#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n LEU 5 N 0.00 -0.88 -0.56 -3.43 -0.00 -1.26 -5.05 117.00 105.82 3knl n LEU 5 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 3knl n LEU 5 Cb 0.00 -0.44 0.19 0.00 -0.00 0.00 0.00 43.42 43.17 3knl n LEU 5 CO 0.00 0.00 0.64 2.29 -0.00 0.00 0.00 177.39 180.32 3knl n LYS 6 N 0.06 2.46 -2.93 1.96 0.00 -1.26 -4.61 118.16 113.84 3knl n LYS 6 Ca 0.00 -2.56 -0.15 0.00 -0.00 0.00 0.00 58.31 55.60 3knl n LYS 6 Cb 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.42 3knl n LYS 6 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3knl n LYS 7 N -0.64 0.76 -2.91 -1.58 4.01 -1.26 -5.10 118.16 111.43 3knl n LYS 7 Ca 0.17 -2.35 0.00 0.00 -0.51 0.00 0.00 58.31 55.62 3knl n LYS 7 Cb 0.71 -1.36 0.00 0.00 -0.51 0.00 0.00 35.03 33.87 3knl n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knl n GLY 8 N 1.53 -0.52 0.00 0.72 0.00 -1.26 -4.99 105.19 100.67 3knl n GLY 8 Ca 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3knl n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knl n VAL 9 N 9.00 0.00 -0.21 1.61 0.31 -1.26 -5.03 118.33 122.75 3knl n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knl n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knl n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3knl n PHE 10 N 0.00 -0.21 -1.74 3.52 -1.74 -1.26 -4.26 117.46 111.76 3knl n PHE 10 Ca 0.00 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.71 3knl n PHE 10 Cb 0.39 -0.27 -0.08 0.00 1.52 0.00 0.00 39.48 41.05 3knl n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3knl s VAL 11 N -0.21 3.18 -0.08 1.97 0.11 -1.26 -4.66 120.40 119.44 3knl s VAL 11 Ca 0.00 -0.21 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 3knl s VAL 11 Cb 0.00 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 3knl s VAL 11 CO 0.00 -0.35 0.33 0.47 -3.33 0.00 0.00 175.10 172.22 3knl n ASP 12 N 17.42 0.14 0.09 3.54 10.43 -1.26 -4.79 116.55 142.13 3knl n ASP 12 Ca 0.44 0.13 0.04 0.00 2.57 0.00 0.00 54.79 57.97 3knl n ASP 12 Cb 0.45 -0.14 0.45 0.00 1.84 0.00 0.00 41.12 43.72 3knl n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3knl h ASP 13 N 1.30 0.29 0.00 -2.24 5.19 -2.01 -2.67 116.42 116.29 3knl h ASP 13 Ca -0.03 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3knl h ASP 13 Cb 0.23 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3knl h ASP 13 CO 0.17 0.30 0.02 0.00 -3.12 0.00 0.00 179.24 176.62 3knl n HIS 14 N -4.41 0.00 -0.08 4.55 1.44 -1.26 -0.98 115.22 114.49 3knl n HIS 14 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 3knl n HIS 14 Cb 0.15 -0.15 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 3knl n HIS 14 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3knl h LEU 15 N 0.00 0.00 -0.38 2.39 -0.00 -1.80 -3.37 115.31 112.15 3knl h LEU 15 Ca 0.00 -0.11 0.08 0.00 -0.00 0.00 0.00 57.88 57.85 3knl h LEU 15 Cb 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.62 3knl h LEU 15 CO 0.00 0.90 -0.33 -0.07 -0.00 0.00 0.00 178.44 178.94 3knl h LEU 16 N -1.00 -1.09 -0.87 1.67 -0.00 -1.20 0.22 115.31 113.04 3knl h LEU 16 Ca -0.07 0.19 0.20 0.00 -0.00 0.00 0.00 57.88 58.20 3knl h LEU 16 Cb 0.66 0.50 -0.16 0.00 -0.00 0.00 0.00 40.66 41.66 3knl h LEU 16 CO -0.04 -0.32 -0.06 -0.08 -0.00 0.00 0.00 178.44 177.93 3knl h GLU 17 N -0.27 0.04 -0.01 1.13 4.81 -1.70 1.17 114.58 119.75 3knl h GLU 17 Ca 0.16 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.15 3knl h GLU 17 Cb 0.54 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.92 3knl h GLU 17 CO -0.52 0.03 -0.97 -0.22 -0.73 0.00 0.00 179.01 176.59 3knl h LYS 18 N 0.04 0.57 0.00 1.92 1.63 -1.29 -2.75 116.57 116.69 3knl h LYS 18 Ca 0.47 -0.60 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3knl h LYS 18 Cb 0.86 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 3knl h LYS 18 CO -0.82 1.22 0.00 0.28 -3.45 0.00 0.00 179.45 176.67 3knl n VAL 19 N -3.81 0.05 0.13 2.00 0.31 0.62 -2.20 118.33 115.44 3knl n VAL 19 Ca -0.09 0.01 0.04 0.00 -0.01 0.00 0.00 64.34 64.30 3knl n VAL 19 Cb 0.85 -0.53 0.07 0.00 -0.91 0.00 0.00 33.84 33.31 3knl n VAL 19 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3knl n LEU 20 N -1.37 2.11 0.00 7.52 4.77 0.38 -3.99 117.00 126.42 3knl n LEU 20 Ca 0.11 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 3knl n LEU 20 Cb 0.27 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3knl n LEU 20 CO 0.24 0.48 0.08 -0.62 -1.33 0.00 0.00 177.39 176.24 3knl n GLU 21 N 0.36 3.32 0.01 3.23 1.02 -1.04 -4.21 120.64 123.32 3knl n GLU 21 Ca 0.06 -0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3knl n GLU 21 Cb 0.28 -0.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.98 3knl n GLU 21 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3knl n LEU 22 N -0.52 0.47 0.01 -4.62 -0.00 -0.93 -3.77 117.00 107.63 3knl n LEU 22 Ca 0.00 -0.15 -0.04 0.00 -0.00 0.00 0.00 56.01 55.82 3knl n LEU 22 Cb 0.02 -0.02 -0.11 0.00 -0.00 0.00 0.00 43.42 43.30 3knl n LEU 22 CO 0.00 0.08 -0.40 -0.55 -0.00 0.00 0.00 177.39 176.52 3knl h ASN 23 N 0.00 0.00 -0.11 1.96 7.08 -1.78 -1.09 115.58 121.64 3knl h ASN 23 Ca 0.00 0.00 -0.48 0.00 -3.08 0.00 0.00 56.30 52.74 3knl h ASN 23 Cb 0.79 0.00 0.05 0.00 -2.08 0.00 0.00 38.32 37.08 3knl h ASN 23 CO 0.00 0.79 1.46 0.00 -2.08 0.00 0.00 177.43 177.60 3knl n ALA 24 N -2.47 1.86 0.00 4.14 0.00 -1.25 0.15 120.51 122.94 3knl n ALA 24 Ca -0.13 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.38 3knl n ALA 24 Cb 0.95 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.80 3knl n ALA 24 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knl n LYS 25 N 7.71 0.00 0.00 0.00 4.76 -1.26 -4.95 118.16 124.41 3knl n LYS 25 Ca 0.47 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 3knl n LYS 25 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 3knl n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knl n GLY 26 N -0.80 0.00 0.00 0.72 0.00 0.12 -4.99 105.19 100.24 3knl n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knl n GLY 26 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3knl n GLU 27 N 1.33 3.11 0.00 1.61 4.07 -0.42 -4.99 120.64 125.35 3knl n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3knl n GLU 27 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3knl n GLU 27 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3knl n LYS 28 N 0.00 0.03 0.00 5.31 4.76 -1.26 -5.04 118.16 121.96 3knl n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3knl n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3knl n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3knl n ARG 29 N 0.00 0.00 -3.18 1.97 -4.01 -1.26 -4.93 116.66 105.25 3knl n ARG 29 Ca 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 56.78 3knl n ARG 29 Cb 0.00 0.00 -0.00 0.00 -3.04 0.00 0.00 32.46 29.42 3knl n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3knl n LEU 30 N -0.79 -0.04 -4.49 2.89 0.00 -1.26 -4.75 117.00 108.57 3knl n LEU 30 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 56.01 55.49 3knl n LEU 30 Cb 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 43.42 43.26 3knl n LEU 30 CO 0.00 0.05 0.69 -0.51 0.00 0.00 0.00 177.39 177.62 3knl s ILE 31 N -3.98 4.44 -0.19 1.96 2.07 -1.26 -4.87 121.20 119.37 3knl s ILE 31 Ca 0.02 -0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 58.95 3knl s ILE 31 Cb -0.01 -4.55 -0.01 0.00 0.13 0.00 0.00 42.46 38.01 3knl s ILE 31 CO 0.07 -1.19 0.84 -0.54 -1.91 0.00 0.00 174.94 172.21 3knl s LYS 32 N 3.80 4.26 0.34 3.50 1.02 -1.26 -0.01 119.74 131.39 3knl s LYS 32 Ca 0.25 1.01 0.06 0.00 0.02 0.00 0.00 55.97 57.31 3knl s LYS 32 Cb -0.15 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 3knl s LYS 32 CO 0.15 -0.39 0.24 -0.08 -0.92 0.00 0.00 175.35 174.34 3knl s THR 33 N 2.39 0.13 0.00 2.17 -1.32 -0.40 -4.94 115.64 113.66 3knl s THR 33 Ca 0.37 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 3knl s THR 33 Cb -0.16 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3knl s THR 33 CO 0.11 0.00 0.46 0.79 -2.21 0.00 0.00 174.62 173.77 3knl n TRP 34 N -0.66 0.00 -0.72 9.09 8.01 -1.26 -3.03 117.44 128.86 3knl n TRP 34 Ca 0.04 -0.09 -0.06 0.00 -1.31 0.00 0.00 57.50 56.09 3knl n TRP 34 Cb 0.63 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.86 3knl n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3knl n SER 35 N -0.09 5.37 0.00 -0.99 3.41 -1.26 -4.38 113.62 115.67 3knl n SER 35 Ca 0.00 -2.47 0.02 0.00 -0.26 0.00 0.00 58.87 56.16 3knl n SER 35 Cb 0.35 -1.24 0.11 0.00 -0.26 0.00 0.00 64.21 63.17 3knl n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3knl n ARG 36 N 1.83 0.11 -0.81 4.33 1.85 -1.26 -0.34 116.66 122.37 3knl n ARG 36 Ca 0.18 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3knl n ARG 36 Cb 0.66 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.87 3knl n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3knl n ARG 37 N -1.02 3.42 -4.42 2.89 -4.01 -1.26 -3.29 116.66 108.97 3knl n ARG 37 Ca 0.03 -3.04 -0.25 0.00 -1.04 0.00 0.00 57.85 53.55 3knl n ARG 37 Cb 0.01 -2.07 -0.09 0.00 -3.04 0.00 0.00 32.46 27.28 3knl n ARG 37 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 3knl s SER 38 N -1.47 3.96 0.04 2.89 1.04 0.54 -4.76 113.70 115.94 3knl s SER 38 Ca 0.50 -1.00 -0.09 0.00 0.48 0.00 0.00 55.95 55.84 3knl s SER 38 Cb 0.40 -0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 3knl s SER 38 CO 0.11 -0.12 0.34 -0.89 0.98 0.00 0.00 173.24 173.66 3knl s THR 39 N -2.51 5.19 0.06 2.02 2.01 -1.26 -2.78 115.64 118.37 3knl s THR 39 Ca 0.32 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.36 3knl s THR 39 Cb -0.02 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3knl s THR 39 CO 0.18 0.34 1.12 -0.63 -0.69 0.00 0.00 174.62 174.93 3knl s ILE 40 N -1.34 4.24 0.11 1.82 1.01 -0.71 -4.83 121.20 121.51 3knl s ILE 40 Ca 0.30 1.66 0.05 0.00 0.00 0.00 0.00 60.65 62.66 3knl s ILE 40 Cb -0.14 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3knl s ILE 40 CO 0.17 0.16 0.03 -0.69 0.00 0.00 0.00 174.94 174.61 3knl s VAL 41 N 0.82 4.12 0.40 2.92 1.01 -1.26 -4.44 120.40 123.96 3knl s VAL 41 Ca 0.55 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.26 3knl s VAL 41 Cb -0.27 -3.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 3knl s VAL 41 CO 0.30 0.05 0.75 -2.65 0.00 0.00 0.00 175.10 173.55 3knl n PRO 42 N 0.32 0.87 -1.43 2.72 -0.02 -1.26 -2.02 135.00 134.18 3knl n PRO 42 Ca -0.10 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 3knl n PRO 42 Cb 0.53 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 3knl n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3knl n GLU 43 N 0.45 -1.56 0.00 -0.52 -0.58 -1.26 -4.75 120.64 112.42 3knl n GLU 43 Ca 0.11 1.02 0.14 0.00 -0.42 0.00 0.00 57.16 58.01 3knl n GLU 43 Cb 0.38 -5.41 0.48 0.00 -0.57 0.00 0.00 31.44 26.32 3knl n GLU 43 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3knl n MET 44 N -1.50 1.56 -0.43 3.49 2.81 -0.86 -4.91 117.12 117.28 3knl n MET 44 Ca -0.15 -0.93 -0.23 0.00 -1.81 0.00 0.00 57.70 54.58 3knl n MET 44 Cb 0.62 -1.48 0.20 0.00 -0.71 0.00 0.00 33.22 31.85 3knl n MET 44 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3knl n VAL 45 N 0.09 0.00 0.00 2.03 0.24 -1.26 -3.23 118.33 116.20 3knl n VAL 45 Ca 0.18 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3knl n VAL 45 Cb 0.36 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 3knl n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knl n GLY 46 N 2.17 1.03 0.00 7.63 0.00 -1.07 -4.91 105.19 110.05 3knl n GLY 46 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3knl n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3knl n HIS 47 N 0.00 -1.74 -2.70 1.61 8.25 -1.20 -4.98 115.22 114.46 3knl n HIS 47 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3knl n HIS 47 Cb 0.00 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.19 3knl n HIS 47 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3knl n THR 48 N -2.01 0.00 -1.98 1.59 -2.24 -1.18 -4.38 114.28 104.09 3knl n THR 48 Ca 0.00 -1.09 -0.40 0.00 -2.27 0.00 0.00 64.05 60.29 3knl n THR 48 Cb 0.00 1.29 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3knl n THR 48 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3knl s ILE 49 N 0.31 2.44 -0.56 2.28 1.09 -1.13 -4.04 121.20 121.59 3knl s ILE 49 Ca 0.26 0.41 -0.16 0.00 -1.10 0.00 0.00 60.65 60.06 3knl s ILE 49 Cb 0.25 -3.25 0.13 0.00 -1.06 0.00 0.00 42.46 38.54 3knl s ILE 49 CO -0.15 0.07 0.54 0.00 -0.10 0.00 0.00 174.94 175.30 3knl s ALA 50 N -1.21 3.65 0.14 9.38 0.00 0.99 -1.30 121.76 133.40 3knl s ALA 50 Ca 0.56 -2.55 -0.21 0.00 0.00 0.00 0.00 51.96 49.75 3knl s ALA 50 Cb -0.41 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 3knl s ALA 50 CO 0.53 -2.07 0.66 0.08 0.00 0.00 0.00 175.76 174.96 3knl s VAL 51 N 1.63 4.59 0.05 0.00 1.01 -1.08 -1.28 120.40 125.32 3knl s VAL 51 Ca 0.05 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 3knl s VAL 51 Cb -0.28 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3knl s VAL 51 CO 0.03 0.46 0.41 -0.47 0.00 0.00 0.00 175.10 175.53 3knl s TYR 52 N -1.22 3.65 -0.04 5.22 5.04 -1.17 -0.24 117.35 128.58 3knl s TYR 52 Ca 0.34 0.89 0.06 0.00 -2.44 0.00 0.00 57.07 55.92 3knl s TYR 52 Cb -0.20 -2.22 0.09 0.00 0.35 0.00 0.00 41.96 39.98 3knl s TYR 52 CO 0.22 0.57 1.02 0.27 -1.34 0.00 0.00 175.55 176.29 3knl n ASN 53 N 1.31 1.95 0.00 4.32 6.94 -1.00 -4.83 115.26 123.96 3knl n ASN 53 Ca -0.11 -2.29 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 3knl n ASN 53 Cb 0.52 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 3knl n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3knl n GLY 54 N -0.76 0.57 0.33 4.83 0.00 -1.26 -4.75 105.19 104.16 3knl n GLY 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3knl n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knl n LYS 55 N -1.37 0.00 -3.85 1.61 4.81 -1.26 -5.15 118.16 112.95 3knl n LYS 55 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3knl n LYS 55 Cb 0.00 -0.37 -0.07 0.00 0.02 0.00 0.00 35.03 34.61 3knl n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3knl s GLN 56 N -1.16 1.03 -0.95 1.64 -2.07 -1.26 -5.10 119.66 111.78 3knl s GLN 56 Ca 0.00 -1.00 -0.15 0.00 -1.82 0.00 0.00 55.36 52.39 3knl s GLN 56 Cb 0.00 0.39 0.19 0.00 -1.09 0.00 0.00 33.01 32.50 3knl s GLN 56 CO 0.00 -0.37 1.02 -1.01 -1.32 0.00 0.00 175.29 173.61 3knl s HIS 57 N -3.89 3.58 -0.29 9.60 3.76 -1.25 -2.36 115.29 124.43 3knl s HIS 57 Ca 0.09 -1.89 -0.29 0.00 -0.15 0.00 0.00 55.06 52.82 3knl s HIS 57 Cb 0.03 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 29.67 3knl s HIS 57 CO -0.07 -1.21 1.44 0.54 -0.85 0.00 0.00 174.74 174.60 3knl s VAL 58 N 1.03 3.93 0.09 -0.90 0.11 0.66 -4.58 120.40 120.74 3knl s VAL 58 Ca 0.28 1.04 -0.31 0.00 -2.93 0.00 0.00 61.98 60.06 3knl s VAL 58 Cb -0.07 -3.99 -0.09 0.00 -1.53 0.00 0.00 36.38 30.70 3knl s VAL 58 CO -0.08 -0.44 1.65 -2.16 -3.33 0.00 0.00 175.10 170.74 3knl s PRO 59 N 4.49 4.20 -0.14 1.54 0.04 -1.26 -2.64 135.00 141.22 3knl s PRO 59 Ca 0.63 2.36 0.02 0.00 0.04 0.00 0.00 61.00 64.05 3knl s PRO 59 Cb -0.19 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.84 3knl s PRO 59 CO 0.27 -0.72 -0.20 0.54 0.04 0.00 0.00 177.00 176.92 3knl s VAL 60 N 2.38 1.96 0.00 -0.36 0.11 -0.42 -4.99 120.40 119.09 3knl s VAL 60 Ca 0.74 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 3knl s VAL 60 Cb -0.41 -1.75 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 3knl s VAL 60 CO 0.32 0.53 0.00 0.00 -3.33 0.00 0.00 175.10 172.62 3knl n TYR 61 N 4.20 0.00 0.00 1.54 9.36 -1.26 -2.84 117.16 128.17 3knl n TYR 61 Ca -0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.02 3knl n TYR 61 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 3knl n TYR 61 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 3knl n ILE 62 N 0.00 0.00 -4.40 2.97 0.13 -1.26 -3.09 119.36 113.70 3knl n ILE 62 Ca 0.00 0.00 -0.20 0.00 -1.10 0.00 0.00 62.75 61.45 3knl n ILE 62 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 38.70 3knl n ILE 62 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3knl s THR 63 N 0.00 1.27 0.53 9.51 -1.32 -1.26 -2.60 115.64 121.77 3knl s THR 63 Ca 0.00 -2.05 0.06 0.00 -1.21 0.00 0.00 61.69 58.49 3knl s THR 63 Cb 0.00 -2.53 0.06 0.00 -1.51 0.00 0.00 72.50 68.52 3knl s THR 63 CO 0.00 -0.21 1.12 1.05 -2.21 0.00 0.00 174.62 174.37 3knl h GLU 64 N 2.29 0.00 0.22 7.08 4.11 -1.99 -0.42 114.58 125.88 3knl h GLU 64 Ca -0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.02 3knl h GLU 64 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3knl h GLU 64 CO 0.67 0.00 -0.11 -0.91 0.07 0.00 0.00 179.01 178.73 3knl h ASN 65 N 0.00 -0.25 -0.04 3.06 4.21 -2.04 -3.38 115.58 117.14 3knl h ASN 65 Ca 0.00 0.01 -0.56 0.00 1.21 0.00 0.00 56.30 56.96 3knl h ASN 65 Cb 1.53 0.07 0.09 0.00 -1.12 0.00 0.00 38.32 38.89 3knl h ASN 65 CO 0.00 0.00 1.62 1.15 -1.29 0.00 0.00 177.43 178.91 3knl n MET 66 N -3.84 0.69 -0.01 0.81 0.00 -0.17 -4.47 117.12 110.13 3knl n MET 66 Ca -0.04 -1.47 -0.02 0.00 0.00 0.00 0.00 57.70 56.17 3knl n MET 66 Cb 0.12 -2.84 -0.01 0.00 0.00 0.00 0.00 33.22 30.49 3knl n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3knl n VAL 67 N 6.81 0.67 -0.00 3.17 0.31 -1.26 -4.66 118.33 123.37 3knl n VAL 67 Ca 0.47 0.27 -0.09 0.00 -0.01 0.00 0.00 64.34 64.98 3knl n VAL 67 Cb 0.42 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 3knl n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3knl h GLY 68 N -0.26 -0.06 -1.42 2.92 0.00 -1.78 -3.28 103.07 99.19 3knl h GLY 68 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 47.33 47.19 3knl h GLY 68 CO 0.00 -0.14 -1.16 1.42 0.00 0.00 0.00 176.54 176.66 3knl n HIS 69 N -5.28 -1.61 -4.00 5.60 8.25 -1.26 -4.31 115.22 112.60 3knl n HIS 69 Ca -0.03 0.37 -0.22 0.00 -0.26 0.00 0.00 57.72 57.59 3knl n HIS 69 Cb 0.20 -1.42 -0.04 0.00 1.12 0.00 0.00 29.99 29.85 3knl n HIS 69 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3knl s LYS 70 N -2.71 2.91 -0.05 -0.41 -0.14 -1.26 -1.73 119.74 116.35 3knl s LYS 70 Ca 0.33 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 3knl s LYS 70 Cb -0.01 -2.57 0.05 0.00 -1.68 0.00 0.00 37.83 33.62 3knl s LYS 70 CO 0.44 0.31 1.52 1.28 -0.76 0.00 0.00 175.35 178.13 3knl n LEU 71 N -1.26 4.37 0.00 3.17 4.77 -1.12 -2.46 117.00 124.48 3knl n LEU 71 Ca -0.06 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 3knl n LEU 71 Cb 0.58 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3knl n LEU 71 CO 0.43 0.78 -0.31 0.61 -1.33 0.00 0.00 177.39 177.57 3knl n GLY 72 N 0.81 0.00 0.00 -0.72 0.00 -1.21 -4.41 105.19 99.66 3knl n GLY 72 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 3knl n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knl n GLU 73 N -0.93 0.44 -0.19 1.61 1.02 -1.03 -3.45 120.64 118.11 3knl n GLU 73 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3knl n GLU 73 Cb 0.00 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.08 3knl n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3knl n PHE 74 N -1.28 0.34 -3.12 -0.32 3.72 -1.26 -4.77 117.46 110.77 3knl n PHE 74 Ca 0.14 -0.85 -0.19 0.00 -0.05 0.00 0.00 57.45 56.51 3knl n PHE 74 Cb 0.23 -0.18 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 3knl n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3knl n ALA 75 N -0.84 1.16 -1.44 4.37 0.00 -1.22 -4.90 120.51 117.63 3knl n ALA 75 Ca 0.15 -2.51 -0.41 0.00 0.00 0.00 0.00 53.44 50.67 3knl n ALA 75 Cb 0.65 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.10 3knl n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3knl n PRO 76 N 2.31 0.51 0.00 0.00 -0.04 -1.26 -4.77 135.00 131.75 3knl n PRO 76 Ca 0.22 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 3knl n PRO 76 Cb 0.53 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3knl n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3knl n THR 77 N -1.03 0.00 -4.33 0.52 -2.24 -1.26 -4.89 114.28 101.06 3knl n THR 77 Ca 0.11 -0.01 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 3knl n THR 77 Cb 0.41 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 3knl n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3knl s ARG 78 N -2.98 1.27 0.05 -0.78 0.52 -1.26 -5.00 118.95 110.77 3knl s ARG 78 Ca 0.09 -1.53 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 3knl s ARG 78 Cb 0.16 -1.07 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 3knl s ARG 78 CO 0.81 0.18 0.13 0.99 0.02 0.00 0.00 175.30 177.43 3knl s THR 79 N -2.84 4.92 0.00 0.02 2.01 -1.26 -4.76 115.64 113.73 3knl s THR 79 Ca 0.20 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3knl s THR 79 Cb -0.01 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.15 3knl s THR 79 CO 0.06 0.20 0.00 0.00 -0.69 0.00 0.00 174.62 174.19 3knl n TYR 80 N 0.63 0.00 -2.63 4.92 9.36 -1.26 -5.04 117.16 123.14 3knl n TYR 80 Ca -0.09 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.70 3knl n TYR 80 Cb 0.52 -1.38 -0.02 0.00 -0.63 0.00 0.00 39.34 37.82 3knl n TYR 80 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3knl s ARG 81 N -2.61 3.68 0.00 2.98 1.81 -1.26 -5.28 118.95 118.27 3knl s ARG 81 Ca 0.00 0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.49 3knl s ARG 81 Cb 0.00 -3.92 0.00 0.00 -0.45 0.00 0.00 34.95 30.58 3knl s ARG 81 CO 0.00 -1.39 0.00 0.41 -0.68 0.00 0.00 175.30 173.64