#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkd s LYS 2 N 0.00 3.50 0.33 2.89 0.00 -1.26 -4.54 119.74 120.66 1kkd s LYS 2 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 55.97 57.74 1kkd s LYS 2 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 37.83 33.64 1kkd s LYS 2 CO 0.00 -1.66 0.00 -0.11 0.00 0.00 0.00 175.35 173.58 1kkd n LEU 3 N 9.82 -1.99 -4.82 2.77 0.00 -1.26 -4.94 117.00 116.59 1kkd n LEU 3 Ca 0.23 1.95 -0.32 0.00 0.00 0.00 0.00 56.01 57.87 1kkd n LEU 3 Cb 0.45 -1.53 0.01 0.00 0.00 0.00 0.00 43.42 42.35 1kkd n LEU 3 CO 0.67 0.24 0.71 -0.70 0.00 0.00 0.00 177.39 178.30 1kkd s GLU 4 N -4.48 3.38 0.10 1.96 2.12 -1.26 -4.93 118.70 115.58 1kkd s GLU 4 Ca 0.00 1.09 -0.36 0.00 0.36 0.00 0.00 54.97 56.06 1kkd s GLU 4 Cb 0.00 -2.05 -0.17 0.00 0.26 0.00 0.00 34.13 32.18 1kkd s GLU 4 CO 0.00 -0.75 1.27 -0.11 -0.54 0.00 0.00 175.26 175.12 1kkd n LEU 5 N -2.18 1.43 -4.67 2.70 7.94 -1.26 -4.70 117.00 116.26 1kkd n LEU 5 Ca 0.08 1.13 -0.59 0.00 -1.11 0.00 0.00 56.01 55.52 1kkd n LEU 5 Cb 0.53 -1.17 -0.08 0.00 0.53 0.00 0.00 43.42 43.23 1kkd n LEU 5 CO 0.49 -1.20 1.36 0.35 -1.11 0.00 0.00 177.39 177.28 1kkd n THR 6 N 2.18 0.22 -1.79 1.96 -2.24 -1.26 -4.79 114.28 108.57 1kkd n THR 6 Ca 0.18 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 1kkd n THR 6 Cb 0.19 -1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 67.31 1kkd n THR 6 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1kkd s LYS 7 N 3.84 3.63 0.00 -0.78 -2.85 -1.26 -4.47 119.74 117.86 1kkd s LYS 7 Ca 1.02 2.08 0.00 0.00 -1.00 0.00 0.00 55.97 58.07 1kkd s LYS 7 Cb -1.16 -4.21 0.00 0.00 -2.06 0.00 0.00 37.83 30.40 1kkd s LYS 7 CO 0.68 -1.52 0.00 0.00 0.10 0.00 0.00 175.35 174.61 1kkd n ALA 8 N 9.45 0.00 -0.99 0.59 0.00 -1.26 -5.00 120.51 123.30 1kkd n ALA 8 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1kkd n ALA 8 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1kkd n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1kkd n GLU 9 N -1.25 -1.20 0.00 0.00 1.02 -1.26 -4.68 120.64 113.27 1kkd n GLU 9 Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1kkd n GLU 9 Cb 0.00 -4.23 0.00 0.00 -0.02 0.00 0.00 31.44 27.19 1kkd n GLU 9 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1kkd n LYS 10 N -0.57 0.00 -3.38 3.49 2.85 -1.26 -5.06 118.16 114.23 1kkd n LYS 10 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1kkd n LYS 10 Cb 0.30 -0.77 0.05 0.00 -0.65 0.00 0.00 35.03 33.96 1kkd n LYS 10 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1kkd n HIS 11 N -2.55 -2.35 -1.34 5.58 8.25 -1.26 -4.61 115.22 116.94 1kkd n HIS 11 Ca 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1kkd n HIS 11 Cb 0.43 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 27.68 1kkd n HIS 11 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1kkd n VAL 12 N -3.33 -4.43 -0.04 1.59 0.31 -1.26 -4.98 118.33 106.20 1kkd n VAL 12 Ca -0.08 1.91 -0.02 0.00 -0.01 0.00 0.00 64.34 66.14 1kkd n VAL 12 Cb 0.60 -2.75 -0.01 0.00 -0.91 0.00 0.00 33.84 30.77 1kkd n VAL 12 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1kkd h HIS 13 N 2.10 0.00 0.00 3.52 3.86 -2.03 -3.49 115.15 119.11 1kkd h HIS 13 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1kkd h HIS 13 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1kkd h HIS 13 CO 0.00 0.00 0.00 0.27 0.86 0.00 0.00 177.93 179.06 1kkd n ASN 14 N -3.77 0.00 -0.03 2.45 6.94 -1.26 -5.07 115.26 114.52 1kkd n ASN 14 Ca -0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.44 1kkd n ASN 14 Cb 0.14 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.53 1kkd n ASN 14 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1kkd n PHE 15 N 0.00 0.00 -0.08 -2.53 3.01 -1.26 -4.86 117.46 111.75 1kkd n PHE 15 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1kkd n PHE 15 Cb 0.00 -0.28 -0.08 0.00 -0.01 0.00 0.00 39.48 39.10 1kkd n PHE 15 CO 0.00 0.00 0.00 0.52 1.01 0.00 0.00 176.76 178.29 1kkd h MET 16 N -0.33 0.00 -3.30 -1.08 2.86 -2.03 -3.51 114.93 107.54 1kkd h MET 16 Ca -0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1kkd h MET 16 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1kkd h MET 16 CO -0.10 0.66 -0.69 -1.33 1.06 0.00 0.00 176.91 176.50 1kkd n MET 17 N -4.60 -3.99 -3.18 1.72 0.00 -1.26 -4.82 117.12 100.99 1kkd n MET 17 Ca -0.14 2.94 -0.09 0.00 0.00 0.00 0.00 57.70 60.42 1kkd n MET 17 Cb 0.41 -3.07 0.01 0.00 0.00 0.00 0.00 33.22 30.57 1kkd n MET 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1kkd n ASP 18 N 1.07 -6.58 -3.70 7.83 9.92 -1.26 -4.78 116.55 119.05 1kkd n ASP 18 Ca 0.00 0.42 -0.41 0.00 -0.53 0.00 0.00 54.79 54.27 1kkd n ASP 18 Cb 0.00 -2.22 0.00 0.00 -0.64 0.00 0.00 41.12 38.26 1kkd n ASP 18 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1kkd n THR 19 N 0.85 4.75 0.00 -3.53 -2.24 -1.26 -3.86 114.28 108.98 1kkd n THR 19 Ca -0.01 -4.38 0.00 0.00 -2.27 0.00 0.00 64.05 57.39 1kkd n THR 19 Cb 0.47 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 1kkd n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkd n GLN 20 N 2.90 0.00 -3.38 -0.78 6.02 -1.26 -5.08 117.38 115.80 1kkd n GLN 20 Ca 0.49 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.34 1kkd n GLN 20 Cb 0.31 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.48 1kkd n GLN 20 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1kkd s LEU 21 N -3.46 -0.41 -0.27 1.08 2.34 -1.25 -4.99 118.68 111.72 1kkd s LEU 21 Ca 0.00 -0.54 0.10 0.00 0.06 0.00 0.00 54.13 53.75 1kkd s LEU 21 Cb 0.00 0.71 0.49 0.00 -0.56 0.00 0.00 46.19 46.84 1kkd s LEU 21 CO 0.00 -0.37 1.43 1.07 -1.06 0.00 0.00 176.35 177.42 1kkd n THR 22 N 5.33 2.47 0.00 5.48 5.66 -1.26 -4.88 114.28 127.08 1kkd n THR 22 Ca -0.02 -2.67 0.00 0.00 -3.05 0.00 0.00 64.05 58.31 1kkd n THR 22 Cb 0.48 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1kkd n THR 22 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1kkd n LYS 23 N -1.07 2.74 0.00 1.09 3.00 -1.26 -5.08 118.16 117.58 1kkd n LYS 23 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1kkd n LYS 23 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.01 1kkd n LYS 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1kkd n ARG 24 N 0.00 0.00 -3.34 1.64 1.85 -1.26 -4.89 116.66 110.66 1kkd n ARG 24 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1kkd n ARG 24 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 1kkd n ARG 24 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1kkd n VAL 25 N 0.00 0.00 -2.76 8.89 3.14 -1.26 0.26 118.33 126.60 1kkd n VAL 25 Ca 0.00 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.27 1kkd n VAL 25 Cb 0.00 -0.30 0.05 0.00 -1.06 0.00 0.00 33.84 32.53 1kkd n VAL 25 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1kkd n LYS 26 N -2.70 -2.23 0.00 1.45 3.00 -1.26 -2.98 118.16 113.45 1kkd n LYS 26 Ca 0.07 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 1kkd n LYS 26 Cb 0.29 -4.54 0.00 0.00 0.00 0.00 0.00 35.03 30.78 1kkd n LYS 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1kkd n ASN 27 N -2.63 0.00 0.00 3.14 2.85 0.74 -4.33 115.26 115.03 1kkd n ASN 27 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1kkd n ASN 27 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1kkd n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kkd n ALA 28 N 0.00 0.00 -0.10 5.20 0.00 -0.07 -4.01 120.51 121.52 1kkd n ALA 28 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1kkd n ALA 28 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1kkd n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkd h ALA 29 N 0.00 0.24 -0.84 0.00 0.00 -1.86 -3.47 119.26 113.32 1kkd h ALA 29 Ca 0.00 -1.13 -0.27 0.00 0.00 0.00 0.00 54.91 53.51 1kkd h ALA 29 Cb 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1kkd h ALA 29 CO 0.00 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.64 1kkd n ALA 30 N -3.35 -0.20 -0.96 0.00 0.00 -1.26 0.16 120.51 114.90 1kkd n ALA 30 Ca -0.29 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1kkd n ALA 30 Cb 0.65 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1kkd n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kkd n ASN 31 N -0.87 -2.88 -2.13 0.00 2.85 -1.26 -3.53 115.26 107.45 1kkd n ASN 31 Ca -0.13 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.31 1kkd n ASN 31 Cb 0.54 -0.48 -0.00 0.00 1.24 0.00 0.00 39.78 41.08 1kkd n ASN 31 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1kkd n VAL 32 N -2.96 -0.12 -2.58 3.44 0.31 0.41 0.48 118.33 117.32 1kkd n VAL 32 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1kkd n VAL 32 Cb 0.00 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.49 1kkd n VAL 32 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1kkd n LEU 33 N -2.23 -0.10 0.00 7.52 7.94 -1.23 -3.54 117.00 125.35 1kkd n LEU 33 Ca -0.04 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1kkd n LEU 33 Cb 0.42 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.39 1kkd n LEU 33 CO 0.05 0.01 0.00 -1.14 -1.11 0.00 0.00 177.39 175.20 1kkd n ARG 34 N -2.46 0.00 -0.72 1.96 0.63 0.11 -5.09 116.66 111.08 1kkd n ARG 34 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1kkd n ARG 34 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 1kkd n ARG 34 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1kkd n GLU 35 N -0.34 0.00 0.01 -0.14 1.02 0.18 -4.96 120.64 116.41 1kkd n GLU 35 Ca 0.00 0.24 0.06 0.00 -0.02 0.00 0.00 57.16 57.44 1kkd n GLU 35 Cb 0.00 -0.60 -0.11 0.00 -0.02 0.00 0.00 31.44 30.71 1kkd n GLU 35 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1kkd n THR 36 N -0.12 0.57 0.77 2.62 -1.04 -1.26 -3.05 114.28 112.76 1kkd n THR 36 Ca 0.00 -0.60 0.12 0.00 -2.04 0.00 0.00 64.05 61.54 1kkd n THR 36 Cb 0.00 -0.28 0.30 0.00 -1.82 0.00 0.00 70.33 68.53 1kkd n THR 36 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1kkd n TRP 37 N -2.54 0.37 -0.05 -1.42 7.02 -1.26 -1.12 117.44 118.44 1kkd n TRP 37 Ca -0.08 0.11 -0.15 0.00 -1.02 0.00 0.00 57.50 56.36 1kkd n TRP 37 Cb 0.70 -0.56 -0.14 0.00 -2.42 0.00 0.00 31.31 28.89 1kkd n TRP 37 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1kkd n LEU 38 N -1.87 1.65 0.10 -0.99 7.99 -1.25 -4.28 117.00 118.35 1kkd n LEU 38 Ca 0.05 0.18 -0.20 0.00 -0.01 0.00 0.00 56.01 56.03 1kkd n LEU 38 Cb 0.39 -0.38 -0.15 0.00 -0.11 0.00 0.00 43.42 43.18 1kkd n LEU 38 CO 0.34 0.65 -0.27 0.16 -1.51 0.00 0.00 177.39 176.76 1kkd h ILE 39 N 0.02 1.24 -2.30 -0.08 -0.00 -1.60 -3.50 117.51 111.29 1kkd h ILE 39 Ca -0.43 -2.79 0.27 0.00 -0.00 0.00 0.00 64.86 61.91 1kkd h ILE 39 Cb 2.04 2.88 -0.07 0.00 -0.00 0.00 0.00 36.82 41.67 1kkd h ILE 39 CO 0.04 0.84 -0.42 -1.22 -0.00 0.00 0.00 178.15 177.40 1kkd n TYR 40 N -3.57 -2.51 -0.22 0.16 4.02 -0.28 -4.15 117.16 110.62 1kkd n TYR 40 Ca -0.16 1.26 -0.08 0.00 -0.01 0.00 0.00 57.90 58.92 1kkd n TYR 40 Cb 1.06 -2.28 0.03 0.00 -0.02 0.00 0.00 39.34 38.14 1kkd n TYR 40 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1kkd h LYS 41 N -1.00 0.97 -4.84 -0.72 5.09 -1.97 -3.49 116.57 110.61 1kkd h LYS 41 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 60.65 60.54 1kkd h LYS 41 Cb 1.24 -0.14 -0.05 0.00 0.10 0.00 0.00 32.23 33.38 1kkd h LYS 41 CO 0.01 0.85 -1.12 -1.71 -2.09 0.00 0.00 179.45 175.39 1kkd n ASN 42 N -4.38 -5.74 -4.41 7.07 5.15 -1.26 -4.55 115.26 107.14 1kkd n ASN 42 Ca 0.04 1.62 -0.48 0.00 -0.60 0.00 0.00 54.58 55.16 1kkd n ASN 42 Cb 0.21 -4.92 -0.13 0.00 -0.53 0.00 0.00 39.78 34.41 1kkd n ASN 42 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1kkd n THR 43 N 1.85 0.01 -1.59 -0.44 -1.04 -1.26 -4.73 114.28 107.08 1kkd n THR 43 Ca -0.15 -0.06 -0.47 0.00 -2.04 0.00 0.00 64.05 61.33 1kkd n THR 43 Cb 0.24 -0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 1kkd n THR 43 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1kkd n LYS 44 N 8.14 1.89 -2.52 -2.82 2.85 -1.26 -4.85 118.16 119.58 1kkd n LYS 44 Ca 0.59 0.60 -0.37 0.00 -1.05 0.00 0.00 58.31 58.08 1kkd n LYS 44 Cb 0.05 -2.84 0.01 0.00 -0.65 0.00 0.00 35.03 31.59 1kkd n LYS 44 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 1kkd n LEU 45 N 9.34 6.62 -3.27 -5.58 -0.00 -1.26 -4.36 117.00 118.49 1kkd n LEU 45 Ca 0.30 -5.31 -0.25 0.00 -0.00 0.00 0.00 56.01 50.75 1kkd n LEU 45 Cb 0.34 -0.97 -0.08 0.00 -0.00 0.00 0.00 43.42 42.72 1kkd n LEU 45 CO 0.71 2.06 -0.22 0.55 -0.00 0.00 0.00 177.39 180.49 1kkd n VAL 46 N -0.24 -0.08 -3.17 1.47 3.14 -1.26 -4.87 118.33 113.32 1kkd n VAL 46 Ca 0.45 -4.22 -0.15 0.00 -2.96 0.00 0.00 64.34 57.46 1kkd n VAL 46 Cb 0.31 -1.97 0.06 0.00 -1.06 0.00 0.00 33.84 31.18 1kkd n VAL 46 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1kkd n LYS 47 N 1.43 -5.21 -0.23 1.45 5.02 -1.26 -4.99 118.16 114.38 1kkd n LYS 47 Ca 0.24 0.58 -0.15 0.00 -2.02 0.00 0.00 58.31 56.96 1kkd n LYS 47 Cb 0.50 -4.84 0.15 0.00 -0.02 0.00 0.00 35.03 30.81 1kkd n LYS 47 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1kkd n LYS 48 N -3.47 -2.45 -0.30 1.97 2.85 -1.26 -4.94 118.16 110.56 1kkd n LYS 48 Ca -0.07 -0.72 -0.27 0.00 -1.05 0.00 0.00 58.31 56.20 1kkd n LYS 48 Cb 0.57 -1.09 0.26 0.00 -0.65 0.00 0.00 35.03 34.12 1kkd n LYS 48 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1kkd n ILE 49 N -4.31 0.00 -1.90 0.58 -6.64 -1.26 -4.78 119.36 101.05 1kkd n ILE 49 Ca 0.07 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 61.02 1kkd n ILE 49 Cb 0.30 -0.88 0.00 0.00 -1.44 0.00 0.00 39.64 37.62 1kkd n ILE 49 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1kkd n ASP 50 N -4.77 -8.68 -0.07 7.28 2.03 -1.26 -4.99 116.55 106.09 1kkd n ASP 50 Ca 0.12 1.28 -0.11 0.00 0.52 0.00 0.00 54.79 56.60 1kkd n ASP 50 Cb 0.54 -4.77 -0.07 0.00 -0.72 0.00 0.00 41.12 36.10 1kkd n ASP 50 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1kkd n HIS 51 N 1.37 0.00 -1.54 -0.67 -0.00 -1.26 -5.09 115.22 108.02 1kkd n HIS 51 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 1kkd n HIS 51 Cb 0.00 -0.56 -0.01 0.00 -0.12 0.00 0.00 29.99 29.30 1kkd n HIS 51 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1kkd n ALA 52 N -3.07 -2.11 0.00 1.57 0.00 -1.26 -4.56 120.51 111.07 1kkd n ALA 52 Ca -0.27 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1kkd n ALA 52 Cb 0.76 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1kkd n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1kkd n LYS 53 N -2.77 0.00 -3.91 0.00 3.00 -1.26 -4.66 118.16 108.56 1kkd n LYS 53 Ca -0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.93 1kkd n LYS 53 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.55 1kkd n LYS 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1kkd n VAL 54 N 0.00 -3.64 -3.37 3.15 0.31 -1.26 -4.93 118.33 108.59 1kkd n VAL 54 Ca 0.00 -0.49 -0.26 0.00 -0.01 0.00 0.00 64.34 63.58 1kkd n VAL 54 Cb 0.00 -2.95 -0.10 0.00 -0.91 0.00 0.00 33.84 29.89 1kkd n VAL 54 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1kkd s ARG 55 N -6.40 0.87 -1.56 5.55 3.00 -1.26 -5.02 118.95 114.13 1kkd s ARG 55 Ca 0.34 -1.99 -0.11 0.00 0.00 0.00 0.00 55.73 53.97 1kkd s ARG 55 Cb -0.18 -1.34 -0.04 0.00 0.00 0.00 0.00 34.95 33.39 1kkd s ARG 55 CO 0.93 -1.37 2.69 1.63 0.00 0.00 0.00 175.30 179.18 1kkd n LYS 56 N 2.97 3.40 0.00 3.54 5.02 -1.26 -4.58 118.16 127.25 1kkd n LYS 56 Ca 0.28 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 1kkd n LYS 56 Cb 0.47 -2.98 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 1kkd n LYS 56 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kkd n HIS 57 N 4.48 0.00 -4.09 2.13 8.25 -1.26 -5.18 115.22 119.55 1kkd n HIS 57 Ca 0.69 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 58.03 1kkd n HIS 57 Cb 0.29 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.34 1kkd n HIS 57 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1kkd s GLN 58 N 0.00 1.58 -0.56 -0.41 -2.07 -1.26 -5.00 119.66 111.94 1kkd s GLN 58 Ca 0.00 -1.53 -0.01 0.00 -1.82 0.00 0.00 55.36 52.00 1kkd s GLN 58 Cb 0.00 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.32 1kkd s GLN 58 CO 0.00 -0.62 0.53 0.54 -1.32 0.00 0.00 175.29 174.41 1kkd n ARG 59 N -0.42 -1.04 -3.38 9.60 1.74 -1.26 -5.00 116.66 116.91 1kkd n ARG 59 Ca 0.00 1.15 -0.38 0.00 -0.77 0.00 0.00 57.85 57.85 1kkd n ARG 59 Cb 0.63 -4.59 -0.06 0.00 -1.02 0.00 0.00 32.46 27.42 1kkd n ARG 59 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kkd s LYS 60 N -3.12 4.11 -0.39 5.56 3.01 -1.26 -5.04 119.74 122.61 1kkd s LYS 60 Ca 0.04 0.54 0.08 0.00 -1.01 0.00 0.00 55.97 55.62 1kkd s LYS 60 Cb -0.01 -3.28 0.18 0.00 -1.01 0.00 0.00 37.83 33.72 1kkd s LYS 60 CO 0.54 0.55 0.62 -0.06 0.51 0.00 0.00 175.35 177.52 1kkd s PHE 61 N -0.70 -1.76 0.00 3.18 0.08 -1.26 -4.97 117.98 112.55 1kkd s PHE 61 Ca 0.26 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.71 1kkd s PHE 61 Cb -0.17 0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.60 1kkd s PHE 61 CO 0.15 -1.16 0.00 1.47 -0.10 0.00 0.00 175.22 175.57 1kkd n LEU 62 N 4.58 0.00 0.00 -0.37 -0.00 -1.26 -5.15 117.00 114.80 1kkd n LEU 62 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1kkd n LEU 62 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1kkd n LEU 62 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1kkd n GLN 63 N 0.00 0.00 -1.76 1.47 10.64 -1.26 -4.95 117.38 121.52 1kkd n GLN 63 Ca 0.00 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 1kkd n GLN 63 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 1kkd n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kkd n ALA 64 N 2.06 -3.16 0.28 2.61 0.00 -1.26 -4.88 120.51 116.16 1kkd n ALA 64 Ca 0.00 0.48 0.16 0.00 0.00 0.00 0.00 53.44 54.09 1kkd n ALA 64 Cb 0.00 -0.94 0.73 0.00 0.00 0.00 0.00 19.45 19.24 1kkd n ALA 64 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1kkd h ILE 65 N 0.90 0.16 -2.80 0.00 -2.65 -2.03 -3.24 117.51 107.84 1kkd h ILE 65 Ca -0.11 -0.54 -0.76 0.00 1.03 0.00 0.00 64.86 64.48 1kkd h ILE 65 Cb 0.24 1.46 -0.31 0.00 -2.05 0.00 0.00 36.82 36.16 1kkd h ILE 65 CO 0.01 0.05 0.48 1.57 0.03 0.00 0.00 178.15 180.28 1kkd n HIS 66 N -3.20 2.68 -1.15 0.16 -0.00 -1.26 -4.90 115.22 107.55 1kkd n HIS 66 Ca -0.00 -2.98 -0.29 0.00 0.46 0.00 0.00 57.72 54.91 1kkd n HIS 66 Cb 0.28 -1.13 -0.07 0.00 -0.12 0.00 0.00 29.99 28.96 1kkd n HIS 66 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1kkd n GLN 67 N 1.29 3.02 -1.01 1.57 6.02 -1.23 -4.91 117.38 122.13 1kkd n GLN 67 Ca 0.27 -1.76 0.13 0.00 -0.01 0.00 0.00 57.00 55.62 1kkd n GLN 67 Cb 0.35 -2.53 -0.04 0.00 1.02 0.00 0.00 30.24 29.05 1kkd n GLN 67 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1kkd n LEU 68 N 3.34 -0.50 -2.65 1.08 4.77 -1.26 -4.95 117.00 116.82 1kkd n LEU 68 Ca 0.64 1.12 -0.02 0.00 -0.03 0.00 0.00 56.01 57.72 1kkd n LEU 68 Cb 0.40 -3.24 0.03 0.00 -2.33 0.00 0.00 43.42 38.29 1kkd n LEU 68 CO 0.63 -2.50 0.56 -0.13 -1.33 0.00 0.00 177.39 174.62 1kkd s ARG 69 N -2.14 0.02 -0.29 3.23 0.52 -1.26 -5.15 118.95 113.88 1kkd s ARG 69 Ca 0.00 -0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.03 1kkd s ARG 69 Cb 0.00 -0.00 0.16 0.00 0.52 0.00 0.00 34.95 35.63 1kkd s ARG 69 CO 0.00 -0.03 1.05 0.45 0.02 0.00 0.00 175.30 176.79 1kkd s SER 70 N 1.16 -0.42 -1.26 0.23 0.15 -1.26 -5.05 113.70 107.24 1kkd s SER 70 Ca 0.21 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.45 1kkd s SER 70 Cb 0.14 1.27 0.16 0.00 -1.71 0.00 0.00 66.02 65.88 1kkd s SER 70 CO -0.13 -0.10 2.25 0.52 1.20 0.00 0.00 173.24 176.98 1kkd n VAL 71 N 3.94 5.38 -3.83 4.45 0.31 -1.26 -4.76 118.33 122.57 1kkd n VAL 71 Ca -0.15 -4.66 -0.29 0.00 -0.01 0.00 0.00 64.34 59.23 1kkd n VAL 71 Cb 0.56 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1kkd n VAL 71 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1kkd n LYS 72 N 1.47 -1.23 -0.11 5.55 5.02 -1.26 -4.89 118.16 122.70 1kkd n LYS 72 Ca 0.58 0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 57.31 1kkd n LYS 72 Cb 0.25 -2.53 -0.12 0.00 -0.02 0.00 0.00 35.03 32.61 1kkd n LYS 72 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1kkd n MET 73 N -3.19 0.66 -1.89 1.97 2.81 -1.26 -5.10 117.12 111.12 1kkd n MET 73 Ca -0.26 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1kkd n MET 73 Cb 0.65 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1kkd n MET 73 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1kkd n GLU 74 N -3.35 -5.22 -2.89 0.03 -0.58 -1.26 -4.83 120.64 102.54 1kkd n GLU 74 Ca -0.45 3.74 -0.42 0.00 -0.42 0.00 0.00 57.16 59.61 1kkd n GLU 74 Cb 0.99 -4.08 -0.05 0.00 -0.57 0.00 0.00 31.44 27.74 1kkd n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1kkd s GLN 75 N -1.66 3.77 0.08 3.49 -0.21 -1.26 -4.68 119.66 119.20 1kkd s GLN 75 Ca 0.00 0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.78 1kkd s GLN 75 Cb 0.00 -3.82 0.00 0.00 1.00 0.00 0.00 33.01 30.19 1kkd s GLN 75 CO 0.00 -0.91 0.00 0.54 -2.12 0.00 0.00 175.29 172.80 1kkd n ARG 76 N 6.60 -5.12 0.00 2.91 1.74 -1.26 -5.01 116.66 116.51 1kkd n ARG 76 Ca 0.05 3.67 0.00 0.00 -0.77 0.00 0.00 57.85 60.80 1kkd n ARG 76 Cb 0.48 -4.40 0.00 0.00 -1.02 0.00 0.00 32.46 27.52 1kkd n ARG 76 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kkd n LYS 77 N 1.90 0.00 -3.96 5.56 4.76 -1.26 -5.07 118.16 120.09 1kkd n LYS 77 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1kkd n LYS 77 Cb 0.00 -0.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.83 1kkd n LYS 77 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 1kkd n LEU 78 N -0.74 0.00 -4.50 -0.35 -0.00 -1.26 -4.89 117.00 105.26 1kkd n LEU 78 Ca 0.00 -2.84 -0.42 0.00 -0.00 0.00 0.00 56.01 52.76 1kkd n LEU 78 Cb 0.00 2.29 -0.07 0.00 -0.00 0.00 0.00 43.42 45.64 1kkd n LEU 78 CO 0.00 -0.61 -0.15 0.59 -0.00 0.00 0.00 177.39 177.22 1kkd n ASN 79 N -1.66 -1.95 -3.66 1.45 3.02 -1.26 -4.88 115.26 106.32 1kkd n ASN 79 Ca 0.02 -1.22 -0.24 0.00 -0.03 0.00 0.00 54.58 53.12 1kkd n ASN 79 Cb 0.57 -1.76 -0.17 0.00 -0.61 0.00 0.00 39.78 37.81 1kkd n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kkd s ASP 80 N -3.29 1.92 0.00 6.41 -1.08 -1.26 -4.96 116.67 114.40 1kkd s ASP 80 Ca 0.80 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 52.49 1kkd s ASP 80 Cb -0.46 -0.27 0.00 0.00 -1.46 0.00 0.00 42.92 40.73 1kkd s ASP 80 CO 1.01 -0.29 0.00 0.00 0.52 0.00 0.00 175.17 176.41 1kkd n GLN 81 N 5.24 0.00 -2.55 4.34 10.64 -1.26 -4.92 117.38 128.88 1kkd n GLN 81 Ca -0.06 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.85 1kkd n GLN 81 Cb 0.49 -0.17 -0.00 0.00 -0.86 0.00 0.00 30.24 29.70 1kkd n GLN 81 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kkd n ALA 82 N -2.12 4.96 -0.61 2.61 0.00 -1.26 -5.00 120.51 119.09 1kkd n ALA 82 Ca 0.00 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.10 1kkd n ALA 82 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1kkd n ALA 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kkd n ASN 83 N -0.43 0.00 -3.96 0.00 3.02 -1.26 -4.78 115.26 107.85 1kkd n ASN 83 Ca 0.37 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.53 1kkd n ASN 83 Cb 0.63 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1kkd n ASN 83 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1kkd n THR 84 N 0.00 -3.18 0.00 3.41 -2.24 -1.26 -4.60 114.28 106.41 1kkd n THR 84 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1kkd n THR 84 Cb 0.00 -2.66 0.00 0.00 -2.10 0.00 0.00 70.33 65.57 1kkd n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkd n LEU 85 N -4.21 0.00 -2.96 3.22 -0.00 -1.26 -4.95 117.00 106.84 1kkd n LEU 85 Ca -0.18 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.55 1kkd n LEU 85 Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.99 1kkd n LEU 85 CO 0.71 0.00 0.27 0.52 -0.00 0.00 0.00 177.39 178.89 1kkd n VAL 86 N -0.57 3.28 0.00 1.47 0.31 -1.26 -4.57 118.33 116.99 1kkd n VAL 86 Ca 0.00 -5.55 0.00 0.00 -0.01 0.00 0.00 64.34 58.78 1kkd n VAL 86 Cb 0.00 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1kkd n VAL 86 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kkd n ASP 87 N -0.26 0.00 0.00 4.52 5.68 -1.26 -4.91 116.55 120.32 1kkd n ASP 87 Ca 0.33 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.72 1kkd n ASP 87 Cb 0.40 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 40.98 1kkd n ASP 87 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kkd n LEU 88 N 0.00 0.00 -0.05 -2.12 -0.00 -1.26 -3.22 117.00 110.34 1kkd n LEU 88 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1kkd n LEU 88 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1kkd n LEU 88 CO 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 177.39 177.70 1kkd h ALA 89 N 3.45 -0.02 -1.32 1.47 0.00 -1.91 -3.50 119.26 117.43 1kkd h ALA 89 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1kkd h ALA 89 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1kkd h ALA 89 CO 0.00 -0.03 -0.05 1.63 0.00 0.00 0.00 179.25 180.80 1kkd n LYS 90 N -4.68 -0.28 0.01 0.00 4.76 -1.20 -3.36 118.16 113.41 1kkd n LYS 90 Ca -0.07 0.18 0.05 0.00 -2.87 0.00 0.00 58.31 55.60 1kkd n LYS 90 Cb 0.34 -0.34 0.23 0.00 -1.84 0.00 0.00 35.03 33.42 1kkd n LYS 90 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1kkd n THR 91 N -1.48 1.31 -0.54 -0.18 5.66 -1.26 -5.09 114.28 112.70 1kkd n THR 91 Ca 0.00 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1kkd n THR 91 Cb 0.06 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.66 1kkd n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02