 Cb -0.08 -3.80 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3knl s ALA 163 CO 0.22 -1.75 -0.07 1.03 0.00 0.00 0.00 175.76 175.20 3knl s ARG 164 N 4.40 1.49 0.33 0.00 0.52 -1.26 -4.75 118.95 119.68 3knl s ARG 164 Ca 0.70 -1.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.14 3knl s ARG 164 Cb -0.26 -1.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.08 3knl s ARG 164 CO 0.27 0.05 0.57 -0.08 0.02 0.00 0.00 175.30 176.13 3knl s THR 165 N -3.05 5.05 -0.28 0.02 -1.32 -1.17 -3.24 115.64 111.64 3knl s THR 165 Ca 0.28 -0.14 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 3knl s THR 165 Cb 0.03 -3.80 0.09 0.00 -1.51 0.00 0.00 72.50 67.31 3knl s THR 165 CO 0.11 -0.47 0.07 -0.70 -2.21 0.00 0.00 174.62 171.42 3knl s GLU 166 N -3.96 0.80 0.28 7.08 2.56 -0.52 -4.97 118.70 119.97 3knl s GLU 166 Ca 0.43 -0.96 -0.03 0.00 0.00 0.00 0.00 54.97 54.41 3knl s GLU 166 Cb -0.10 -2.09 -0.05 0.00 2.00 0.00 0.00 34.13 33.89 3knl s GLU 166 CO 0.34 -0.88 0.51 -0.46 -0.56 0.00 0.00 175.26 174.21 3knl s TRP 167 N 1.63 3.48 0.00 5.30 -0.00 -1.26 0.25 118.94 128.34 3knl s TRP 167 Ca 0.06 0.52 0.00 0.00 -0.00 0.00 0.00 56.10 56.69 3knl s TRP 167 Cb -0.17 -2.01 0.00 0.00 -0.00 0.00 0.00 33.47 31.29 3knl s TRP 167 CO -0.20 0.21 0.00 0.00 -0.00 0.00 0.00 176.95 176.96 3knl n ALA 168 N -1.02 0.00 -2.33 5.86 0.00 -1.11 -4.99 120.51 116.93 3knl n ALA 168 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 3knl n ALA 168 Cb 0.54 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 3knl n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knl s ALA 169 N 0.00 1.99 -0.25 0.00 0.00 -1.26 -1.19 121.76 121.05 3knl s ALA 169 Ca 0.00 -1.80 -0.27 0.00 0.00 0.00 0.00 51.96 49.89 3knl s ALA 169 Cb 0.00 1.25 0.15 0.00 0.00 0.00 0.00 23.12 24.52 3knl s ALA 169 CO 0.00 -0.55 1.15 -1.14 0.00 0.00 0.00 175.76 175.21 3knl s GLN 170 N -3.69 0.38 3.09 0.00 0.74 -0.46 -4.99 119.66 114.75 3knl s GLN 170 Ca 0.36 0.26 0.00 0.00 0.05 0.00 0.00 55.36 56.04 3knl s GLN 170 Cb 0.04 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.33 3knl s GLN 170 CO 0.21 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 3knl n GLY 171 N 1.36 -0.32 3.69 2.59 0.00 -1.26 -0.77 105.19 110.48 3knl n GLY 171 Ca -0.09 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3knl n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knl s ARG 172 N 0.00 2.56 -0.31 1.61 0.52 -0.61 -4.86 118.95 117.87 3knl s ARG 172 Ca 0.00 -0.88 0.17 0.00 -0.52 0.00 0.00 55.73 54.50 3knl s ARG 172 Cb 0.00 -2.52 0.46 0.00 0.52 0.00 0.00 34.95 33.40 3knl s ARG 172 CO 0.00 0.52 1.30 0.28 0.02 0.00 0.00 175.30 177.43 3knl n VAL 173 N 0.37 0.62 -1.17 3.52 0.31 -1.26 -3.60 118.33 117.13 3knl n VAL 173 Ca -0.10 -2.01 -0.21 0.00 -0.01 0.00 0.00 64.34 62.01 3knl n VAL 173 Cb 0.53 1.11 -0.10 0.00 -0.91 0.00 0.00 33.84 34.47 3knl n VAL 173 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3knl n PRO 174 N -0.98 0.05 0.00 5.55 -0.04 -1.26 -4.68 135.00 133.64 3knl n PRO 174 Ca -0.04 -1.21 0.02 0.00 -0.04 0.00 0.00 63.50 62.23 3knl n PRO 174 Cb 0.84 -3.03 0.11 0.00 -0.04 0.00 0.00 33.50 31.38 3knl n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3knl n LEU 175 N 14.16 0.00 0.04 1.53 4.32 -1.26 -1.61 117.00 134.18 3knl n LEU 175 Ca 0.36 0.15 0.11 0.00 -0.02 0.00 0.00 56.01 56.61 3knl n LEU 175 Cb 0.45 -0.15 0.03 0.00 -1.62 0.00 0.00 43.42 42.13 3knl n LEU 175 CO 0.74 -0.13 0.01 1.41 -1.22 0.00 0.00 177.39 178.20 3knl n HIS 176 N -1.15 0.36 -3.22 -1.77 8.25 -1.26 -4.92 115.22 111.51 3knl n HIS 176 Ca 0.02 0.10 -0.34 0.00 -0.26 0.00 0.00 57.72 57.25 3knl n HIS 176 Cb 0.02 -0.51 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 3knl n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3knl s THR 177 N -3.22 4.73 -0.11 1.59 2.01 -0.63 -4.99 115.64 115.02 3knl s THR 177 Ca 0.03 0.94 0.15 0.00 0.31 0.00 0.00 61.69 63.13 3knl s THR 177 Cb 0.14 -3.71 -0.23 0.00 0.01 0.00 0.00 72.50 68.71 3knl s THR 177 CO 0.79 0.05 0.48 0.18 -0.69 0.00 0.00 174.62 175.43 3knl n LEU 178 N 0.27 0.55 -1.55 4.42 7.99 -1.26 -4.02 117.00 123.40 3knl n LEU 178 Ca -0.01 0.26 -0.10 0.00 -0.01 0.00 0.00 56.01 56.15 3knl n LEU 178 Cb 0.52 0.26 0.06 0.00 -0.11 0.00 0.00 43.42 44.15 3knl n LEU 178 CO 0.43 0.38 0.88 -2.11 -1.51 0.00 0.00 177.39 175.46 3knl n ARG 179 N -2.90 1.52 -0.13 3.23 1.85 -1.26 -4.15 116.66 114.82 3knl n ARG 179 Ca -0.21 -1.19 -0.27 0.00 -1.00 0.00 0.00 57.85 55.18 3knl n ARG 179 Cb 1.04 -1.46 -0.09 0.00 -1.05 0.00 0.00 32.46 30.90 3knl n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knl n ALA 180 N 0.01 1.14 -2.01 2.89 0.00 -1.26 -3.88 120.51 117.41 3knl n ALA 180 Ca 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3knl n ALA 180 Cb 0.88 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.41 3knl n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3knl n ASN 181 N -4.28 -7.98 -3.60 0.00 5.15 -1.26 -3.66 115.26 99.62 3knl n ASN 181 Ca -0.50 1.40 -0.14 0.00 -0.60 0.00 0.00 54.58 54.74 3knl n ASN 181 Cb 0.84 -4.36 -0.13 0.00 -0.53 0.00 0.00 39.78 35.60 3knl n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3knl s ILE 182 N -0.47 -0.40 0.12 -1.44 1.01 -1.26 -3.42 121.20 115.34 3knl s ILE 182 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 3knl s ILE 182 Cb 0.00 -0.52 -0.10 0.00 0.01 0.00 0.00 42.46 41.85 3knl s ILE 182 CO 0.00 0.02 1.77 -0.62 0.00 0.00 0.00 174.94 176.12 3knl s ASP 183 N 2.40 6.46 -0.15 3.58 3.68 -0.90 -4.73 116.67 127.01 3knl s ASP 183 Ca 0.04 2.70 -0.02 0.00 2.13 0.00 0.00 52.55 57.40 3knl s ASP 183 Cb -0.13 -2.57 -0.02 0.00 -1.45 0.00 0.00 42.92 38.75 3knl s ASP 183 CO -0.10 -0.97 -0.09 -0.47 0.13 0.00 0.00 175.17 173.67 3knl s TYR 184 N 2.53 2.91 0.10 -5.34 5.04 -1.26 -2.37 117.35 118.96 3knl s TYR 184 Ca 0.79 -0.55 0.06 0.00 -2.44 0.00 0.00 57.07 54.93 3knl s TYR 184 Cb -0.45 -1.91 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 3knl s TYR 184 CO 0.35 -0.18 -0.16 0.20 -1.34 0.00 0.00 175.55 174.41 3knl s GLY 185 N 0.47 1.06 -0.14 8.97 0.00 -0.99 -4.41 107.32 112.28 3knl s GLY 185 Ca -0.07 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 3knl s GLY 185 CO 0.04 -1.21 0.31 -0.12 0.00 0.00 0.00 173.10 172.12 3knl s PHE 186 N -1.52 -0.50 0.11 1.90 5.36 -1.26 -1.88 117.98 120.19 3knl s PHE 186 Ca 0.04 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.10 3knl s PHE 186 Cb -0.08 0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.67 3knl s PHE 186 CO 0.03 -0.36 0.02 0.00 -1.46 0.00 0.00 175.22 173.46 3knl n ALA 187 N 5.04 0.13 -3.77 11.12 0.00 -1.22 -4.93 120.51 126.88 3knl n ALA 187 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3knl n ALA 187 Cb 0.51 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3knl n ALA 187 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knl n LEU 188 N 0.00 0.00 -0.01 0.00 7.99 -1.26 -2.76 117.00 120.95 3knl n LEU 188 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.94 3knl n LEU 188 Cb 0.16 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.46 3knl n LEU 188 CO 0.08 0.00 -0.60 0.00 -1.51 0.00 0.00 177.39 175.36 3knl n ALA 189 N -3.00 2.77 -2.75 -1.18 0.00 -1.25 -4.68 120.51 110.42 3knl n ALA 189 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 3knl n ALA 189 Cb 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.90 3knl n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knl n ARG 190 N -3.11 -2.65 -2.26 0.00 1.74 -1.26 -4.56 116.66 104.56 3knl n ARG 190 Ca -0.06 0.34 -0.28 0.00 -0.77 0.00 0.00 57.85 57.08 3knl n ARG 190 Cb 0.54 -4.93 0.03 0.00 -1.02 0.00 0.00 32.46 27.08 3knl n ARG 190 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3knl s THR 191 N -2.50 3.98 0.19 0.55 -4.23 -1.02 -5.01 115.64 107.59 3knl s THR 191 Ca 0.12 0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 3knl s THR 191 Cb -0.07 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.30 3knl s THR 191 CO 0.15 -0.66 1.74 0.71 -0.54 0.00 0.00 174.62 176.02 3knl h THR 192 N -0.23 1.25 -0.08 3.99 1.35 -1.95 -2.93 112.91 114.31 3knl h THR 192 Ca -0.45 -0.80 -0.05 0.00 -0.55 0.00 0.00 66.41 64.56 3knl h THR 192 Cb 1.24 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3knl h THR 192 CO 0.62 0.32 -0.16 0.10 -0.25 0.00 0.00 175.52 176.14 3knl h TYR 193 N 0.98 0.13 0.00 4.73 -0.00 -1.96 -3.48 116.97 117.36 3knl h TYR 193 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.94 3knl h TYR 193 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 36.73 36.93 3knl h TYR 193 CO 0.02 0.29 0.00 0.41 -0.00 0.00 0.00 178.16 178.87 3knl n GLY 194 N -0.92 -0.81 3.38 0.10 0.00 -1.11 -5.13 105.19 100.71 3knl n GLY 194 Ca -0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 3knl n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knl s VAL 195 N -4.00 1.03 0.00 1.61 1.01 -1.26 -2.45 120.40 116.34 3knl s VAL 195 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 59.96 3knl s VAL 195 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3knl s VAL 195 CO 0.00 -0.12 0.00 0.18 0.00 0.00 0.00 175.10 175.16 3knl n LEU 196 N -0.55 0.00 -3.48 3.92 7.99 -1.26 -4.72 117.00 118.89 3knl n LEU 196 Ca -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 55.98 3knl n LEU 196 Cb 0.65 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.93 3knl n LEU 196 CO 0.39 0.00 0.41 -0.83 -1.51 0.00 0.00 177.39 175.86 3knl s GLY 197 N -0.84 -0.51 0.15 -0.72 0.00 -1.26 -3.89 107.32 100.25 3knl s GLY 197 Ca 0.00 2.62 -0.00 0.00 0.00 0.00 0.00 44.72 47.34 3knl s GLY 197 CO 0.00 3.20 0.32 -1.34 0.00 0.00 0.00 173.10 175.28 3knl s VAL 198 N 2.71 5.27 -0.07 1.40 -7.23 -1.11 -0.82 120.40 120.55 3knl s VAL 198 Ca -0.02 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.70 3knl s VAL 198 Cb -0.10 -3.70 0.04 0.00 0.56 0.00 0.00 36.38 33.18 3knl s VAL 198 CO -0.18 -0.06 0.14 -0.54 -0.31 0.00 0.00 175.10 174.15 3knl s LYS 199 N -3.06 0.02 -0.11 4.82 1.02 -0.94 -3.43 119.74 118.06 3knl s LYS 199 Ca 0.37 0.50 -0.01 0.00 0.02 0.00 0.00 55.97 56.85 3knl s LYS 199 Cb -0.12 -0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 3knl s LYS 199 CO 0.28 -0.29 -0.06 0.00 -0.92 0.00 0.00 175.35 174.35 3knl s ALA 200 N 2.13 2.95 -0.27 5.17 0.00 -0.79 -1.25 121.76 129.71 3knl s ALA 200 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3knl s ALA 200 Cb -0.12 -1.34 0.08 0.00 0.00 0.00 0.00 23.12 21.73 3knl s ALA 200 CO -0.05 0.41 -0.00 0.71 0.00 0.00 0.00 175.76 176.83 3knl s TYR 201 N -0.28 2.49 -0.36 0.00 1.51 0.30 -2.34 117.35 118.67 3knl s TYR 201 Ca 0.04 -1.97 -0.01 0.00 -1.01 0.00 0.00 57.07 54.12 3knl s TYR 201 Cb -0.13 -1.85 0.09 0.00 -0.11 0.00 0.00 41.96 39.96 3knl s TYR 201 CO 0.02 -0.82 0.11 0.42 -1.11 0.00 0.00 175.55 174.17 3knl s ILE 202 N 1.36 3.00 0.38 2.71 1.01 -1.00 0.82 121.20 129.47 3knl s ILE 202 Ca 0.01 -1.89 -0.23 0.00 0.00 0.00 0.00 60.65 58.53 3knl s ILE 202 Cb -0.19 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.21 3knl s ILE 202 CO -0.10 -0.48 0.94 0.12 0.00 0.00 0.00 174.94 175.41 3knl s PHE 203 N 1.13 3.48 0.00 3.97 5.36 0.22 -2.12 117.98 130.02 3knl s PHE 203 Ca 0.04 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 3knl s PHE 203 Cb -0.21 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.60 3knl s PHE 203 CO -0.04 0.04 0.00 1.28 -1.46 0.00 0.00 175.22 175.04 3knl n LEU 204 N -0.09 0.47 0.00 6.12 4.77 -1.22 -2.46 117.00 124.59 3knl n LEU 204 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3knl n LEU 204 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3knl n LEU 204 CO 0.40 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3knl n GLY 205 N 2.27 3.22 0.00 -0.72 0.00 -1.24 -4.64 105.19 104.08 3knl n GLY 205 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3knl n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knl n GLU 206 N 0.00 0.00 0.00 1.61 1.02 -1.25 -4.54 120.64 117.47 3knl n GLU 206 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knl n GLU 206 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3knl n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3knl n VAL 207 N 0.00 0.00 0.00 2.62 0.31 -1.25 -4.92 118.33 115.09 3knl n VAL 207 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knl n VAL 207 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knl n VAL 207 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51