#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj s VAL 2 N 0.00 3.16 0.44 3.17 0.11 -1.26 -3.26 120.40 122.76 3knj s VAL 2 Ca 0.00 0.21 0.07 0.00 -2.93 0.00 0.00 61.98 59.33 3knj s VAL 2 Cb 0.00 -3.14 -0.03 0.00 -1.53 0.00 0.00 36.38 31.69 3knj s VAL 2 CO 0.00 -0.02 0.28 -0.54 -3.33 0.00 0.00 175.10 171.49 3knj s LYS 3 N 4.27 2.33 -0.13 1.54 1.02 0.17 -4.15 119.74 124.79 3knj s LYS 3 Ca 0.84 -1.79 -0.00 0.00 0.02 0.00 0.00 55.97 55.04 3knj s LYS 3 Cb -0.40 -2.12 0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3knj s LYS 3 CO 0.38 -0.23 -0.09 0.42 -0.92 0.00 0.00 175.35 174.91 3knj s ILE 4 N -2.60 1.16 0.00 2.17 1.01 -1.24 -1.51 121.20 120.19 3knj s ILE 4 Ca 0.41 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3knj s ILE 4 Cb 0.01 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3knj s ILE 4 CO 0.24 0.35 0.00 -2.11 0.00 0.00 0.00 174.94 173.42 3knj n ARG 5 N 4.89 0.00 -3.94 2.79 1.85 0.35 -2.76 116.66 119.85 3knj n ARG 5 Ca -0.13 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.41 3knj n ARG 5 Cb 0.50 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.86 3knj n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3knj s LEU 6 N 0.00 4.27 -0.38 2.89 1.02 -1.26 0.10 118.68 125.32 3knj s LEU 6 Ca 0.00 0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.39 3knj s LEU 6 Cb 0.00 -2.88 0.16 0.00 0.02 0.00 0.00 46.19 43.49 3knj s LEU 6 CO 0.00 0.15 0.32 0.00 0.02 0.00 0.00 176.35 176.85 3knj s ALA 7 N -1.53 0.47 0.68 4.21 0.00 -1.24 -4.91 121.76 119.45 3knj s ALA 7 Ca 0.34 -1.68 -0.17 0.00 0.00 0.00 0.00 51.96 50.45 3knj s ALA 7 Cb -0.13 -1.80 -0.13 0.00 0.00 0.00 0.00 23.12 21.07 3knj s ALA 7 CO 0.27 -2.09 -0.16 -2.13 0.00 0.00 0.00 175.76 171.65 3knj n ARG 8 N 3.72 0.07 0.00 0.00 0.63 -1.26 -3.56 116.66 116.26 3knj n ARG 8 Ca 0.17 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3knj n ARG 8 Cb 0.43 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.16 3knj n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3knj n PHE 9 N -1.95 0.00 -4.57 -0.14 3.72 -1.21 -4.87 117.46 108.43 3knj n PHE 9 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3knj n PHE 9 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3knj n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3knj n GLY 10 N 0.00 0.09 0.00 1.37 0.00 -1.26 -4.50 105.19 100.89 3knj n GLY 10 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3knj n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3knj n SER 11 N -1.57 0.00 -4.60 1.61 7.64 -1.22 -5.04 113.62 110.45 3knj n SER 11 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3knj n SER 11 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 3knj n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3knj s LYS 12 N 4.75 2.69 -2.14 1.43 2.36 -1.26 -4.37 119.74 123.19 3knj s LYS 12 Ca 0.00 -0.61 0.00 0.00 -2.55 0.00 0.00 55.97 52.81 3knj s LYS 12 Cb 0.00 -2.57 0.00 0.00 -1.05 0.00 0.00 37.83 34.21 3knj s LYS 12 CO 0.00 0.64 0.00 0.72 1.55 0.00 0.00 175.35 178.26 3knj n HIS 13 N 1.90 -0.01 -3.12 4.03 8.25 -1.26 -4.86 115.22 120.15 3knj n HIS 13 Ca -0.17 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.09 3knj n HIS 13 Cb 0.53 -3.40 -0.04 0.00 1.12 0.00 0.00 29.99 28.20 3knj n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3knj n ASN 14 N -1.27 -0.19 -4.25 0.41 5.15 -1.26 -5.13 115.26 108.72 3knj n ASN 14 Ca -0.20 -2.86 -0.34 0.00 -0.60 0.00 0.00 54.58 50.58 3knj n ASN 14 Cb 0.67 -0.24 0.11 0.00 -0.53 0.00 0.00 39.78 39.79 3knj n ASN 14 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3knj n PRO 15 N 1.21 -0.65 0.00 1.20 -0.02 -1.26 -3.37 135.00 132.11 3knj n PRO 15 Ca 0.20 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3knj n PRO 15 Cb 0.57 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3knj n PRO 15 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3knj n HIS 16 N -3.69 0.00 -2.36 6.00 8.25 -1.26 -4.80 115.22 117.37 3knj n HIS 16 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.13 3knj n HIS 16 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 3knj n HIS 16 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3knj s TYR 17 N 0.00 2.85 -0.37 4.41 1.51 -0.06 -3.34 117.35 122.35 3knj s TYR 17 Ca 0.00 1.56 0.03 0.00 -1.01 0.00 0.00 57.07 57.65 3knj s TYR 17 Cb 0.00 -3.24 0.11 0.00 -0.11 0.00 0.00 41.96 38.72 3knj s TYR 17 CO 0.00 -1.29 0.09 0.50 -1.11 0.00 0.00 175.55 173.75 3knj s ARG 18 N -3.08 1.46 0.17 -0.62 3.52 -1.23 0.13 118.95 119.29 3knj s ARG 18 Ca 0.68 -1.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.08 3knj s ARG 18 Cb -0.23 -3.05 -0.17 0.00 -1.56 0.00 0.00 34.95 29.94 3knj s ARG 18 CO 0.27 -0.98 0.60 -0.89 -0.81 0.00 0.00 175.30 173.49 3knj n ILE 19 N 4.12 1.66 -3.70 4.11 2.08 -0.35 -3.68 119.36 123.60 3knj n ILE 19 Ca 0.04 -0.42 -0.09 0.00 0.56 0.00 0.00 62.75 62.84 3knj n ILE 19 Cb 0.40 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.27 3knj n ILE 19 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3knj s VAL 20 N -0.83 0.00 -0.24 1.39 0.11 0.28 -3.23 120.40 117.89 3knj s VAL 20 Ca 0.67 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 3knj s VAL 20 Cb -0.97 -1.64 0.06 0.00 -1.53 0.00 0.00 36.38 32.30 3knj s VAL 20 CO 0.55 -0.01 -0.03 0.54 -3.33 0.00 0.00 175.10 172.83 3knj s VAL 21 N -3.86 1.39 0.32 2.04 0.11 0.34 0.13 120.40 120.86 3knj s VAL 21 Ca 0.08 -1.18 0.01 0.00 -2.93 0.00 0.00 61.98 57.96 3knj s VAL 21 Cb -0.04 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.08 3knj s VAL 21 CO -0.00 -0.16 0.37 0.28 -3.33 0.00 0.00 175.10 172.25 3knj s THR 22 N 1.45 0.00 0.03 5.04 -1.32 -0.57 -1.18 115.64 119.09 3knj s THR 22 Ca -0.04 -1.78 -0.27 0.00 -1.21 0.00 0.00 61.69 58.39 3knj s THR 22 Cb -0.19 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 68.20 3knj s THR 22 CO -0.07 0.00 0.85 -0.62 -2.21 0.00 0.00 174.62 172.56 3knj s ASP 23 N -3.27 7.27 0.31 8.08 -1.08 -1.26 -0.66 116.67 126.06 3knj s ASP 23 Ca 0.35 1.53 0.07 0.00 -0.52 0.00 0.00 52.55 53.98 3knj s ASP 23 Cb 0.01 -2.51 0.84 0.00 -1.46 0.00 0.00 42.92 39.80 3knj s ASP 23 CO 0.22 -0.09 1.69 0.00 0.52 0.00 0.00 175.17 177.51 3knj h ALA 24 N 6.11 1.61 0.00 3.66 0.00 -1.90 0.70 119.26 129.44 3knj h ALA 24 Ca -0.42 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3knj h ALA 24 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3knj h ALA 24 CO 0.73 -0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.76 3knj h ARG 25 N 0.41 0.00 -6.47 0.00 3.08 -1.93 -3.41 114.38 106.06 3knj h ARG 25 Ca 0.62 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.14 3knj h ARG 25 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 3knj h ARG 25 CO -0.54 0.00 0.24 1.03 -1.07 0.00 0.00 179.97 179.63 3knj s ARG 26 N -3.60 4.61 0.94 0.04 0.52 0.24 -5.03 118.95 116.67 3knj s ARG 26 Ca -0.02 1.25 -0.14 0.00 -0.52 0.00 0.00 55.73 56.29 3knj s ARG 26 Cb 0.06 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.20 3knj s ARG 26 CO 0.20 0.35 0.20 0.36 0.02 0.00 0.00 175.30 176.43 3knj n LYS 27 N 2.40 -0.20 0.00 3.54 2.85 -1.26 -4.88 118.16 120.61 3knj n LYS 27 Ca -0.02 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3knj n LYS 27 Cb 0.49 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 3knj n LYS 27 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3knj n ARG 28 N -0.90 0.00 0.00 -1.58 0.63 -1.26 -2.57 116.66 110.98 3knj n ARG 28 Ca 0.05 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 3knj n ARG 28 Cb 0.54 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.17 3knj n ARG 28 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3knj n ASP 29 N -1.56 0.51 -3.37 6.15 10.43 -1.26 -4.79 116.55 122.67 3knj n ASP 29 Ca 0.00 -1.46 0.00 0.00 2.57 0.00 0.00 54.79 55.90 3knj n ASP 29 Cb 0.00 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 42.70 3knj n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3knj n GLY 30 N 0.16 -2.31 0.73 0.44 0.00 -1.06 -5.03 105.19 98.13 3knj n GLY 30 Ca 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 46.02 44.57 3knj n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knj n LYS 31 N -0.29 -1.89 -3.65 1.61 4.81 -1.26 -5.03 118.16 112.47 3knj n LYS 31 Ca 0.00 -0.36 -0.02 0.00 -0.87 0.00 0.00 58.31 57.07 3knj n LYS 31 Cb 0.00 -0.37 -0.07 0.00 0.02 0.00 0.00 35.03 34.61 3knj n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 3knj s TYR 32 N -1.36 -0.06 0.00 5.64 1.13 -1.26 -4.91 117.35 116.53 3knj s TYR 32 Ca 0.15 0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 3knj s TYR 32 Cb -0.02 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 3knj s TYR 32 CO 0.12 -0.03 0.94 -0.89 -2.51 0.00 0.00 175.55 173.18 3knj n ILE 33 N 1.88 0.00 -3.96 -3.49 2.08 -0.32 -4.82 119.36 110.73 3knj n ILE 33 Ca -0.12 1.44 -0.10 0.00 0.56 0.00 0.00 62.75 64.54 3knj n ILE 33 Cb 0.57 -2.17 -0.12 0.00 -0.75 0.00 0.00 39.64 37.17 3knj n ILE 33 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3knj s GLU 34 N -2.75 0.26 0.21 0.38 2.12 -0.96 -5.01 118.70 112.95 3knj s GLU 34 Ca 0.00 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 54.72 3knj s GLU 34 Cb 0.00 0.09 -0.07 0.00 0.26 0.00 0.00 34.13 34.41 3knj s GLU 34 CO 0.00 -0.04 0.58 0.21 -0.54 0.00 0.00 175.26 175.46 3knj s LYS 35 N -1.19 3.89 0.00 4.30 2.20 -1.26 -0.51 119.74 127.18 3knj s LYS 35 Ca -0.13 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 3knj s LYS 35 Cb -0.08 -2.72 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 3knj s LYS 35 CO -0.01 0.35 0.91 0.44 -0.36 0.00 0.00 175.35 176.68 3knj n ILE 36 N 0.15 0.00 0.00 5.43 -5.35 -1.20 -4.94 119.36 113.45 3knj n ILE 36 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3knj n ILE 36 Cb 0.52 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 3knj n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knj n GLY 37 N 0.00 3.57 3.74 3.28 0.00 -1.26 -1.56 105.19 112.97 3knj n GLY 37 Ca 0.00 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 3knj n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3knj s TYR 38 N -2.00 1.82 -0.27 1.61 -0.85 -0.69 -1.21 117.35 115.76 3knj s TYR 38 Ca 0.00 -1.01 -0.24 0.00 -0.52 0.00 0.00 57.07 55.30 3knj s TYR 38 Cb 0.00 -1.55 0.07 0.00 0.38 0.00 0.00 41.96 40.86 3knj s TYR 38 CO 0.00 0.15 0.72 -0.47 -1.52 0.00 0.00 175.55 174.43 3knj s TYR 39 N -2.92 -0.83 -0.35 -3.49 5.04 0.35 -3.19 117.35 111.96 3knj s TYR 39 Ca 0.06 1.96 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 3knj s TYR 39 Cb 0.01 0.32 0.11 0.00 0.35 0.00 0.00 41.96 42.75 3knj s TYR 39 CO 0.04 -0.40 0.13 0.34 -1.34 0.00 0.00 175.55 174.32 3knj s ASP 40 N 0.54 3.98 0.00 4.32 3.68 0.69 -0.88 116.67 129.01 3knj s ASP 40 Ca -0.01 -1.96 0.01 0.00 2.13 0.00 0.00 52.55 52.71 3knj s ASP 40 Cb -0.05 -0.98 0.04 0.00 -1.45 0.00 0.00 42.92 40.48 3knj s ASP 40 CO -0.02 -0.37 0.32 -0.81 0.13 0.00 0.00 175.17 174.43 3knj n PRO 41 N 4.43 0.04 -0.02 4.34 -0.04 -1.26 0.14 135.00 142.62 3knj n PRO 41 Ca 0.02 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 3knj n PRO 41 Cb 0.40 -1.27 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 3knj n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knj n ARG 42 N -0.77 1.05 -3.61 0.54 1.74 -1.26 -5.00 116.66 109.36 3knj n ARG 42 Ca 0.00 -0.06 -0.21 0.00 -0.77 0.00 0.00 57.85 56.81 3knj n ARG 42 Cb 0.00 -1.25 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 3knj n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knj n LYS 43 N -2.03 -6.32 0.00 5.56 4.01 0.12 -4.82 118.16 114.67 3knj n LYS 43 Ca -0.07 0.75 0.00 0.00 -0.51 0.00 0.00 58.31 58.48 3knj n LYS 43 Cb 0.46 -5.64 0.00 0.00 -0.51 0.00 0.00 35.03 29.34 3knj n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3knj n THR 44 N -4.44 0.66 -3.64 -0.18 -2.24 -1.26 -4.62 114.28 98.56 3knj n THR 44 Ca -0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 3knj n THR 44 Cb 0.63 -0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 3knj n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3knj s THR 45 N -0.05 0.00 -1.24 4.28 -1.32 -1.26 -4.98 115.64 111.06 3knj s THR 45 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3knj s THR 45 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3knj s THR 45 CO 0.00 0.00 0.22 -2.65 -2.21 0.00 0.00 174.62 169.98 3knj n PRO 46 N 2.56 0.00 -0.80 7.08 -0.02 -1.26 -0.93 135.00 141.63 3knj n PRO 46 Ca -0.14 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.36 3knj n PRO 46 Cb 0.57 -1.35 0.18 0.00 -0.02 0.00 0.00 33.50 32.88 3knj n PRO 46 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knj n ASP 47 N -0.66 2.05 0.32 2.55 8.00 -1.26 -4.89 116.55 122.66 3knj n ASP 47 Ca 0.00 -3.82 0.18 0.00 0.71 0.00 0.00 54.79 51.85 3knj n ASP 47 Cb 0.00 -0.50 0.95 0.00 -0.02 0.00 0.00 41.12 41.54 3knj n ASP 47 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 3knj h TRP 48 N 1.14 0.00 -1.76 1.24 5.08 -1.36 -3.40 115.95 116.88 3knj h TRP 48 Ca 0.03 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.84 3knj h TRP 48 Cb 1.09 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 26.96 3knj h TRP 48 CO 0.75 0.00 -0.51 -1.17 -1.28 0.00 0.00 178.44 176.23 3knj s LEU 49 N -5.79 -0.74 -0.22 0.11 2.96 -1.26 -0.22 118.68 113.52 3knj s LEU 49 Ca -0.04 -0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 3knj s LEU 49 Cb 0.10 1.13 -0.04 0.00 0.50 0.00 0.00 46.19 47.88 3knj s LEU 49 CO 0.32 -0.33 0.11 -0.75 -1.32 0.00 0.00 176.35 174.38 3knj s LYS 50 N 2.55 4.00 -0.16 1.98 2.36 -1.19 -4.97 119.74 124.30 3knj s LYS 50 Ca 0.11 -0.32 0.00 0.00 -2.55 0.00 0.00 55.97 53.22 3knj s LYS 50 Cb -0.14 -3.39 0.03 0.00 -1.05 0.00 0.00 37.83 33.28 3knj s LYS 50 CO -0.25 0.12 -0.13 0.08 1.55 0.00 0.00 175.35 176.72 3knj s VAL 51 N 0.84 1.59 -1.35 4.02 1.01 -1.26 -1.70 120.40 123.55 3knj s VAL 51 Ca 0.06 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 3knj s VAL 51 Cb -0.13 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.78 3knj s VAL 51 CO 0.02 0.38 1.92 -0.67 0.00 0.00 0.00 175.10 176.75 3knj n ASP 52 N 4.75 4.56 -0.26 3.32 4.64 -0.60 -4.81 116.55 128.14 3knj n ASP 52 Ca -0.16 -2.91 0.15 0.00 -1.38 0.00 0.00 54.79 50.49 3knj n ASP 52 Cb 0.49 -1.67 0.30 0.00 -1.04 0.00 0.00 41.12 39.19 3knj n ASP 52 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 3knj n VAL 53 N 5.45 -0.33 0.00 5.18 0.24 -1.26 -2.33 118.33 125.28 3knj n VAL 53 Ca 0.48 1.67 0.00 0.00 -2.04 0.00 0.00 64.34 64.46 3knj n VAL 53 Cb 0.42 -2.52 0.00 0.00 -1.47 0.00 0.00 33.84 30.27 3knj n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3knj n GLU 54 N -5.00 0.00 -0.25 7.34 -0.58 -1.26 -2.57 120.64 118.32 3knj n GLU 54 Ca 0.22 0.46 0.03 0.00 -0.42 0.00 0.00 57.16 57.45 3knj n GLU 54 Cb 0.72 -1.16 0.12 0.00 -0.57 0.00 0.00 31.44 30.54 3knj n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knj h ARG 55 N 0.00 0.04 -1.53 3.49 2.47 -1.87 0.48 114.38 117.46 3knj h ARG 55 Ca 0.00 -0.00 0.45 0.00 -1.26 0.00 0.00 59.98 59.16 3knj h ARG 55 Cb 0.00 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.25 3knj h ARG 55 CO 0.00 0.03 1.10 0.00 0.56 0.00 0.00 179.97 181.65 3knj h ALA 56 N 1.72 3.41 0.38 0.04 0.00 -1.41 0.12 119.26 123.52 3knj h ALA 56 Ca 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3knj h ALA 56 Cb 0.62 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3knj h ALA 56 CO -0.71 -1.86 -0.18 0.00 0.00 0.00 0.00 179.25 176.49 3knj h ARG 57 N 0.01 -0.50 0.00 0.00 2.47 0.25 -3.26 114.38 113.36 3knj h ARG 57 Ca 0.74 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.49 3knj h ARG 57 Cb 2.91 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 31.35 3knj h ARG 57 CO -0.03 -0.33 0.00 0.98 0.56 0.00 0.00 179.97 181.15 3knj n TYR 58 N -3.71 0.00 0.00 3.04 4.19 0.40 0.59 117.16 121.67 3knj n TYR 58 Ca -0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.15 3knj n TYR 58 Cb 0.20 -0.41 0.00 0.00 0.49 0.00 0.00 39.34 39.62 3knj n TYR 58 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 3knj n TRP 59 N -2.70 0.00 -0.10 2.98 7.02 -1.08 0.86 117.44 124.42 3knj n TRP 59 Ca 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.30 3knj n TRP 59 Cb 0.00 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.81 3knj n TRP 59 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3knj n LEU 60 N -0.62 2.16 0.33 -0.99 4.77 0.20 -3.42 117.00 119.42 3knj n LEU 60 Ca 0.00 0.08 0.21 0.00 -0.03 0.00 0.00 56.01 56.27 3knj n LEU 60 Cb 0.00 -0.63 1.11 0.00 -2.33 0.00 0.00 43.42 41.56 3knj n LEU 60 CO 0.00 0.61 1.15 0.77 -1.33 0.00 0.00 177.39 178.59 3knj h SER 61 N -0.39 0.00 -0.57 -1.43 4.64 0.95 0.79 113.55 117.54 3knj h SER 61 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3knj h SER 61 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 3knj h SER 61 CO -0.20 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.09 3knj n VAL 62 N -2.99 1.72 -1.85 0.95 0.24 -1.00 -5.04 118.33 110.36 3knj n VAL 62 Ca -0.03 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 3knj n VAL 62 Cb 0.13 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3knj n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knj n GLY 63 N 0.88 -4.74 2.70 7.63 0.00 0.27 -5.06 105.19 106.87 3knj n GLY 63 Ca 0.23 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 3knj n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj n ALA 64 N 1.16 -1.13 -1.60 4.61 0.00 -1.22 -4.73 120.51 117.59 3knj n ALA 64 Ca 0.00 -1.06 -0.61 0.00 0.00 0.00 0.00 53.44 51.77 3knj n ALA 64 Cb 0.00 -1.59 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 3knj n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3knj n GLN 65 N 0.11 0.13 -2.94 0.00 1.13 -1.26 -3.81 117.38 110.75 3knj n GLN 65 Ca -0.02 0.05 -0.18 0.00 -1.94 0.00 0.00 57.00 54.90 3knj n GLN 65 Cb 0.74 -1.57 0.02 0.00 0.11 0.00 0.00 30.24 29.54 3knj n GLN 65 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3knj s PRO 66 N 1.21 2.70 0.82 -1.09 0.02 -1.26 -3.74 135.00 133.66 3knj s PRO 66 Ca 0.96 -1.20 -0.14 0.00 0.02 0.00 0.00 61.00 60.64 3knj s PRO 66 Cb -1.32 -2.69 0.04 0.00 0.02 0.00 0.00 34.50 30.55 3knj s PRO 66 CO 0.65 -0.43 0.84 2.41 -0.33 0.00 0.00 177.00 180.14 3knj n THR 67 N -2.00 1.51 0.38 0.99 -1.04 -1.11 -4.69 114.28 108.32 3knj n THR 67 Ca 0.09 -0.25 0.10 0.00 -2.04 0.00 0.00 64.05 61.94 3knj n THR 67 Cb 0.59 -0.94 0.43 0.00 -1.82 0.00 0.00 70.33 68.59 3knj n THR 67 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3knj n ASP 68 N -2.02 0.45 -0.12 8.00 8.00 -1.26 -1.26 116.55 128.34 3knj n ASP 68 Ca 0.11 0.62 -0.24 0.00 0.71 0.00 0.00 54.79 55.99 3knj n ASP 68 Cb 0.51 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 3knj n ASP 68 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3knj n THR 69 N -2.01 1.53 -0.04 -3.53 5.66 -1.26 -3.68 114.28 110.95 3knj n THR 69 Ca 0.02 -0.18 -0.14 0.00 -3.05 0.00 0.00 64.05 60.70 3knj n THR 69 Cb 0.18 -2.00 -0.09 0.00 -1.55 0.00 0.00 70.33 66.87 3knj n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3knj h ALA 70 N -0.78 -0.84 -0.73 1.79 0.00 -1.84 -0.71 119.26 116.15 3knj h ALA 70 Ca -0.49 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.54 3knj h ALA 70 Cb 1.40 1.03 -0.11 0.00 0.00 0.00 0.00 17.79 20.11 3knj h ALA 70 CO -0.30 -1.05 0.13 0.07 0.00 0.00 0.00 179.25 178.11 3knj h ARG 71 N -0.51 0.21 -0.53 0.00 0.11 -1.40 -0.77 114.38 111.50 3knj h ARG 71 Ca 0.04 -0.01 0.06 0.00 0.10 0.00 0.00 59.98 60.17 3knj h ARG 71 Cb 0.63 -0.05 -0.09 0.00 1.11 0.00 0.00 29.97 31.57 3knj h ARG 71 CO -0.46 0.14 -0.57 -0.09 0.10 0.00 0.00 179.97 179.10 3knj h ARG 72 N 0.22 -0.31 0.00 0.08 2.43 -1.21 1.10 114.38 116.69 3knj h ARG 72 Ca 0.41 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3knj h ARG 72 Cb 0.71 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3knj h ARG 72 CO -0.54 -0.20 0.26 -0.07 -1.51 0.00 0.00 179.97 177.90 3knj h LEU 73 N -0.32 0.00 0.00 3.80 3.38 -0.78 -0.69 115.31 120.70 3knj h LEU 73 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3knj h LEU 73 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3knj h LEU 73 CO -0.67 0.00 -0.00 -0.07 0.09 0.00 0.00 178.44 177.79 3knj h LEU 74 N 0.00 0.00 -0.78 1.67 3.38 0.14 -3.35 115.31 116.37 3knj h LEU 74 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3knj h LEU 74 Cb 0.51 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 3knj h LEU 74 CO 0.00 0.28 -0.37 -1.14 0.09 0.00 0.00 178.44 177.30 3knj n ARG 75 N -3.52 -0.25 -1.10 1.13 0.63 0.23 -0.70 116.66 113.09 3knj n ARG 75 Ca -0.00 1.20 -0.43 0.00 -0.92 0.00 0.00 57.85 57.70 3knj n ARG 75 Cb 0.00 -1.77 -0.06 0.00 0.45 0.00 0.00 32.46 31.08 3knj n ARG 75 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3knj n GLN 76 N -5.08 1.42 0.00 -0.14 7.27 -0.37 -0.86 117.38 119.61 3knj n GLN 76 Ca 0.05 -1.78 0.00 0.00 0.07 0.00 0.00 57.00 55.35 3knj n GLN 76 Cb 0.27 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 30.04 3knj n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knj n ALA 77 N 7.48 0.00 -4.06 1.69 0.00 0.12 -4.86 120.51 120.88 3knj n ALA 77 Ca 0.49 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.63 3knj n ALA 77 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 3knj n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knj n GLY 78 N 0.00 -0.35 0.00 0.00 0.00 -0.04 -4.87 105.19 99.93 3knj n GLY 78 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3knj n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knj n VAL 79 N -4.43 0.00 0.00 1.61 0.31 -1.21 -4.27 118.33 110.34 3knj n VAL 79 Ca -0.10 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3knj n VAL 79 Cb 0.58 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 3knj n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3knj n PHE 80 N -0.71 0.00 -2.03 3.52 3.01 -1.26 -4.69 117.46 115.30 3knj n PHE 80 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3knj n PHE 80 Cb 0.00 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.11 3knj n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3knj s ARG 81 N -2.64 4.27 -0.09 -1.08 3.52 -1.26 -4.94 118.95 116.73 3knj s ARG 81 Ca 0.00 2.25 -0.03 0.00 -0.13 0.00 0.00 55.73 57.83 3knj s ARG 81 Cb 0.00 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 3knj s ARG 81 CO 0.00 -0.48 -0.11 0.00 -0.81 0.00 0.00 175.30 173.90 3knj n GLN 82 N 3.37 0.21 0.00 5.12 0.00 -1.26 -5.06 117.38 119.77 3knj n GLN 82 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.18 3knj n GLN 82 Cb 0.40 -0.98 0.00 0.00 0.00 0.00 0.00 30.24 29.67 3knj n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3knj n GLU 83 N -3.17 0.00 0.00 2.61 -0.58 -1.26 -5.26 120.64 112.98 3knj n GLU 83 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3knj n GLU 83 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 3knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65